USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 40 LYS NZ :NH3+ -121:sc= 0.0972 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -0.0512 X(o=0.046,f=-0.044) USER MOD Single : A 1 GLU N :NH3+ 167:sc= -0.0444 (180deg=-0.328) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.0015) USER MOD Single : A 10 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-1.3) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0666 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 92:sc= -0.733 USER MOD Single : A 21 SER OG : rot -62:sc= 0.681 USER MOD Single : A 24 SER OG : rot 112:sc= -0.6 USER MOD Single : A 26 ASN : amide:sc= -0.589 K(o=-0.59,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -5.94 K(o=-5.9,f=-7.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0585 X(o=-0.059,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.00617 (180deg=-0.0419) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.48) USER MOD Single : A 63 HIS : no HE2:sc= 0.368 K(o=0.37,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 91:sc= 0.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -80:sc= -0.0862 USER MOD Single : A 93 GLN : amide:sc= -1.85 K(o=-1.9,f=-6.3!) USER MOD Single : A 95 SER OG : rot 78:sc= 1.18 USER MOD Single : A 96 SER OG : rot -63:sc= 0.312 USER MOD Single : A 101 LYS NZ :NH3+ 139:sc= 0.359 (180deg=-0.982!) USER MOD Single : A 104 HIS : no HD1:sc= -0.689 K(o=-0.69,f=-1.7) USER MOD Single : A 106 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.0086) USER MOD Single : A 108 SER OG : rot 15:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.554 26.101 -12.325 1.00 0.00 N ATOM 2 CA GLU A 1 -22.025 25.477 -13.571 1.00 0.00 C ATOM 3 C GLU A 1 -20.535 25.197 -13.398 1.00 0.00 C ATOM 4 O GLU A 1 -19.757 25.284 -14.349 1.00 0.00 O ATOM 5 CB GLU A 1 -22.225 26.393 -14.781 1.00 0.00 C ATOM 6 CG GLU A 1 -22.338 25.548 -16.051 1.00 0.00 C ATOM 7 CD GLU A 1 -23.703 24.870 -16.092 1.00 0.00 C ATOM 8 OE1 GLU A 1 -23.839 23.820 -15.484 1.00 0.00 O ATOM 9 OE2 GLU A 1 -24.591 25.408 -16.732 1.00 0.00 O ATOM 0 H1 GLU A 1 -23.500 26.493 -12.508 1.00 0.00 H new ATOM 0 H2 GLU A 1 -22.616 25.382 -11.576 1.00 0.00 H new ATOM 0 H3 GLU A 1 -21.916 26.864 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 1 -22.571 24.550 -13.748 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -23.125 26.994 -14.650 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -21.389 27.087 -14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -22.206 26.177 -16.932 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.547 24.798 -16.073 1.00 0.00 H new ATOM 18 N THR A 2 -20.146 24.860 -12.171 1.00 0.00 N ATOM 19 CA THR A 2 -18.745 24.569 -11.879 1.00 0.00 C ATOM 20 C THR A 2 -18.521 23.054 -11.815 1.00 0.00 C ATOM 21 O THR A 2 -19.333 22.329 -11.240 1.00 0.00 O ATOM 22 CB THR A 2 -18.342 25.190 -10.540 1.00 0.00 C ATOM 23 OG1 THR A 2 -18.782 26.541 -10.496 1.00 0.00 O ATOM 24 CG2 THR A 2 -16.821 25.142 -10.385 1.00 0.00 C ATOM 0 H THR A 2 -20.773 24.782 -11.371 1.00 0.00 H new ATOM 0 HA THR A 2 -18.134 24.995 -12.675 1.00 0.00 H new ATOM 0 HB THR A 2 -18.803 24.629 -9.727 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.526 26.940 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.538 25.585 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.484 24.106 -10.418 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.355 25.701 -11.196 1.00 0.00 H new ATOM 32 N PRO A 3 -17.423 22.552 -12.402 1.00 0.00 N ATOM 33 CA PRO A 3 -17.122 21.112 -12.394 1.00 0.00 C ATOM 34 C PRO A 3 -16.698 20.615 -11.016 1.00 0.00 C ATOM 35 O PRO A 3 -15.605 20.922 -10.537 1.00 0.00 O ATOM 36 CB PRO A 3 -15.975 20.969 -13.391 1.00 0.00 C ATOM 37 CG PRO A 3 -15.317 22.304 -13.418 1.00 0.00 C ATOM 38 CD PRO A 3 -16.383 23.317 -13.118 1.00 0.00 C ATOM 0 HA PRO A 3 -17.998 20.518 -12.654 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.277 20.192 -13.080 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.343 20.691 -14.378 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.516 22.355 -12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.866 22.494 -14.392 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.996 24.132 -12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.776 23.763 -14.032 1.00 0.00 H new ATOM 46 N ARG A 4 -17.576 19.840 -10.382 1.00 0.00 N ATOM 47 CA ARG A 4 -17.285 19.302 -9.056 1.00 0.00 C ATOM 48 C ARG A 4 -16.435 18.040 -9.170 1.00 0.00 C ATOM 49 O ARG A 4 -16.669 17.191 -10.029 1.00 0.00 O ATOM 50 CB ARG A 4 -18.583 18.965 -8.318 1.00 0.00 C ATOM 51 CG ARG A 4 -19.282 20.260 -7.893 1.00 0.00 C ATOM 52 CD ARG A 4 -19.959 20.059 -6.537 1.00 0.00 C ATOM 53 NE ARG A 4 -19.087 20.508 -5.454 1.00 0.00 N ATOM 54 CZ ARG A 4 -18.442 19.633 -4.686 1.00 0.00 C ATOM 55 NH1 ARG A 4 -19.111 18.849 -3.886 1.00 0.00 N ATOM 56 NH2 ARG A 4 -17.140 19.560 -4.734 1.00 0.00 N ATOM 0 H ARG A 4 -18.485 19.573 -10.760 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.737 20.060 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.239 18.380 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.367 18.352 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -18.558 21.072 -7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -20.021 20.548 -8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -20.898 20.612 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -20.205 19.006 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.971 21.507 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -20.129 18.906 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.616 18.179 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.618 20.173 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.645 18.890 -4.146 1.00 0.00 H new ATOM 70 N GLU A 5 -15.443 17.930 -8.290 1.00 0.00 N ATOM 71 CA GLU A 5 -14.557 16.769 -8.297 1.00 0.00 C ATOM 72 C GLU A 5 -15.344 15.496 -7.998 1.00 0.00 C ATOM 73 O GLU A 5 -15.088 14.440 -8.578 1.00 0.00 O ATOM 74 CB GLU A 5 -13.455 16.931 -7.250 1.00 0.00 C ATOM 75 CG GLU A 5 -12.355 15.895 -7.500 1.00 0.00 C ATOM 76 CD GLU A 5 -11.040 16.397 -6.915 1.00 0.00 C ATOM 77 OE1 GLU A 5 -10.624 17.483 -7.288 1.00 0.00 O ATOM 78 OE2 GLU A 5 -10.467 15.689 -6.103 1.00 0.00 O ATOM 0 H GLU A 5 -15.234 18.622 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.108 16.694 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.039 17.937 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.868 16.804 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.628 14.943 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.245 15.717 -8.570 1.00 0.00 H new ATOM 85 N LYS A 6 -16.304 15.608 -7.085 1.00 0.00 N ATOM 86 CA LYS A 6 -17.126 14.460 -6.711 1.00 0.00 C ATOM 87 C LYS A 6 -17.910 13.951 -7.917 1.00 0.00 C ATOM 88 O LYS A 6 -17.850 14.530 -9.000 1.00 0.00 O ATOM 89 CB LYS A 6 -18.106 14.842 -5.602 1.00 0.00 C ATOM 90 CG LYS A 6 -17.339 15.469 -4.435 1.00 0.00 C ATOM 91 CD LYS A 6 -18.237 15.518 -3.197 1.00 0.00 C ATOM 92 CE LYS A 6 -17.976 14.287 -2.327 1.00 0.00 C ATOM 93 NZ LYS A 6 -18.513 14.471 -0.949 1.00 0.00 N ATOM 0 H LYS A 6 -16.531 16.473 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.463 13.673 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.847 15.545 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.649 13.960 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.441 14.888 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.013 16.475 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.040 16.427 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.285 15.550 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.437 13.412 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.904 14.094 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.320 13.619 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.055 15.292 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.540 14.630 -0.995 1.00 0.00 H new ATOM 107 N LEU A 7 -18.645 12.859 -7.708 1.00 0.00 N ATOM 108 CA LEU A 7 -19.449 12.257 -8.774 1.00 0.00 C ATOM 109 C LEU A 7 -18.552 11.754 -9.908 1.00 0.00 C ATOM 110 O LEU A 7 -18.273 10.560 -10.008 1.00 0.00 O ATOM 111 CB LEU A 7 -20.464 13.268 -9.326 1.00 0.00 C ATOM 112 CG LEU A 7 -21.822 13.286 -8.620 1.00 0.00 C ATOM 113 CD1 LEU A 7 -22.519 11.939 -8.819 1.00 0.00 C ATOM 114 CD2 LEU A 7 -21.613 13.535 -7.124 1.00 0.00 C ATOM 0 H LEU A 7 -18.701 12.373 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.990 11.411 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.028 14.265 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -20.626 13.055 -10.383 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.440 14.080 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -23.486 11.952 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -22.666 11.759 -9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.902 11.145 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -22.579 13.548 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.996 12.740 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -21.115 14.494 -6.981 1.00 0.00 H new ATOM 126 N LYS A 8 -18.105 12.675 -10.759 1.00 0.00 N ATOM 127 CA LYS A 8 -17.242 12.311 -11.880 1.00 0.00 C ATOM 128 C LYS A 8 -15.932 11.712 -11.364 1.00 0.00 C ATOM 129 O LYS A 8 -15.820 11.346 -10.194 1.00 0.00 O ATOM 130 CB LYS A 8 -16.941 13.546 -12.739 1.00 0.00 C ATOM 131 CG LYS A 8 -16.974 13.166 -14.222 1.00 0.00 C ATOM 132 CD LYS A 8 -15.963 14.017 -14.991 1.00 0.00 C ATOM 133 CE LYS A 8 -16.479 15.453 -15.098 1.00 0.00 C ATOM 134 NZ LYS A 8 -15.457 16.354 -15.703 1.00 0.00 N ATOM 0 H LYS A 8 -18.323 13.669 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.758 11.569 -12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.674 14.328 -12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.963 13.951 -12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.740 12.108 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.975 13.319 -14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.999 14.003 -14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.805 13.601 -15.986 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.386 15.471 -15.702 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.749 15.819 -14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.837 17.320 -15.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.601 16.354 -15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.219 16.017 -16.658 1.00 0.00 H new ATOM 148 N GLN A 9 -14.940 11.616 -12.252 1.00 0.00 N ATOM 149 CA GLN A 9 -13.638 11.059 -11.879 1.00 0.00 C ATOM 150 C GLN A 9 -13.773 9.585 -11.513 1.00 0.00 C ATOM 151 O GLN A 9 -14.877 9.047 -11.435 1.00 0.00 O ATOM 152 CB GLN A 9 -13.038 11.818 -10.692 1.00 0.00 C ATOM 153 CG GLN A 9 -11.512 11.841 -10.817 1.00 0.00 C ATOM 154 CD GLN A 9 -10.976 13.161 -10.270 1.00 0.00 C ATOM 155 OE1 GLN A 9 -10.174 13.172 -9.336 1.00 0.00 O ATOM 156 NE2 GLN A 9 -11.375 14.283 -10.803 1.00 0.00 N ATOM 0 H GLN A 9 -15.012 11.913 -13.225 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.976 11.162 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -13.426 12.836 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -13.329 11.340 -9.757 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.079 11.005 -10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.220 11.722 -11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.039 14.272 -11.577 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.022 15.171 -10.446 1.00 0.00 H new ATOM 165 N HIS A 10 -12.632 8.937 -11.293 1.00 0.00 N ATOM 166 CA HIS A 10 -12.625 7.520 -10.940 1.00 0.00 C ATOM 167 C HIS A 10 -12.187 7.333 -9.489 1.00 0.00 C ATOM 168 O HIS A 10 -11.989 8.301 -8.755 1.00 0.00 O ATOM 169 CB HIS A 10 -11.671 6.749 -11.859 1.00 0.00 C ATOM 170 CG HIS A 10 -12.437 6.197 -13.031 1.00 0.00 C ATOM 171 ND1 HIS A 10 -13.239 5.070 -12.926 1.00 0.00 N ATOM 172 CD2 HIS A 10 -12.535 6.604 -14.338 1.00 0.00 C ATOM 173 CE1 HIS A 10 -13.779 4.842 -14.137 1.00 0.00 C ATOM 174 NE2 HIS A 10 -13.382 5.748 -15.035 1.00 0.00 N ATOM 0 H HIS A 10 -11.708 9.366 -11.352 1.00 0.00 H new ATOM 0 HA HIS A 10 -13.637 7.134 -11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -10.875 7.407 -12.209 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.195 5.938 -11.308 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.031 7.460 -14.762 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -14.452 4.026 -14.356 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.643 5.801 -16.019 1.00 0.00 H new ATOM 182 N SER A 11 -12.042 6.070 -9.084 1.00 0.00 N ATOM 183 CA SER A 11 -11.631 5.749 -7.716 1.00 0.00 C ATOM 184 C SER A 11 -12.696 6.185 -6.708 1.00 0.00 C ATOM 185 O SER A 11 -12.399 6.408 -5.534 1.00 0.00 O ATOM 186 CB SER A 11 -10.307 6.438 -7.370 1.00 0.00 C ATOM 187 OG SER A 11 -9.489 6.493 -8.531 1.00 0.00 O ATOM 0 H SER A 11 -12.202 5.257 -9.679 1.00 0.00 H new ATOM 0 HA SER A 11 -11.503 4.668 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.494 7.444 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.796 5.892 -6.577 1.00 0.00 H new ATOM 0 HG SER A 11 -8.642 6.935 -8.314 1.00 0.00 H new ATOM 193 N ASP A 12 -13.941 6.299 -7.174 1.00 0.00 N ATOM 194 CA ASP A 12 -15.039 6.707 -6.299 1.00 0.00 C ATOM 195 C ASP A 12 -15.205 5.723 -5.143 1.00 0.00 C ATOM 196 O ASP A 12 -15.395 6.121 -3.993 1.00 0.00 O ATOM 197 CB ASP A 12 -16.351 6.780 -7.083 1.00 0.00 C ATOM 198 CG ASP A 12 -16.584 5.464 -7.816 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.015 5.293 -8.882 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.329 4.646 -7.303 1.00 0.00 O ATOM 0 H ASP A 12 -14.211 6.117 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.797 7.692 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.180 6.982 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.315 7.603 -7.796 1.00 0.00 H new ATOM 205 N ALA A 13 -15.137 4.434 -5.463 1.00 0.00 N ATOM 206 CA ALA A 13 -15.288 3.394 -4.444 1.00 0.00 C ATOM 207 C ALA A 13 -13.935 2.968 -3.864 1.00 0.00 C ATOM 208 O ALA A 13 -13.882 2.215 -2.891 1.00 0.00 O ATOM 209 CB ALA A 13 -15.977 2.165 -5.040 1.00 0.00 C ATOM 0 H ALA A 13 -14.980 4.085 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.895 3.814 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.083 1.399 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.963 2.445 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.377 1.774 -5.862 1.00 0.00 H new ATOM 215 N CYS A 14 -12.841 3.447 -4.459 1.00 0.00 N ATOM 216 CA CYS A 14 -11.510 3.092 -3.973 1.00 0.00 C ATOM 217 C CYS A 14 -11.171 3.854 -2.692 1.00 0.00 C ATOM 218 O CYS A 14 -10.311 3.433 -1.919 1.00 0.00 O ATOM 219 CB CYS A 14 -10.456 3.405 -5.036 1.00 0.00 C ATOM 220 SG CYS A 14 -10.752 2.377 -6.495 1.00 0.00 S ATOM 0 H CYS A 14 -12.850 4.072 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.510 2.023 -3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.498 4.460 -5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.458 3.217 -4.641 1.00 0.00 H new ATOM 225 N LYS A 15 -11.848 4.981 -2.472 1.00 0.00 N ATOM 226 CA LYS A 15 -11.600 5.784 -1.277 1.00 0.00 C ATOM 227 C LYS A 15 -12.253 5.152 -0.046 1.00 0.00 C ATOM 228 O LYS A 15 -11.853 5.420 1.087 1.00 0.00 O ATOM 229 CB LYS A 15 -12.150 7.201 -1.459 1.00 0.00 C ATOM 230 CG LYS A 15 -13.630 7.130 -1.840 1.00 0.00 C ATOM 231 CD LYS A 15 -14.373 8.318 -1.224 1.00 0.00 C ATOM 232 CE LYS A 15 -15.734 8.478 -1.904 1.00 0.00 C ATOM 233 NZ LYS A 15 -16.754 7.574 -1.301 1.00 0.00 N ATOM 0 H LYS A 15 -12.563 5.354 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.521 5.826 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.028 7.771 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.589 7.723 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.738 7.142 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.063 6.194 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.506 8.162 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.786 9.229 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.066 9.513 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.638 8.262 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.665 7.707 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.447 6.586 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.862 7.797 -0.291 1.00 0.00 H new ATOM 247 N ALA A 16 -13.264 4.309 -0.274 1.00 0.00 N ATOM 248 CA ALA A 16 -13.960 3.649 0.832 1.00 0.00 C ATOM 249 C ALA A 16 -12.983 2.836 1.678 1.00 0.00 C ATOM 250 O ALA A 16 -12.727 3.160 2.838 1.00 0.00 O ATOM 251 CB ALA A 16 -15.049 2.717 0.298 1.00 0.00 C ATOM 0 H ALA A 16 -13.615 4.070 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.413 4.425 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.557 2.234 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.770 3.294 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.597 1.957 -0.340 1.00 0.00 H new ATOM 257 N GLU A 17 -12.438 1.778 1.084 1.00 0.00 N ATOM 258 CA GLU A 17 -11.487 0.926 1.793 1.00 0.00 C ATOM 259 C GLU A 17 -10.096 1.550 1.762 1.00 0.00 C ATOM 260 O GLU A 17 -9.460 1.734 2.799 1.00 0.00 O ATOM 261 CB GLU A 17 -11.425 -0.463 1.154 1.00 0.00 C ATOM 262 CG GLU A 17 -10.566 -1.390 2.021 1.00 0.00 C ATOM 263 CD GLU A 17 -11.401 -1.917 3.183 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.587 -1.179 4.136 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.842 -3.051 3.102 1.00 0.00 O ATOM 0 H GLU A 17 -12.635 1.492 0.125 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.824 0.831 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.430 -0.872 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.005 -0.394 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.191 -2.220 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.697 -0.851 2.399 1.00 0.00 H new ATOM 272 N SER A 18 -9.633 1.872 0.558 1.00 0.00 N ATOM 273 CA SER A 18 -8.314 2.476 0.399 1.00 0.00 C ATOM 274 C SER A 18 -8.351 3.945 0.820 1.00 0.00 C ATOM 275 O SER A 18 -8.172 4.851 0.005 1.00 0.00 O ATOM 276 CB SER A 18 -7.847 2.371 -1.056 1.00 0.00 C ATOM 277 OG SER A 18 -8.493 1.270 -1.682 1.00 0.00 O ATOM 0 H SER A 18 -10.144 1.727 -0.313 1.00 0.00 H new ATOM 0 HA SER A 18 -7.612 1.937 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.076 3.293 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.765 2.241 -1.094 1.00 0.00 H new ATOM 0 HG SER A 18 -9.318 1.577 -2.112 1.00 0.00 H new ATOM 283 N GLY A 19 -8.589 4.168 2.109 1.00 0.00 N ATOM 284 CA GLY A 19 -8.650 5.524 2.641 1.00 0.00 C ATOM 285 C GLY A 19 -7.306 5.939 3.228 1.00 0.00 C ATOM 286 O GLY A 19 -7.240 6.531 4.305 1.00 0.00 O ATOM 0 H GLY A 19 -8.742 3.433 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.935 6.217 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.421 5.583 3.409 1.00 0.00 H new ATOM 290 N VAL A 20 -6.234 5.622 2.505 1.00 0.00 N ATOM 291 CA VAL A 20 -4.885 5.964 2.956 1.00 0.00 C ATOM 292 C VAL A 20 -4.760 7.474 3.198 1.00 0.00 C ATOM 293 O VAL A 20 -3.976 7.918 4.037 1.00 0.00 O ATOM 294 CB VAL A 20 -3.850 5.506 1.914 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.084 6.227 0.580 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.435 5.805 2.424 1.00 0.00 C ATOM 0 H VAL A 20 -6.271 5.133 1.611 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.694 5.449 3.898 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.959 4.433 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.345 5.894 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.084 5.997 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.989 7.303 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.705 5.479 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.328 6.877 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.265 5.272 3.360 1.00 0.00 H new ATOM 306 N SER A 21 -5.550 8.253 2.456 1.00 0.00 N ATOM 307 CA SER A 21 -5.538 9.713 2.592 1.00 0.00 C ATOM 308 C SER A 21 -4.129 10.276 2.413 1.00 0.00 C ATOM 309 O SER A 21 -3.780 11.307 2.989 1.00 0.00 O ATOM 310 CB SER A 21 -6.077 10.129 3.964 1.00 0.00 C ATOM 311 OG SER A 21 -5.071 9.942 4.951 1.00 0.00 O ATOM 0 H SER A 21 -6.204 7.900 1.757 1.00 0.00 H new ATOM 0 HA SER A 21 -6.179 10.119 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.388 11.173 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.959 9.539 4.213 1.00 0.00 H new ATOM 0 HG SER A 21 -4.830 8.993 4.997 1.00 0.00 H new ATOM 317 N GLU A 22 -3.325 9.590 1.604 1.00 0.00 N ATOM 318 CA GLU A 22 -1.954 10.030 1.350 1.00 0.00 C ATOM 319 C GLU A 22 -1.161 10.128 2.653 1.00 0.00 C ATOM 320 O GLU A 22 -0.244 10.939 2.778 1.00 0.00 O ATOM 321 CB GLU A 22 -1.952 11.399 0.665 1.00 0.00 C ATOM 322 CG GLU A 22 -0.731 11.510 -0.251 1.00 0.00 C ATOM 323 CD GLU A 22 -1.014 12.525 -1.354 1.00 0.00 C ATOM 324 OE1 GLU A 22 -0.986 13.709 -1.063 1.00 0.00 O ATOM 325 OE2 GLU A 22 -1.253 12.102 -2.473 1.00 0.00 O ATOM 0 H GLU A 22 -3.595 8.735 1.117 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.485 9.291 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.867 11.529 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.932 12.192 1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.142 11.816 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.500 10.538 -0.687 1.00 0.00 H new ATOM 332 N GLU A 23 -1.526 9.292 3.622 1.00 0.00 N ATOM 333 CA GLU A 23 -0.841 9.293 4.911 1.00 0.00 C ATOM 334 C GLU A 23 0.321 8.307 4.895 1.00 0.00 C ATOM 335 O GLU A 23 1.471 8.674 5.140 1.00 0.00 O ATOM 336 CB GLU A 23 -1.808 8.907 6.033 1.00 0.00 C ATOM 337 CG GLU A 23 -1.303 9.473 7.361 1.00 0.00 C ATOM 338 CD GLU A 23 -2.375 9.298 8.431 1.00 0.00 C ATOM 339 OE1 GLU A 23 -3.204 10.183 8.562 1.00 0.00 O ATOM 340 OE2 GLU A 23 -2.352 8.280 9.104 1.00 0.00 O ATOM 0 H GLU A 23 -2.283 8.613 3.541 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.462 10.299 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.804 9.292 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.893 7.822 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.388 8.962 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.056 10.529 7.248 1.00 0.00 H new ATOM 347 N SER A 24 0.008 7.048 4.601 1.00 0.00 N ATOM 348 CA SER A 24 1.033 6.010 4.550 1.00 0.00 C ATOM 349 C SER A 24 1.939 6.213 3.339 1.00 0.00 C ATOM 350 O SER A 24 3.127 5.896 3.376 1.00 0.00 O ATOM 351 CB SER A 24 0.389 4.626 4.462 1.00 0.00 C ATOM 352 OG SER A 24 -0.403 4.403 5.621 1.00 0.00 O ATOM 0 H SER A 24 -0.937 6.724 4.396 1.00 0.00 H new ATOM 0 HA SER A 24 1.625 6.078 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.228 4.556 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.159 3.858 4.380 1.00 0.00 H new ATOM 0 HG SER A 24 -1.350 4.381 5.371 1.00 0.00 H new ATOM 358 N LEU A 25 1.361 6.746 2.265 1.00 0.00 N ATOM 359 CA LEU A 25 2.121 6.989 1.040 1.00 0.00 C ATOM 360 C LEU A 25 3.272 7.955 1.303 1.00 0.00 C ATOM 361 O LEU A 25 4.356 7.822 0.735 1.00 0.00 O ATOM 362 CB LEU A 25 1.215 7.579 -0.041 1.00 0.00 C ATOM 363 CG LEU A 25 0.310 6.575 -0.759 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.952 7.284 -1.252 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.059 5.978 -1.952 1.00 0.00 C ATOM 0 H LEU A 25 0.379 7.016 2.217 1.00 0.00 H new ATOM 0 HA LEU A 25 2.522 6.034 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.589 8.347 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.840 8.075 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 25 0.031 5.779 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.596 6.568 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.486 7.710 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.676 8.081 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.416 5.263 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.338 6.774 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.958 5.471 -1.601 1.00 0.00 H new ATOM 377 N ASN A 26 3.026 8.932 2.172 1.00 0.00 N ATOM 378 CA ASN A 26 4.048 9.921 2.505 1.00 0.00 C ATOM 379 C ASN A 26 5.260 9.246 3.140 1.00 0.00 C ATOM 380 O ASN A 26 6.404 9.528 2.783 1.00 0.00 O ATOM 381 CB ASN A 26 3.491 10.961 3.479 1.00 0.00 C ATOM 382 CG ASN A 26 4.424 12.166 3.524 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.643 12.013 3.585 1.00 0.00 O ATOM 384 ND2 ASN A 26 3.919 13.368 3.497 1.00 0.00 N ATOM 0 H ASN A 26 2.137 9.060 2.655 1.00 0.00 H new ATOM 0 HA ASN A 26 4.350 10.414 1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.494 11.271 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.392 10.527 4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.535 14.181 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.908 13.496 3.446 1.00 0.00 H new ATOM 391 N LYS A 27 4.995 8.351 4.087 1.00 0.00 N ATOM 392 CA LYS A 27 6.071 7.638 4.774 1.00 0.00 C ATOM 393 C LYS A 27 6.910 6.829 3.784 1.00 0.00 C ATOM 394 O LYS A 27 8.075 6.530 4.044 1.00 0.00 O ATOM 395 CB LYS A 27 5.496 6.691 5.829 1.00 0.00 C ATOM 396 CG LYS A 27 5.298 7.451 7.142 1.00 0.00 C ATOM 397 CD LYS A 27 4.602 6.542 8.158 1.00 0.00 C ATOM 398 CE LYS A 27 3.091 6.764 8.090 1.00 0.00 C ATOM 399 NZ LYS A 27 2.390 6.092 9.222 1.00 0.00 N ATOM 0 H LYS A 27 4.055 8.103 4.395 1.00 0.00 H new ATOM 0 HA LYS A 27 6.705 8.382 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.546 6.282 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.170 5.848 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.261 7.781 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.701 8.346 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.837 5.498 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.967 6.756 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.878 7.833 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.708 6.381 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.367 6.262 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.575 5.069 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.739 6.476 10.123 1.00 0.00 H new ATOM 413 N VAL A 28 6.314 6.474 2.647 1.00 0.00 N ATOM 414 CA VAL A 28 7.036 5.705 1.635 1.00 0.00 C ATOM 415 C VAL A 28 8.246 6.491 1.137 1.00 0.00 C ATOM 416 O VAL A 28 9.275 5.918 0.779 1.00 0.00 O ATOM 417 CB VAL A 28 6.123 5.385 0.446 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.842 4.427 -0.509 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.836 4.728 0.951 1.00 0.00 C ATOM 0 H VAL A 28 5.350 6.702 2.406 1.00 0.00 H new ATOM 0 HA VAL A 28 7.368 4.774 2.093 1.00 0.00 H new ATOM 0 HB VAL A 28 5.878 6.308 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.192 4.200 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.758 4.894 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.088 3.505 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.187 4.501 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.081 3.806 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.322 5.409 1.630 1.00 0.00 H new ATOM 429 N ARG A 29 8.109 7.816 1.123 1.00 0.00 N ATOM 430 CA ARG A 29 9.193 8.686 0.671 1.00 0.00 C ATOM 431 C ARG A 29 10.454 8.462 1.503 1.00 0.00 C ATOM 432 O ARG A 29 11.572 8.578 1.000 1.00 0.00 O ATOM 433 CB ARG A 29 8.780 10.155 0.783 1.00 0.00 C ATOM 434 CG ARG A 29 7.547 10.409 -0.090 1.00 0.00 C ATOM 435 CD ARG A 29 7.955 10.415 -1.565 1.00 0.00 C ATOM 436 NE ARG A 29 7.718 9.107 -2.169 1.00 0.00 N ATOM 437 CZ ARG A 29 6.596 8.852 -2.837 1.00 0.00 C ATOM 438 NH1 ARG A 29 6.492 9.191 -4.092 1.00 0.00 N ATOM 439 NH2 ARG A 29 5.598 8.265 -2.235 1.00 0.00 N ATOM 0 H ARG A 29 7.265 8.307 1.417 1.00 0.00 H new ATOM 0 HA ARG A 29 9.402 8.441 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.561 10.404 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.601 10.799 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.798 9.637 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.091 11.363 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.389 11.177 -2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.009 10.678 -1.655 1.00 0.00 H new ATOM 0 HE ARG A 29 8.424 8.377 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.271 9.652 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.632 8.995 -4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.678 8.002 -1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.738 8.069 -2.747 1.00 0.00 H new ATOM 453 N ASN A 30 10.265 8.142 2.782 1.00 0.00 N ATOM 454 CA ASN A 30 11.405 7.908 3.666 1.00 0.00 C ATOM 455 C ASN A 30 11.811 6.432 3.642 1.00 0.00 C ATOM 456 O ASN A 30 10.968 5.538 3.713 1.00 0.00 O ATOM 457 CB ASN A 30 11.082 8.351 5.108 1.00 0.00 C ATOM 458 CG ASN A 30 10.020 7.450 5.738 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.252 6.263 5.959 1.00 0.00 O ATOM 460 ND2 ASN A 30 8.861 7.956 6.057 1.00 0.00 N ATOM 0 H ASN A 30 9.351 8.040 3.223 1.00 0.00 H new ATOM 0 HA ASN A 30 12.242 8.505 3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.989 8.325 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.731 9.383 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.149 7.367 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.667 8.941 5.874 1.00 0.00 H new ATOM 467 N ARG A 31 13.114 6.192 3.535 1.00 0.00 N ATOM 468 CA ARG A 31 13.627 4.825 3.498 1.00 0.00 C ATOM 469 C ARG A 31 13.663 4.231 4.903 1.00 0.00 C ATOM 470 O ARG A 31 14.703 4.219 5.561 1.00 0.00 O ATOM 471 CB ARG A 31 15.037 4.797 2.905 1.00 0.00 C ATOM 472 CG ARG A 31 15.007 5.371 1.487 1.00 0.00 C ATOM 473 CD ARG A 31 16.259 4.931 0.728 1.00 0.00 C ATOM 474 NE ARG A 31 17.301 5.951 0.818 1.00 0.00 N ATOM 475 CZ ARG A 31 17.109 7.171 0.327 1.00 0.00 C ATOM 476 NH1 ARG A 31 16.471 7.328 -0.801 1.00 0.00 N ATOM 477 NH2 ARG A 31 17.558 8.213 0.971 1.00 0.00 N ATOM 0 H ARG A 31 13.828 6.917 3.473 1.00 0.00 H new ATOM 0 HA ARG A 31 12.961 4.232 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.717 5.377 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.415 3.775 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.114 5.029 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.957 6.459 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.627 3.990 1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.011 4.748 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 31 18.189 5.723 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.120 6.514 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.324 8.264 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.057 8.092 1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.410 9.149 0.593 1.00 0.00 H new ATOM 491 N GLU A 32 12.514 3.738 5.357 1.00 0.00 N ATOM 492 CA GLU A 32 12.426 3.143 6.688 1.00 0.00 C ATOM 493 C GLU A 32 11.645 1.831 6.639 1.00 0.00 C ATOM 494 O GLU A 32 12.227 0.746 6.688 1.00 0.00 O ATOM 495 CB GLU A 32 11.742 4.106 7.663 1.00 0.00 C ATOM 496 CG GLU A 32 12.688 5.264 7.988 1.00 0.00 C ATOM 497 CD GLU A 32 13.684 4.824 9.056 1.00 0.00 C ATOM 498 OE1 GLU A 32 13.340 4.900 10.225 1.00 0.00 O ATOM 499 OE2 GLU A 32 14.773 4.416 8.690 1.00 0.00 O ATOM 0 H GLU A 32 11.640 3.738 4.831 1.00 0.00 H new ATOM 0 HA GLU A 32 13.440 2.943 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.820 4.488 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.467 3.580 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.218 5.578 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.119 6.125 8.339 1.00 0.00 H new ATOM 506 N GLU A 33 10.320 1.938 6.541 1.00 0.00 N ATOM 507 CA GLU A 33 9.464 0.753 6.485 1.00 0.00 C ATOM 508 C GLU A 33 7.995 1.167 6.421 1.00 0.00 C ATOM 509 O GLU A 33 7.575 2.122 7.074 1.00 0.00 O ATOM 510 CB GLU A 33 9.684 -0.134 7.724 1.00 0.00 C ATOM 511 CG GLU A 33 10.513 -1.366 7.340 1.00 0.00 C ATOM 512 CD GLU A 33 9.586 -2.553 7.099 1.00 0.00 C ATOM 513 OE1 GLU A 33 8.770 -2.828 7.964 1.00 0.00 O ATOM 514 OE2 GLU A 33 9.706 -3.171 6.055 1.00 0.00 O ATOM 0 H GLU A 33 9.819 2.826 6.499 1.00 0.00 H new ATOM 0 HA GLU A 33 9.725 0.189 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.196 0.432 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.724 -0.444 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.096 -1.159 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.222 -1.601 8.134 1.00 0.00 H new ATOM 521 N VAL A 34 7.220 0.435 5.623 1.00 0.00 N ATOM 522 CA VAL A 34 5.796 0.732 5.480 1.00 0.00 C ATOM 523 C VAL A 34 5.017 -0.541 5.165 1.00 0.00 C ATOM 524 O VAL A 34 5.429 -1.351 4.334 1.00 0.00 O ATOM 525 CB VAL A 34 5.566 1.746 4.357 1.00 0.00 C ATOM 526 CG1 VAL A 34 4.100 2.190 4.361 1.00 0.00 C ATOM 527 CG2 VAL A 34 6.464 2.967 4.575 1.00 0.00 C ATOM 0 H VAL A 34 7.548 -0.358 5.072 1.00 0.00 H new ATOM 0 HA VAL A 34 5.445 1.152 6.423 1.00 0.00 H new ATOM 0 HB VAL A 34 5.806 1.283 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.936 2.912 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.457 1.324 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.862 2.650 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.299 3.688 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.225 3.428 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.509 2.655 4.573 1.00 0.00 H new ATOM 537 N ASP A 35 3.882 -0.705 5.840 1.00 0.00 N ATOM 538 CA ASP A 35 3.042 -1.880 5.627 1.00 0.00 C ATOM 539 C ASP A 35 1.577 -1.536 5.893 1.00 0.00 C ATOM 540 O ASP A 35 0.955 -2.049 6.826 1.00 0.00 O ATOM 541 CB ASP A 35 3.476 -3.023 6.551 1.00 0.00 C ATOM 542 CG ASP A 35 3.496 -2.532 7.994 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.422 -1.819 8.344 1.00 0.00 O ATOM 544 OD2 ASP A 35 2.584 -2.874 8.729 1.00 0.00 O ATOM 0 H ASP A 35 3.526 -0.046 6.532 1.00 0.00 H new ATOM 0 HA ASP A 35 3.154 -2.199 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.791 -3.865 6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.465 -3.381 6.264 1.00 0.00 H new ATOM 549 N ASP A 36 1.034 -0.653 5.060 1.00 0.00 N ATOM 550 CA ASP A 36 -0.358 -0.237 5.209 1.00 0.00 C ATOM 551 C ASP A 36 -1.228 -0.895 4.131 1.00 0.00 C ATOM 552 O ASP A 36 -0.804 -1.031 2.984 1.00 0.00 O ATOM 553 CB ASP A 36 -0.473 1.287 5.086 1.00 0.00 C ATOM 554 CG ASP A 36 -1.531 1.803 6.056 1.00 0.00 C ATOM 555 OD1 ASP A 36 -1.244 1.858 7.241 1.00 0.00 O ATOM 556 OD2 ASP A 36 -2.613 2.136 5.600 1.00 0.00 O ATOM 0 H ASP A 36 1.529 -0.216 4.283 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.704 -0.549 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.489 1.752 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.738 1.560 4.065 1.00 0.00 H new ATOM 561 N PRO A 37 -2.455 -1.310 4.482 1.00 0.00 N ATOM 562 CA PRO A 37 -3.369 -1.953 3.524 1.00 0.00 C ATOM 563 C PRO A 37 -3.913 -0.971 2.488 1.00 0.00 C ATOM 564 O PRO A 37 -3.873 -1.230 1.285 1.00 0.00 O ATOM 565 CB PRO A 37 -4.501 -2.489 4.397 1.00 0.00 C ATOM 566 CG PRO A 37 -4.490 -1.632 5.614 1.00 0.00 C ATOM 567 CD PRO A 37 -3.067 -1.200 5.820 1.00 0.00 C ATOM 0 HA PRO A 37 -2.863 -2.726 2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.459 -2.429 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.341 -3.537 4.651 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.143 -0.768 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.857 -2.183 6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.012 -0.180 6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.559 -1.837 6.544 1.00 0.00 H new ATOM 575 N LYS A 38 -4.422 0.162 2.971 1.00 0.00 N ATOM 576 CA LYS A 38 -4.977 1.190 2.086 1.00 0.00 C ATOM 577 C LYS A 38 -3.973 1.591 1.005 1.00 0.00 C ATOM 578 O LYS A 38 -4.353 1.999 -0.093 1.00 0.00 O ATOM 579 CB LYS A 38 -5.359 2.435 2.889 1.00 0.00 C ATOM 580 CG LYS A 38 -6.398 2.065 3.949 1.00 0.00 C ATOM 581 CD LYS A 38 -6.243 2.988 5.160 1.00 0.00 C ATOM 582 CE LYS A 38 -6.881 2.333 6.386 1.00 0.00 C ATOM 583 NZ LYS A 38 -6.174 2.723 7.640 1.00 0.00 N ATOM 0 H LYS A 38 -4.462 0.392 3.964 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.862 0.768 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.474 2.858 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.760 3.200 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.403 2.155 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.270 1.026 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.187 3.185 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.716 3.950 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.929 2.624 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.857 1.249 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.630 2.263 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.180 2.423 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.218 3.755 7.757 1.00 0.00 H new ATOM 597 N LEU A 39 -2.687 1.470 1.327 1.00 0.00 N ATOM 598 CA LEU A 39 -1.638 1.823 0.376 1.00 0.00 C ATOM 599 C LEU A 39 -1.673 0.885 -0.829 1.00 0.00 C ATOM 600 O LEU A 39 -1.833 1.321 -1.969 1.00 0.00 O ATOM 601 CB LEU A 39 -0.262 1.743 1.045 1.00 0.00 C ATOM 602 CG LEU A 39 0.699 2.882 0.703 1.00 0.00 C ATOM 603 CD1 LEU A 39 2.030 2.664 1.427 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.940 2.911 -0.807 1.00 0.00 C ATOM 0 H LEU A 39 -2.350 1.134 2.229 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.814 2.845 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.403 1.721 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.205 0.799 0.765 1.00 0.00 H new ATOM 0 HG LEU A 39 0.264 3.830 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.714 3.476 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.860 2.644 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.465 1.716 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.625 3.723 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.374 1.963 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.007 3.068 -1.324 1.00 0.00 H new ATOM 616 N LYS A 40 -1.520 -0.408 -0.562 1.00 0.00 N ATOM 617 CA LYS A 40 -1.537 -1.403 -1.630 1.00 0.00 C ATOM 618 C LYS A 40 -2.896 -1.416 -2.321 1.00 0.00 C ATOM 619 O LYS A 40 -2.992 -1.593 -3.535 1.00 0.00 O ATOM 620 CB LYS A 40 -1.250 -2.798 -1.070 1.00 0.00 C ATOM 621 CG LYS A 40 0.047 -2.768 -0.259 1.00 0.00 C ATOM 622 CD LYS A 40 0.479 -4.199 0.066 1.00 0.00 C ATOM 623 CE LYS A 40 1.272 -4.211 1.373 1.00 0.00 C ATOM 624 NZ LYS A 40 1.848 -5.558 1.647 1.00 0.00 N ATOM 0 H LYS A 40 -1.384 -0.789 0.374 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.763 -1.136 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.077 -3.125 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.165 -3.518 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.829 -2.260 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.100 -2.203 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.396 -4.843 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.088 -4.599 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.074 -3.475 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.622 -3.917 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.491 -5.909 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.570 -6.215 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.885 -5.491 1.684 1.00 0.00 H new ATOM 638 N GLU A 41 -3.949 -1.227 -1.529 1.00 0.00 N ATOM 639 CA GLU A 41 -5.306 -1.218 -2.068 1.00 0.00 C ATOM 640 C GLU A 41 -5.482 -0.065 -3.052 1.00 0.00 C ATOM 641 O GLU A 41 -5.784 -0.273 -4.228 1.00 0.00 O ATOM 642 CB GLU A 41 -6.328 -1.070 -0.937 1.00 0.00 C ATOM 643 CG GLU A 41 -6.798 -2.455 -0.487 1.00 0.00 C ATOM 644 CD GLU A 41 -5.833 -3.006 0.559 1.00 0.00 C ATOM 645 OE1 GLU A 41 -5.977 -2.645 1.715 1.00 0.00 O ATOM 646 OE2 GLU A 41 -4.967 -3.781 0.187 1.00 0.00 O ATOM 0 H GLU A 41 -3.890 -1.079 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.470 -2.163 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.882 -0.535 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.178 -0.479 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.804 -2.392 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.848 -3.129 -1.342 1.00 0.00 H new ATOM 653 N HIS A 42 -5.290 1.156 -2.555 1.00 0.00 N ATOM 654 CA HIS A 42 -5.432 2.356 -3.388 1.00 0.00 C ATOM 655 C HIS A 42 -4.608 2.245 -4.671 1.00 0.00 C ATOM 656 O HIS A 42 -5.083 2.564 -5.761 1.00 0.00 O ATOM 657 CB HIS A 42 -4.974 3.595 -2.615 1.00 0.00 C ATOM 658 CG HIS A 42 -5.417 4.834 -3.343 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.515 5.732 -3.891 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.664 5.338 -3.621 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.226 6.720 -4.465 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.540 6.529 -4.330 1.00 0.00 N ATOM 0 H HIS A 42 -5.037 1.343 -1.585 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.486 2.447 -3.651 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.392 3.583 -1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.889 3.591 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.599 4.880 -3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.786 7.565 -4.973 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.292 7.127 -4.673 1.00 0.00 H new ATOM 670 N ALA A 43 -3.363 1.791 -4.527 1.00 0.00 N ATOM 671 CA ALA A 43 -2.467 1.641 -5.679 1.00 0.00 C ATOM 672 C ALA A 43 -3.111 0.792 -6.775 1.00 0.00 C ATOM 673 O ALA A 43 -3.096 1.158 -7.950 1.00 0.00 O ATOM 674 CB ALA A 43 -1.152 0.986 -5.251 1.00 0.00 C ATOM 0 H ALA A 43 -2.952 1.522 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.272 2.638 -6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.499 0.882 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.663 1.607 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.356 0.001 -4.830 1.00 0.00 H new ATOM 680 N PHE A 44 -3.682 -0.347 -6.377 1.00 0.00 N ATOM 681 CA PHE A 44 -4.333 -1.242 -7.336 1.00 0.00 C ATOM 682 C PHE A 44 -5.417 -0.495 -8.113 1.00 0.00 C ATOM 683 O PHE A 44 -5.657 -0.764 -9.290 1.00 0.00 O ATOM 684 CB PHE A 44 -4.958 -2.443 -6.612 1.00 0.00 C ATOM 685 CG PHE A 44 -5.525 -3.421 -7.621 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.734 -3.873 -8.685 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.843 -3.874 -7.488 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.260 -4.778 -9.614 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.369 -4.779 -8.417 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.578 -5.231 -9.481 1.00 0.00 C ATOM 0 H PHE A 44 -3.707 -0.669 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.576 -1.600 -8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.207 -2.938 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.746 -2.103 -5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.718 -3.523 -8.789 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.454 -3.525 -6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.649 -5.127 -10.433 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.385 -5.129 -8.313 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.985 -5.929 -10.198 1.00 0.00 H new ATOM 700 N CYS A 45 -6.059 0.453 -7.439 1.00 0.00 N ATOM 701 CA CYS A 45 -7.108 1.244 -8.070 1.00 0.00 C ATOM 702 C CYS A 45 -6.525 2.113 -9.183 1.00 0.00 C ATOM 703 O CYS A 45 -7.207 2.444 -10.152 1.00 0.00 O ATOM 704 CB CYS A 45 -7.788 2.147 -7.040 1.00 0.00 C ATOM 705 SG CYS A 45 -9.270 2.886 -7.769 1.00 0.00 S ATOM 0 H CYS A 45 -5.874 0.691 -6.465 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.841 0.556 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.055 1.570 -6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.101 2.929 -6.716 1.00 0.00 H new ATOM 710 N ILE A 46 -5.254 2.484 -9.028 1.00 0.00 N ATOM 711 CA ILE A 46 -4.587 3.323 -10.024 1.00 0.00 C ATOM 712 C ILE A 46 -3.984 2.459 -11.128 1.00 0.00 C ATOM 713 O ILE A 46 -3.924 2.863 -12.289 1.00 0.00 O ATOM 714 CB ILE A 46 -3.466 4.163 -9.387 1.00 0.00 C ATOM 715 CG1 ILE A 46 -3.889 4.679 -7.998 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.149 5.354 -10.293 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.181 5.497 -8.103 1.00 0.00 C ATOM 0 H ILE A 46 -4.672 2.221 -8.233 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.339 3.992 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.584 3.534 -9.271 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.037 3.838 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.095 5.294 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.355 5.951 -9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.824 4.993 -11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.042 5.968 -10.412 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.467 5.854 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.020 6.349 -8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.977 4.870 -8.506 1.00 0.00 H new ATOM 729 N LEU A 47 -3.534 1.263 -10.751 1.00 0.00 N ATOM 730 CA LEU A 47 -2.929 0.343 -11.715 1.00 0.00 C ATOM 731 C LEU A 47 -3.919 0.012 -12.834 1.00 0.00 C ATOM 732 O LEU A 47 -3.558 -0.026 -14.010 1.00 0.00 O ATOM 733 CB LEU A 47 -2.491 -0.952 -11.012 1.00 0.00 C ATOM 734 CG LEU A 47 -0.979 -1.129 -10.834 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.323 -1.323 -12.200 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.392 0.112 -10.156 1.00 0.00 C ATOM 0 H LEU A 47 -3.576 0.910 -9.795 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.055 0.828 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.961 -0.988 -10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.874 -1.800 -11.580 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.789 -2.004 -10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.752 -1.449 -12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.738 -2.209 -12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.515 -0.449 -12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.683 -0.016 -10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.583 0.989 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.858 0.248 -9.180 1.00 0.00 H new ATOM 748 N LYS A 48 -5.170 -0.226 -12.451 1.00 0.00 N ATOM 749 CA LYS A 48 -6.208 -0.554 -13.427 1.00 0.00 C ATOM 750 C LYS A 48 -6.472 0.633 -14.350 1.00 0.00 C ATOM 751 O LYS A 48 -6.428 0.509 -15.573 1.00 0.00 O ATOM 752 CB LYS A 48 -7.511 -0.931 -12.720 1.00 0.00 C ATOM 753 CG LYS A 48 -7.399 -2.352 -12.164 1.00 0.00 C ATOM 754 CD LYS A 48 -8.222 -2.463 -10.880 1.00 0.00 C ATOM 755 CE LYS A 48 -9.711 -2.358 -11.216 1.00 0.00 C ATOM 756 NZ LYS A 48 -10.248 -3.653 -11.720 1.00 0.00 N ATOM 0 H LYS A 48 -5.489 -0.199 -11.483 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.855 -1.401 -14.016 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.715 -0.228 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.347 -0.867 -13.417 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.756 -3.072 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.356 -2.594 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.016 -3.412 -10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.939 -1.673 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.265 -2.054 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.862 -1.583 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.213 -3.512 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.640 -4.006 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.266 -4.346 -10.945 1.00 0.00 H new ATOM 770 N ARG A 49 -6.749 1.786 -13.746 1.00 0.00 N ATOM 771 CA ARG A 49 -7.024 2.994 -14.521 1.00 0.00 C ATOM 772 C ARG A 49 -5.813 3.378 -15.366 1.00 0.00 C ATOM 773 O ARG A 49 -5.949 3.862 -16.489 1.00 0.00 O ATOM 774 CB ARG A 49 -7.372 4.157 -13.591 1.00 0.00 C ATOM 775 CG ARG A 49 -8.884 4.187 -13.351 1.00 0.00 C ATOM 776 CD ARG A 49 -9.541 5.144 -14.345 1.00 0.00 C ATOM 777 NE ARG A 49 -9.237 6.531 -14.004 1.00 0.00 N ATOM 778 CZ ARG A 49 -9.260 7.485 -14.929 1.00 0.00 C ATOM 779 NH1 ARG A 49 -8.647 7.306 -16.067 1.00 0.00 N ATOM 780 NH2 ARG A 49 -9.898 8.601 -14.700 1.00 0.00 N ATOM 0 H ARG A 49 -6.789 1.910 -12.734 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.870 2.786 -15.176 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.845 4.048 -12.643 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.045 5.099 -14.031 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.301 3.186 -13.464 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.094 4.506 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.189 4.927 -15.354 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.620 4.992 -14.344 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.003 6.771 -13.041 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.150 6.434 -16.247 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.665 8.038 -16.777 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.379 8.741 -13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.916 9.333 -15.410 1.00 0.00 H new ATOM 794 N ALA A 50 -4.625 3.158 -14.810 1.00 0.00 N ATOM 795 CA ALA A 50 -3.388 3.486 -15.518 1.00 0.00 C ATOM 796 C ALA A 50 -3.293 2.714 -16.832 1.00 0.00 C ATOM 797 O ALA A 50 -2.683 3.177 -17.796 1.00 0.00 O ATOM 798 CB ALA A 50 -2.172 3.145 -14.655 1.00 0.00 C ATOM 0 H ALA A 50 -4.491 2.758 -13.881 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.401 4.555 -15.729 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.260 3.395 -15.197 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.212 3.717 -13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.177 2.080 -14.425 1.00 0.00 H new ATOM 804 N GLY A 51 -3.901 1.531 -16.861 1.00 0.00 N ATOM 805 CA GLY A 51 -3.876 0.702 -18.061 1.00 0.00 C ATOM 806 C GLY A 51 -2.678 -0.239 -18.037 1.00 0.00 C ATOM 807 O GLY A 51 -2.102 -0.565 -19.076 1.00 0.00 O ATOM 0 H GLY A 51 -4.412 1.128 -16.075 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.798 0.124 -18.130 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.830 1.336 -18.947 1.00 0.00 H new ATOM 811 N PHE A 52 -2.310 -0.673 -16.835 1.00 0.00 N ATOM 812 CA PHE A 52 -1.177 -1.578 -16.673 1.00 0.00 C ATOM 813 C PHE A 52 -1.665 -3.010 -16.481 1.00 0.00 C ATOM 814 O PHE A 52 -1.422 -3.882 -17.313 1.00 0.00 O ATOM 815 CB PHE A 52 -0.339 -1.173 -15.459 1.00 0.00 C ATOM 816 CG PHE A 52 0.530 0.009 -15.814 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.394 -0.060 -16.914 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.472 1.176 -15.043 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.198 1.037 -17.243 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.278 2.274 -15.372 1.00 0.00 C ATOM 821 CZ PHE A 52 2.141 2.203 -16.472 1.00 0.00 C ATOM 0 H PHE A 52 -2.776 -0.415 -15.965 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.566 -1.518 -17.574 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.991 -0.920 -14.623 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.281 -2.010 -15.137 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.440 -0.960 -17.509 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.194 1.230 -14.195 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.863 0.984 -18.092 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.233 3.174 -14.777 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.763 3.049 -16.726 1.00 0.00 H new ATOM 831 N ILE A 53 -2.355 -3.237 -15.369 1.00 0.00 N ATOM 832 CA ILE A 53 -2.875 -4.567 -15.064 1.00 0.00 C ATOM 833 C ILE A 53 -4.383 -4.617 -15.320 1.00 0.00 C ATOM 834 O ILE A 53 -5.085 -3.619 -15.161 1.00 0.00 O ATOM 835 CB ILE A 53 -2.568 -4.929 -13.603 1.00 0.00 C ATOM 836 CG1 ILE A 53 -2.973 -6.379 -13.340 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.328 -4.002 -12.647 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.123 -6.941 -12.199 1.00 0.00 C ATOM 0 H ILE A 53 -2.566 -2.526 -14.669 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.389 -5.294 -15.715 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.499 -4.808 -13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.031 -6.432 -13.082 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.834 -6.977 -14.241 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.098 -4.274 -11.617 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.027 -2.970 -12.826 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.400 -4.103 -12.818 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.409 -7.975 -12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.070 -6.901 -12.476 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.284 -6.348 -11.299 1.00 0.00 H new ATOM 850 N ASP A 54 -4.873 -5.787 -15.727 1.00 0.00 N ATOM 851 CA ASP A 54 -6.298 -5.943 -16.009 1.00 0.00 C ATOM 852 C ASP A 54 -7.048 -6.442 -14.778 1.00 0.00 C ATOM 853 O ASP A 54 -6.478 -7.094 -13.902 1.00 0.00 O ATOM 854 CB ASP A 54 -6.521 -6.926 -17.163 1.00 0.00 C ATOM 855 CG ASP A 54 -5.783 -8.235 -16.889 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.570 -8.548 -15.729 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.446 -8.908 -17.849 1.00 0.00 O ATOM 0 H ASP A 54 -4.314 -6.629 -15.867 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.683 -4.963 -16.290 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.587 -7.119 -17.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.167 -6.489 -18.097 1.00 0.00 H new ATOM 862 N ALA A 55 -8.342 -6.127 -14.730 1.00 0.00 N ATOM 863 CA ALA A 55 -9.196 -6.534 -13.613 1.00 0.00 C ATOM 864 C ALA A 55 -9.124 -8.043 -13.355 1.00 0.00 C ATOM 865 O ALA A 55 -9.443 -8.508 -12.260 1.00 0.00 O ATOM 866 CB ALA A 55 -10.652 -6.155 -13.895 1.00 0.00 C ATOM 0 H ALA A 55 -8.823 -5.591 -15.452 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.832 -6.013 -12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.277 -6.463 -13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.728 -5.076 -14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.989 -6.656 -14.802 1.00 0.00 H new ATOM 872 N SER A 56 -8.717 -8.808 -14.371 1.00 0.00 N ATOM 873 CA SER A 56 -8.629 -10.262 -14.226 1.00 0.00 C ATOM 874 C SER A 56 -7.244 -10.706 -13.742 1.00 0.00 C ATOM 875 O SER A 56 -6.856 -11.860 -13.929 1.00 0.00 O ATOM 876 CB SER A 56 -8.925 -10.944 -15.561 1.00 0.00 C ATOM 877 OG SER A 56 -7.940 -10.559 -16.512 1.00 0.00 O ATOM 0 H SER A 56 -8.447 -8.452 -15.288 1.00 0.00 H new ATOM 0 HA SER A 56 -9.367 -10.554 -13.479 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.925 -12.027 -15.438 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.917 -10.664 -15.914 1.00 0.00 H new ATOM 0 HG SER A 56 -8.125 -10.995 -17.370 1.00 0.00 H new ATOM 883 N GLY A 57 -6.505 -9.792 -13.113 1.00 0.00 N ATOM 884 CA GLY A 57 -5.174 -10.117 -12.602 1.00 0.00 C ATOM 885 C GLY A 57 -4.260 -10.638 -13.707 1.00 0.00 C ATOM 886 O GLY A 57 -4.210 -11.837 -13.982 1.00 0.00 O ATOM 0 H GLY A 57 -6.802 -8.830 -12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.730 -9.230 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.259 -10.867 -11.815 1.00 0.00 H new ATOM 890 N GLU A 58 -3.531 -9.717 -14.330 1.00 0.00 N ATOM 891 CA GLU A 58 -2.606 -10.079 -15.402 1.00 0.00 C ATOM 892 C GLU A 58 -1.571 -8.974 -15.586 1.00 0.00 C ATOM 893 O GLU A 58 -1.887 -7.883 -16.058 1.00 0.00 O ATOM 894 CB GLU A 58 -3.361 -10.287 -16.718 1.00 0.00 C ATOM 895 CG GLU A 58 -2.707 -11.421 -17.512 1.00 0.00 C ATOM 896 CD GLU A 58 -3.373 -12.744 -17.150 1.00 0.00 C ATOM 897 OE1 GLU A 58 -4.590 -12.809 -17.209 1.00 0.00 O ATOM 898 OE2 GLU A 58 -2.657 -13.675 -16.819 1.00 0.00 O ATOM 0 H GLU A 58 -3.561 -8.721 -14.114 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.108 -11.009 -15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.405 -10.526 -16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.352 -9.368 -17.303 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.804 -11.233 -18.581 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.641 -11.466 -17.291 1.00 0.00 H new ATOM 905 N PHE A 59 -0.331 -9.263 -15.199 1.00 0.00 N ATOM 906 CA PHE A 59 0.736 -8.270 -15.323 1.00 0.00 C ATOM 907 C PHE A 59 1.067 -8.007 -16.788 1.00 0.00 C ATOM 908 O PHE A 59 0.982 -8.896 -17.635 1.00 0.00 O ATOM 909 CB PHE A 59 2.015 -8.710 -14.592 1.00 0.00 C ATOM 910 CG PHE A 59 2.336 -10.158 -14.895 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.785 -10.527 -16.168 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.188 -11.129 -13.896 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.085 -11.867 -16.443 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.489 -12.467 -14.170 1.00 0.00 C ATOM 915 CZ PHE A 59 2.937 -12.837 -15.443 1.00 0.00 C ATOM 0 H PHE A 59 -0.042 -10.158 -14.804 1.00 0.00 H new ATOM 0 HA PHE A 59 0.367 -7.355 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.849 -8.077 -14.895 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.889 -8.578 -13.517 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.900 -9.779 -16.938 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.841 -10.844 -12.914 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.430 -12.153 -17.426 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.376 -13.215 -13.399 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.169 -13.870 -15.655 1.00 0.00 H new ATOM 925 N GLN A 60 1.449 -6.765 -17.068 1.00 0.00 N ATOM 926 CA GLN A 60 1.806 -6.361 -18.425 1.00 0.00 C ATOM 927 C GLN A 60 3.034 -5.462 -18.378 1.00 0.00 C ATOM 928 O GLN A 60 2.924 -4.239 -18.313 1.00 0.00 O ATOM 929 CB GLN A 60 0.652 -5.600 -19.081 1.00 0.00 C ATOM 930 CG GLN A 60 -0.477 -6.577 -19.419 1.00 0.00 C ATOM 931 CD GLN A 60 -0.029 -7.508 -20.540 1.00 0.00 C ATOM 932 OE1 GLN A 60 0.478 -7.054 -21.567 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.185 -8.796 -20.404 1.00 0.00 N ATOM 0 H GLN A 60 1.520 -6.021 -16.374 1.00 0.00 H new ATOM 0 HA GLN A 60 2.018 -7.255 -19.011 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.286 -4.823 -18.409 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.999 -5.101 -19.986 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.746 -7.157 -18.536 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.368 -6.028 -19.723 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.605 -9.172 -19.554 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.113 -9.427 -21.148 1.00 0.00 H new ATOM 942 N LEU A 61 4.206 -6.088 -18.386 1.00 0.00 N ATOM 943 CA LEU A 61 5.461 -5.345 -18.321 1.00 0.00 C ATOM 944 C LEU A 61 5.766 -4.634 -19.637 1.00 0.00 C ATOM 945 O LEU A 61 6.505 -3.650 -19.662 1.00 0.00 O ATOM 946 CB LEU A 61 6.611 -6.293 -17.988 1.00 0.00 C ATOM 947 CG LEU A 61 6.335 -7.274 -16.845 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.556 -8.170 -16.632 1.00 0.00 C ATOM 949 CD2 LEU A 61 6.049 -6.488 -15.566 1.00 0.00 C ATOM 0 H LEU A 61 4.314 -7.101 -18.436 1.00 0.00 H new ATOM 0 HA LEU A 61 5.355 -4.592 -17.540 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.862 -6.863 -18.883 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.488 -5.699 -17.732 1.00 0.00 H new ATOM 0 HG LEU A 61 5.474 -7.893 -17.095 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.358 -8.868 -15.818 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.762 -8.727 -17.546 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.420 -7.554 -16.380 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.852 -7.182 -14.749 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.912 -5.871 -15.317 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.179 -5.850 -15.718 1.00 0.00 H new ATOM 961 N ASP A 62 5.198 -5.135 -20.731 1.00 0.00 N ATOM 962 CA ASP A 62 5.431 -4.523 -22.037 1.00 0.00 C ATOM 963 C ASP A 62 4.966 -3.067 -22.043 1.00 0.00 C ATOM 964 O ASP A 62 5.509 -2.231 -22.764 1.00 0.00 O ATOM 965 CB ASP A 62 4.686 -5.290 -23.130 1.00 0.00 C ATOM 966 CG ASP A 62 5.446 -5.166 -24.447 1.00 0.00 C ATOM 967 OD1 ASP A 62 5.654 -4.047 -24.884 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.809 -6.192 -24.997 1.00 0.00 O ATOM 0 H ASP A 62 4.583 -5.949 -20.742 1.00 0.00 H new ATOM 0 HA ASP A 62 6.502 -4.559 -22.234 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.589 -6.339 -22.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.676 -4.895 -23.242 1.00 0.00 H new ATOM 973 N HIS A 63 3.955 -2.772 -21.226 1.00 0.00 N ATOM 974 CA HIS A 63 3.428 -1.412 -21.144 1.00 0.00 C ATOM 975 C HIS A 63 4.097 -0.648 -20.004 1.00 0.00 C ATOM 976 O HIS A 63 4.273 0.568 -20.074 1.00 0.00 O ATOM 977 CB HIS A 63 1.917 -1.436 -20.910 1.00 0.00 C ATOM 978 CG HIS A 63 1.302 -0.192 -21.492 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.786 1.075 -21.206 1.00 0.00 N ATOM 980 CD2 HIS A 63 0.244 -0.005 -22.347 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.027 1.959 -21.878 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.073 1.354 -22.590 1.00 0.00 N ATOM 0 H HIS A 63 3.490 -3.447 -20.619 1.00 0.00 H new ATOM 0 HA HIS A 63 3.640 -0.912 -22.089 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.480 -2.321 -21.372 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.704 -1.495 -19.843 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.574 1.296 -20.597 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.363 -0.793 -22.767 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.172 3.029 -21.846 1.00 0.00 H new ATOM 990 N ILE A 64 4.467 -1.375 -18.953 1.00 0.00 N ATOM 991 CA ILE A 64 5.119 -0.757 -17.801 1.00 0.00 C ATOM 992 C ILE A 64 6.497 -0.231 -18.197 1.00 0.00 C ATOM 993 O ILE A 64 6.833 0.924 -17.939 1.00 0.00 O ATOM 994 CB ILE A 64 5.260 -1.779 -16.661 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.871 -2.273 -16.255 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.935 -1.136 -15.444 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.993 -3.622 -15.545 1.00 0.00 C ATOM 0 H ILE A 64 4.329 -2.383 -18.874 1.00 0.00 H new ATOM 0 HA ILE A 64 4.505 0.076 -17.458 1.00 0.00 H new ATOM 0 HB ILE A 64 5.872 -2.611 -17.009 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.394 -1.547 -15.597 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.237 -2.371 -17.136 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.027 -1.874 -14.647 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.926 -0.779 -15.724 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.333 -0.297 -15.095 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.002 -3.972 -15.256 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.453 -4.347 -16.217 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.612 -3.510 -14.655 1.00 0.00 H new ATOM 1009 N LYS A 65 7.292 -1.094 -18.830 1.00 0.00 N ATOM 1010 CA LYS A 65 8.639 -0.710 -19.258 1.00 0.00 C ATOM 1011 C LYS A 65 8.609 0.561 -20.115 1.00 0.00 C ATOM 1012 O LYS A 65 9.410 1.477 -19.919 1.00 0.00 O ATOM 1013 CB LYS A 65 9.299 -1.852 -20.048 1.00 0.00 C ATOM 1014 CG LYS A 65 8.505 -2.152 -21.325 1.00 0.00 C ATOM 1015 CD LYS A 65 8.853 -3.556 -21.832 1.00 0.00 C ATOM 1016 CE LYS A 65 10.336 -3.622 -22.204 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.590 -4.653 -23.250 1.00 0.00 N ATOM 0 H LYS A 65 7.031 -2.054 -19.056 1.00 0.00 H new ATOM 0 HA LYS A 65 9.225 -0.508 -18.361 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.323 -1.580 -20.305 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.353 -2.747 -19.428 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.436 -2.082 -21.125 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.735 -1.411 -22.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.628 -4.296 -21.064 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.240 -3.801 -22.699 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.666 -2.648 -22.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.925 -3.850 -21.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.604 -4.672 -23.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.297 -5.586 -22.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.046 -4.421 -24.105 1.00 0.00 H new ATOM 1031 N THR A 66 7.675 0.606 -21.063 1.00 0.00 N ATOM 1032 CA THR A 66 7.545 1.763 -21.947 1.00 0.00 C ATOM 1033 C THR A 66 7.237 3.029 -21.151 1.00 0.00 C ATOM 1034 O THR A 66 7.840 4.080 -21.374 1.00 0.00 O ATOM 1035 CB THR A 66 6.421 1.534 -22.961 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.298 0.142 -23.222 1.00 0.00 O ATOM 1037 CG2 THR A 66 6.748 2.271 -24.261 1.00 0.00 C ATOM 0 H THR A 66 7.001 -0.140 -21.238 1.00 0.00 H new ATOM 0 HA THR A 66 8.495 1.888 -22.467 1.00 0.00 H new ATOM 0 HB THR A 66 5.482 1.913 -22.557 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.647 -0.251 -22.604 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.948 2.108 -24.983 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.844 3.338 -24.060 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.686 1.893 -24.668 1.00 0.00 H new ATOM 1045 N LYS A 67 6.280 2.923 -20.236 1.00 0.00 N ATOM 1046 CA LYS A 67 5.881 4.069 -19.421 1.00 0.00 C ATOM 1047 C LYS A 67 7.033 4.545 -18.542 1.00 0.00 C ATOM 1048 O LYS A 67 7.319 5.740 -18.466 1.00 0.00 O ATOM 1049 CB LYS A 67 4.692 3.702 -18.531 1.00 0.00 C ATOM 1050 CG LYS A 67 3.459 3.459 -19.404 1.00 0.00 C ATOM 1051 CD LYS A 67 2.804 4.798 -19.748 1.00 0.00 C ATOM 1052 CE LYS A 67 1.815 5.179 -18.645 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.696 6.006 -19.178 1.00 0.00 N ATOM 0 H LYS A 67 5.768 2.063 -20.039 1.00 0.00 H new ATOM 0 HA LYS A 67 5.597 4.873 -20.100 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.921 2.809 -17.949 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.495 4.504 -17.820 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.744 2.937 -20.317 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.749 2.819 -18.879 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.565 5.571 -19.852 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.288 4.727 -20.706 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.414 4.275 -18.186 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.336 5.730 -17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.044 6.247 -18.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.077 6.879 -19.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.185 5.469 -19.908 1.00 0.00 H new ATOM 1067 N PHE A 68 7.690 3.603 -17.874 1.00 0.00 N ATOM 1068 CA PHE A 68 8.808 3.949 -17.001 1.00 0.00 C ATOM 1069 C PHE A 68 9.981 4.505 -17.808 1.00 0.00 C ATOM 1070 O PHE A 68 10.829 5.220 -17.273 1.00 0.00 O ATOM 1071 CB PHE A 68 9.277 2.725 -16.215 1.00 0.00 C ATOM 1072 CG PHE A 68 8.434 2.575 -14.971 1.00 0.00 C ATOM 1073 CD1 PHE A 68 8.356 3.625 -14.048 1.00 0.00 C ATOM 1074 CD2 PHE A 68 7.733 1.387 -14.739 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.576 3.486 -12.894 1.00 0.00 C ATOM 1076 CE2 PHE A 68 6.951 1.248 -13.586 1.00 0.00 C ATOM 1077 CZ PHE A 68 6.872 2.297 -12.663 1.00 0.00 C ATOM 0 H PHE A 68 7.473 2.607 -17.918 1.00 0.00 H new ATOM 0 HA PHE A 68 8.458 4.713 -16.307 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.197 1.830 -16.832 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.328 2.833 -15.945 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.898 4.542 -14.226 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.795 0.576 -15.450 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.517 4.296 -12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.409 0.331 -13.409 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.269 2.190 -11.773 1.00 0.00 H new ATOM 1087 N LYS A 69 10.028 4.176 -19.099 1.00 0.00 N ATOM 1088 CA LYS A 69 11.109 4.661 -19.952 1.00 0.00 C ATOM 1089 C LYS A 69 10.933 6.152 -20.224 1.00 0.00 C ATOM 1090 O LYS A 69 11.713 6.979 -19.752 1.00 0.00 O ATOM 1091 CB LYS A 69 11.130 3.901 -21.283 1.00 0.00 C ATOM 1092 CG LYS A 69 12.580 3.685 -21.729 1.00 0.00 C ATOM 1093 CD LYS A 69 12.705 2.335 -22.443 1.00 0.00 C ATOM 1094 CE LYS A 69 14.016 1.658 -22.039 1.00 0.00 C ATOM 1095 NZ LYS A 69 13.843 0.828 -20.813 1.00 0.00 N ATOM 0 H LYS A 69 9.342 3.586 -19.569 1.00 0.00 H new ATOM 0 HA LYS A 69 12.053 4.494 -19.434 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.626 2.941 -21.173 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.585 4.462 -22.042 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.889 4.490 -22.396 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.244 3.713 -20.865 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.860 1.697 -22.185 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.677 2.480 -23.523 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.371 1.032 -22.857 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.780 2.416 -21.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.749 0.382 -20.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.527 1.431 -20.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.132 0.090 -20.991 1.00 0.00 H new ATOM 1109 N GLU A 70 9.889 6.490 -20.985 1.00 0.00 N ATOM 1110 CA GLU A 70 9.607 7.891 -21.313 1.00 0.00 C ATOM 1111 C GLU A 70 9.517 8.736 -20.040 1.00 0.00 C ATOM 1112 O GLU A 70 8.894 8.337 -19.056 1.00 0.00 O ATOM 1113 CB GLU A 70 8.287 8.005 -22.081 1.00 0.00 C ATOM 1114 CG GLU A 70 7.159 7.365 -21.267 1.00 0.00 C ATOM 1115 CD GLU A 70 5.842 7.510 -22.021 1.00 0.00 C ATOM 1116 OE1 GLU A 70 5.824 7.210 -23.205 1.00 0.00 O ATOM 1117 OE2 GLU A 70 4.871 7.918 -21.407 1.00 0.00 O ATOM 0 H GLU A 70 9.230 5.820 -21.383 1.00 0.00 H new ATOM 0 HA GLU A 70 10.423 8.260 -21.934 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.058 9.053 -22.276 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.375 7.512 -23.049 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.376 6.311 -21.091 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.085 7.842 -20.290 1.00 0.00 H new ATOM 1124 N ASN A 71 10.156 9.904 -20.067 1.00 0.00 N ATOM 1125 CA ASN A 71 10.149 10.794 -18.905 1.00 0.00 C ATOM 1126 C ASN A 71 10.780 10.096 -17.703 1.00 0.00 C ATOM 1127 O ASN A 71 10.084 9.522 -16.864 1.00 0.00 O ATOM 1128 CB ASN A 71 8.718 11.206 -18.549 1.00 0.00 C ATOM 1129 CG ASN A 71 8.328 12.439 -19.357 1.00 0.00 C ATOM 1130 OD1 ASN A 71 9.159 13.309 -19.615 1.00 0.00 O ATOM 1131 ND2 ASN A 71 7.098 12.567 -19.775 1.00 0.00 N ATOM 0 H ASN A 71 10.679 10.254 -20.869 1.00 0.00 H new ATOM 0 HA ASN A 71 10.726 11.684 -19.158 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.030 10.388 -18.759 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.644 11.419 -17.482 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.826 13.388 -20.315 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.409 11.846 -19.561 1.00 0.00 H new ATOM 1138 N SER A 72 12.106 10.147 -17.635 1.00 0.00 N ATOM 1139 CA SER A 72 12.827 9.509 -16.533 1.00 0.00 C ATOM 1140 C SER A 72 14.244 10.067 -16.416 1.00 0.00 C ATOM 1141 O SER A 72 14.737 10.317 -15.316 1.00 0.00 O ATOM 1142 CB SER A 72 12.905 7.998 -16.752 1.00 0.00 C ATOM 1143 OG SER A 72 12.873 7.339 -15.494 1.00 0.00 O ATOM 0 H SER A 72 12.700 10.616 -18.319 1.00 0.00 H new ATOM 0 HA SER A 72 12.282 9.719 -15.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.072 7.665 -17.371 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.821 7.743 -17.286 1.00 0.00 H new ATOM 0 HG SER A 72 12.921 6.370 -15.631 1.00 0.00 H new ATOM 1149 N GLU A 73 14.900 10.252 -17.565 1.00 0.00 N ATOM 1150 CA GLU A 73 16.274 10.775 -17.597 1.00 0.00 C ATOM 1151 C GLU A 73 17.288 9.705 -17.172 1.00 0.00 C ATOM 1152 O GLU A 73 18.472 9.998 -17.004 1.00 0.00 O ATOM 1153 CB GLU A 73 16.430 11.998 -16.682 1.00 0.00 C ATOM 1154 CG GLU A 73 17.474 12.948 -17.274 1.00 0.00 C ATOM 1155 CD GLU A 73 16.777 14.014 -18.113 1.00 0.00 C ATOM 1156 OE1 GLU A 73 16.215 14.926 -17.528 1.00 0.00 O ATOM 1157 OE2 GLU A 73 16.816 13.903 -19.327 1.00 0.00 O ATOM 0 H GLU A 73 14.506 10.049 -18.484 1.00 0.00 H new ATOM 0 HA GLU A 73 16.472 11.070 -18.627 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.474 12.511 -16.577 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.734 11.682 -15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.048 13.417 -16.475 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.180 12.391 -17.889 1.00 0.00 H new ATOM 1164 N HIS A 74 16.826 8.462 -17.009 1.00 0.00 N ATOM 1165 CA HIS A 74 17.718 7.377 -16.617 1.00 0.00 C ATOM 1166 C HIS A 74 17.210 6.039 -17.177 1.00 0.00 C ATOM 1167 O HIS A 74 17.063 5.061 -16.440 1.00 0.00 O ATOM 1168 CB HIS A 74 17.811 7.289 -15.089 1.00 0.00 C ATOM 1169 CG HIS A 74 18.647 8.427 -14.571 1.00 0.00 C ATOM 1170 ND1 HIS A 74 19.931 8.672 -15.033 1.00 0.00 N ATOM 1171 CD2 HIS A 74 18.396 9.395 -13.630 1.00 0.00 C ATOM 1172 CE1 HIS A 74 20.401 9.748 -14.375 1.00 0.00 C ATOM 1173 NE2 HIS A 74 19.505 10.228 -13.509 1.00 0.00 N ATOM 0 H HIS A 74 15.852 8.188 -17.141 1.00 0.00 H new ATOM 0 HA HIS A 74 18.708 7.583 -17.025 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.814 7.327 -14.651 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.252 6.337 -14.795 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.478 9.495 -13.069 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.383 10.171 -14.529 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.610 11.033 -12.891 1.00 0.00 H new ATOM 1181 N PRO A 75 16.932 5.978 -18.489 1.00 0.00 N ATOM 1182 CA PRO A 75 16.437 4.748 -19.127 1.00 0.00 C ATOM 1183 C PRO A 75 17.536 3.703 -19.303 1.00 0.00 C ATOM 1184 O PRO A 75 18.397 3.830 -20.175 1.00 0.00 O ATOM 1185 CB PRO A 75 15.932 5.217 -20.489 1.00 0.00 C ATOM 1186 CG PRO A 75 16.702 6.458 -20.785 1.00 0.00 C ATOM 1187 CD PRO A 75 17.067 7.076 -19.465 1.00 0.00 C ATOM 0 HA PRO A 75 15.671 4.264 -18.521 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.099 4.458 -21.254 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.860 5.415 -20.465 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.597 6.228 -21.363 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.106 7.148 -21.382 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.083 7.470 -19.480 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.406 7.907 -19.220 1.00 0.00 H new ATOM 1195 N GLU A 76 17.497 2.667 -18.468 1.00 0.00 N ATOM 1196 CA GLU A 76 18.496 1.600 -18.542 1.00 0.00 C ATOM 1197 C GLU A 76 18.244 0.552 -17.462 1.00 0.00 C ATOM 1198 O GLU A 76 18.413 -0.647 -17.688 1.00 0.00 O ATOM 1199 CB GLU A 76 19.908 2.167 -18.359 1.00 0.00 C ATOM 1200 CG GLU A 76 19.970 2.980 -17.065 1.00 0.00 C ATOM 1201 CD GLU A 76 21.162 3.930 -17.117 1.00 0.00 C ATOM 1202 OE1 GLU A 76 22.259 3.459 -17.369 1.00 0.00 O ATOM 1203 OE2 GLU A 76 20.961 5.114 -16.905 1.00 0.00 O ATOM 0 H GLU A 76 16.794 2.543 -17.740 1.00 0.00 H new ATOM 0 HA GLU A 76 18.414 1.138 -19.526 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.635 1.356 -18.326 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.171 2.797 -19.209 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.047 3.545 -16.933 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.060 2.313 -16.208 1.00 0.00 H new ATOM 1210 N LYS A 77 17.843 1.019 -16.283 1.00 0.00 N ATOM 1211 CA LYS A 77 17.575 0.114 -15.166 1.00 0.00 C ATOM 1212 C LYS A 77 16.094 -0.273 -15.097 1.00 0.00 C ATOM 1213 O LYS A 77 15.725 -1.207 -14.384 1.00 0.00 O ATOM 1214 CB LYS A 77 17.975 0.775 -13.846 1.00 0.00 C ATOM 1215 CG LYS A 77 19.497 0.743 -13.699 1.00 0.00 C ATOM 1216 CD LYS A 77 19.964 -0.705 -13.532 1.00 0.00 C ATOM 1217 CE LYS A 77 21.381 -0.721 -12.957 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.406 -0.771 -14.038 1.00 0.00 N ATOM 0 H LYS A 77 17.697 2.007 -16.076 1.00 0.00 H new ATOM 0 HA LYS A 77 18.165 -0.788 -15.329 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.618 1.805 -13.820 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.507 0.255 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.967 1.189 -14.576 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.802 1.336 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.285 -1.243 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.945 -1.218 -14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.537 0.168 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.499 -1.583 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.356 -0.781 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.271 -1.632 -14.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.307 0.065 -14.649 1.00 0.00 H new ATOM 1232 N VAL A 78 15.244 0.448 -15.832 1.00 0.00 N ATOM 1233 CA VAL A 78 13.812 0.155 -15.821 1.00 0.00 C ATOM 1234 C VAL A 78 13.545 -1.282 -16.277 1.00 0.00 C ATOM 1235 O VAL A 78 12.833 -2.030 -15.612 1.00 0.00 O ATOM 1236 CB VAL A 78 13.059 1.132 -16.735 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.554 0.839 -16.702 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.298 2.563 -16.249 1.00 0.00 C ATOM 0 H VAL A 78 15.518 1.226 -16.432 1.00 0.00 H new ATOM 0 HA VAL A 78 13.454 0.271 -14.798 1.00 0.00 H new ATOM 0 HB VAL A 78 13.424 1.014 -17.755 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.033 1.539 -17.355 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.374 -0.180 -17.045 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.184 0.949 -15.683 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.765 3.261 -16.895 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.934 2.665 -15.227 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.365 2.784 -16.279 1.00 0.00 H new ATOM 1248 N ASP A 79 14.114 -1.658 -17.422 1.00 0.00 N ATOM 1249 CA ASP A 79 13.913 -3.012 -17.964 1.00 0.00 C ATOM 1250 C ASP A 79 14.133 -4.089 -16.896 1.00 0.00 C ATOM 1251 O ASP A 79 13.283 -4.956 -16.691 1.00 0.00 O ATOM 1252 CB ASP A 79 14.856 -3.277 -19.148 1.00 0.00 C ATOM 1253 CG ASP A 79 16.273 -2.819 -18.810 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.561 -1.651 -19.014 1.00 0.00 O ATOM 1255 OD2 ASP A 79 17.047 -3.642 -18.353 1.00 0.00 O ATOM 0 H ASP A 79 14.711 -1.057 -17.990 1.00 0.00 H new ATOM 0 HA ASP A 79 12.879 -3.064 -18.305 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.858 -4.340 -19.389 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.497 -2.750 -20.032 1.00 0.00 H new ATOM 1260 N ASP A 80 15.273 -4.023 -16.215 1.00 0.00 N ATOM 1261 CA ASP A 80 15.582 -4.999 -15.173 1.00 0.00 C ATOM 1262 C ASP A 80 14.672 -4.801 -13.963 1.00 0.00 C ATOM 1263 O ASP A 80 14.216 -5.765 -13.347 1.00 0.00 O ATOM 1264 CB ASP A 80 17.039 -4.862 -14.726 1.00 0.00 C ATOM 1265 CG ASP A 80 17.950 -5.537 -15.745 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.729 -6.704 -16.024 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.853 -4.877 -16.232 1.00 0.00 O ATOM 0 H ASP A 80 15.991 -3.314 -16.362 1.00 0.00 H new ATOM 0 HA ASP A 80 15.420 -5.993 -15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.303 -3.809 -14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.174 -5.317 -13.745 1.00 0.00 H new ATOM 1272 N LEU A 81 14.422 -3.540 -13.625 1.00 0.00 N ATOM 1273 CA LEU A 81 13.574 -3.218 -12.479 1.00 0.00 C ATOM 1274 C LEU A 81 12.145 -3.716 -12.699 1.00 0.00 C ATOM 1275 O LEU A 81 11.487 -4.178 -11.769 1.00 0.00 O ATOM 1276 CB LEU A 81 13.559 -1.702 -12.240 1.00 0.00 C ATOM 1277 CG LEU A 81 14.509 -1.194 -11.149 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.032 -1.689 -9.784 1.00 0.00 C ATOM 1279 CD2 LEU A 81 15.926 -1.716 -11.411 1.00 0.00 C ATOM 0 H LEU A 81 14.790 -2.729 -14.123 1.00 0.00 H new ATOM 0 HA LEU A 81 13.987 -3.719 -11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.809 -1.202 -13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.543 -1.403 -11.980 1.00 0.00 H new ATOM 0 HG LEU A 81 14.517 -0.104 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.708 -1.327 -9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.027 -1.314 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.021 -2.779 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.597 -1.352 -10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.919 -2.806 -11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.271 -1.361 -12.382 1.00 0.00 H new ATOM 1291 N VAL A 82 11.672 -3.615 -13.937 1.00 0.00 N ATOM 1292 CA VAL A 82 10.317 -4.056 -14.261 1.00 0.00 C ATOM 1293 C VAL A 82 10.170 -5.557 -14.004 1.00 0.00 C ATOM 1294 O VAL A 82 9.393 -5.980 -13.150 1.00 0.00 O ATOM 1295 CB VAL A 82 9.993 -3.749 -15.733 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.560 -4.187 -16.062 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.133 -2.241 -15.986 1.00 0.00 C ATOM 0 H VAL A 82 12.198 -3.237 -14.725 1.00 0.00 H new ATOM 0 HA VAL A 82 9.618 -3.516 -13.622 1.00 0.00 H new ATOM 0 HB VAL A 82 10.689 -4.296 -16.369 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.342 -3.965 -17.107 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.459 -5.259 -15.890 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.859 -3.649 -15.423 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.903 -2.024 -17.029 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.441 -1.698 -15.342 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.154 -1.929 -15.767 1.00 0.00 H new ATOM 1307 N ALA A 83 10.918 -6.353 -14.760 1.00 0.00 N ATOM 1308 CA ALA A 83 10.857 -7.806 -14.614 1.00 0.00 C ATOM 1309 C ALA A 83 11.241 -8.238 -13.199 1.00 0.00 C ATOM 1310 O ALA A 83 10.676 -9.184 -12.650 1.00 0.00 O ATOM 1311 CB ALA A 83 11.802 -8.480 -15.610 1.00 0.00 C ATOM 0 H ALA A 83 11.568 -6.023 -15.474 1.00 0.00 H new ATOM 0 HA ALA A 83 9.829 -8.112 -14.811 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.746 -9.562 -15.490 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.511 -8.212 -16.626 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.823 -8.147 -15.425 1.00 0.00 H new ATOM 1317 N LYS A 84 12.223 -7.549 -12.625 1.00 0.00 N ATOM 1318 CA LYS A 84 12.699 -7.883 -11.282 1.00 0.00 C ATOM 1319 C LYS A 84 11.690 -7.486 -10.203 1.00 0.00 C ATOM 1320 O LYS A 84 11.496 -8.210 -9.228 1.00 0.00 O ATOM 1321 CB LYS A 84 14.025 -7.174 -10.999 1.00 0.00 C ATOM 1322 CG LYS A 84 14.638 -7.731 -9.713 1.00 0.00 C ATOM 1323 CD LYS A 84 15.517 -6.660 -9.062 1.00 0.00 C ATOM 1324 CE LYS A 84 14.689 -5.861 -8.055 1.00 0.00 C ATOM 1325 NZ LYS A 84 15.543 -4.928 -7.265 1.00 0.00 N ATOM 0 H LYS A 84 12.703 -6.762 -13.062 1.00 0.00 H new ATOM 0 HA LYS A 84 12.833 -8.964 -11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.712 -7.318 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.862 -6.101 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.850 -8.038 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.231 -8.618 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.366 -7.126 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.922 -5.995 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.920 -5.295 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.175 -6.545 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.951 -4.401 -6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.261 -5.471 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.014 -4.260 -7.908 1.00 0.00 H new ATOM 1339 N CYS A 85 11.069 -6.323 -10.371 1.00 0.00 N ATOM 1340 CA CYS A 85 10.105 -5.841 -9.379 1.00 0.00 C ATOM 1341 C CYS A 85 8.682 -6.318 -9.673 1.00 0.00 C ATOM 1342 O CYS A 85 7.810 -6.250 -8.806 1.00 0.00 O ATOM 1343 CB CYS A 85 10.104 -4.313 -9.333 1.00 0.00 C ATOM 1344 SG CYS A 85 11.759 -3.720 -8.892 1.00 0.00 S ATOM 0 H CYS A 85 11.210 -5.703 -11.169 1.00 0.00 H new ATOM 0 HA CYS A 85 10.417 -6.251 -8.419 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.808 -3.910 -10.301 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.374 -3.961 -8.604 1.00 0.00 H new ATOM 1349 N ALA A 86 8.439 -6.790 -10.894 1.00 0.00 N ATOM 1350 CA ALA A 86 7.100 -7.253 -11.264 1.00 0.00 C ATOM 1351 C ALA A 86 6.863 -8.713 -10.847 1.00 0.00 C ATOM 1352 O ALA A 86 6.362 -9.523 -11.629 1.00 0.00 O ATOM 1353 CB ALA A 86 6.899 -7.123 -12.775 1.00 0.00 C ATOM 0 H ALA A 86 9.137 -6.862 -11.634 1.00 0.00 H new ATOM 0 HA ALA A 86 6.382 -6.626 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.900 -7.470 -13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.011 -6.079 -13.068 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.643 -7.727 -13.294 1.00 0.00 H new ATOM 1359 N VAL A 87 7.211 -9.044 -9.603 1.00 0.00 N ATOM 1360 CA VAL A 87 7.016 -10.404 -9.107 1.00 0.00 C ATOM 1361 C VAL A 87 5.530 -10.757 -9.082 1.00 0.00 C ATOM 1362 O VAL A 87 4.752 -10.167 -8.334 1.00 0.00 O ATOM 1363 CB VAL A 87 7.587 -10.544 -7.692 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.100 -10.313 -7.729 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.935 -9.510 -6.765 1.00 0.00 C ATOM 0 H VAL A 87 7.624 -8.398 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 87 7.538 -11.085 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 87 7.379 -11.546 -7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.508 -10.412 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.565 -11.050 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.306 -9.312 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.344 -9.613 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.139 -8.507 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.858 -9.674 -6.737 1.00 0.00 H new ATOM 1375 N LYS A 88 5.145 -11.732 -9.901 1.00 0.00 N ATOM 1376 CA LYS A 88 3.747 -12.156 -9.947 1.00 0.00 C ATOM 1377 C LYS A 88 3.347 -12.771 -8.607 1.00 0.00 C ATOM 1378 O LYS A 88 3.845 -13.829 -8.222 1.00 0.00 O ATOM 1379 CB LYS A 88 3.525 -13.181 -11.066 1.00 0.00 C ATOM 1380 CG LYS A 88 4.434 -14.395 -10.853 1.00 0.00 C ATOM 1381 CD LYS A 88 4.831 -14.982 -12.208 1.00 0.00 C ATOM 1382 CE LYS A 88 5.440 -16.370 -12.004 1.00 0.00 C ATOM 1383 NZ LYS A 88 5.907 -16.955 -13.294 1.00 0.00 N ATOM 0 H LYS A 88 5.768 -12.236 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 88 3.130 -11.280 -10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.482 -13.496 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.734 -12.726 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.325 -14.102 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.919 -15.148 -10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.958 -15.048 -12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.548 -14.328 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.277 -16.303 -11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.701 -17.030 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.315 -17.896 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.103 -17.041 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.630 -16.337 -13.714 1.00 0.00 H new ATOM 1397 N LYS A 89 2.453 -12.090 -7.893 1.00 0.00 N ATOM 1398 CA LYS A 89 2.009 -12.575 -6.589 1.00 0.00 C ATOM 1399 C LYS A 89 0.685 -13.325 -6.703 1.00 0.00 C ATOM 1400 O LYS A 89 0.143 -13.505 -7.793 1.00 0.00 O ATOM 1401 CB LYS A 89 1.839 -11.408 -5.613 1.00 0.00 C ATOM 1402 CG LYS A 89 3.156 -11.168 -4.871 1.00 0.00 C ATOM 1403 CD LYS A 89 3.327 -9.673 -4.599 1.00 0.00 C ATOM 1404 CE LYS A 89 4.690 -9.426 -3.950 1.00 0.00 C ATOM 1405 NZ LYS A 89 4.627 -9.603 -2.471 1.00 0.00 N ATOM 0 H LYS A 89 2.027 -11.212 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 89 2.773 -13.257 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.544 -10.508 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.043 -11.628 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.162 -11.722 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.992 -11.538 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.248 -9.112 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.531 -9.318 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.425 -10.113 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.028 -8.416 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.566 -9.429 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.943 -8.930 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.327 -10.574 -2.250 1.00 0.00 H new ATOM 1419 N ASP A 90 0.180 -13.768 -5.554 1.00 0.00 N ATOM 1420 CA ASP A 90 -1.077 -14.511 -5.509 1.00 0.00 C ATOM 1421 C ASP A 90 -2.269 -13.629 -5.891 1.00 0.00 C ATOM 1422 O ASP A 90 -3.348 -14.135 -6.201 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.311 -15.073 -4.106 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.252 -13.940 -3.087 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.206 -13.324 -2.976 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.255 -13.705 -2.433 1.00 0.00 O ATOM 0 H ASP A 90 0.620 -13.626 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.997 -15.324 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.281 -15.569 -4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.557 -15.825 -3.874 1.00 0.00 H new ATOM 1431 N THR A 91 -2.078 -12.309 -5.861 1.00 0.00 N ATOM 1432 CA THR A 91 -3.165 -11.396 -6.204 1.00 0.00 C ATOM 1433 C THR A 91 -2.626 -10.175 -6.954 1.00 0.00 C ATOM 1434 O THR A 91 -1.467 -9.797 -6.787 1.00 0.00 O ATOM 1435 CB THR A 91 -3.887 -10.926 -4.940 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.979 -10.930 -3.848 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.055 -11.867 -4.639 1.00 0.00 C ATOM 0 H THR A 91 -1.199 -11.857 -5.608 1.00 0.00 H new ATOM 0 HA THR A 91 -3.865 -11.933 -6.844 1.00 0.00 H new ATOM 0 HB THR A 91 -4.267 -9.916 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.886 -11.843 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.569 -11.532 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.751 -11.862 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.678 -12.878 -4.486 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.463 -9.548 -7.793 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.056 -8.368 -8.570 1.00 0.00 C ATOM 1447 C PRO A 92 -2.869 -7.125 -7.702 1.00 0.00 C ATOM 1448 O PRO A 92 -1.861 -6.426 -7.810 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.200 -8.164 -9.556 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.386 -8.797 -8.919 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.865 -9.918 -8.064 1.00 0.00 C ATOM 0 HA PRO A 92 -2.090 -8.523 -9.050 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.373 -7.104 -9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.977 -8.626 -10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.935 -8.073 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.077 -9.174 -9.674 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.437 -10.013 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.931 -10.876 -8.580 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.849 -6.854 -6.841 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.773 -5.687 -5.961 1.00 0.00 C ATOM 1461 C GLN A 93 -2.502 -5.720 -5.110 1.00 0.00 C ATOM 1462 O GLN A 93 -2.028 -4.684 -4.645 1.00 0.00 O ATOM 1463 CB GLN A 93 -4.999 -5.614 -5.043 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.097 -6.885 -4.190 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.268 -7.741 -4.665 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.089 -8.669 -5.453 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.469 -7.481 -4.227 1.00 0.00 N ATOM 0 H GLN A 93 -4.693 -7.416 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.749 -4.802 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.928 -4.738 -4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.903 -5.497 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.169 -7.452 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.231 -6.620 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.618 -6.712 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.259 -8.047 -4.538 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.947 -6.916 -4.920 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.725 -7.052 -4.137 1.00 0.00 C ATOM 1478 C HIS A 94 0.467 -6.594 -4.969 1.00 0.00 C ATOM 1479 O HIS A 94 1.096 -5.578 -4.674 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.515 -8.510 -3.712 1.00 0.00 C ATOM 1481 CG HIS A 94 0.164 -8.551 -2.370 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.109 -9.666 -1.547 1.00 0.00 N ATOM 1483 CD2 HIS A 94 0.919 -7.623 -1.694 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.811 -9.384 -0.434 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.326 -8.152 -0.473 1.00 0.00 N ATOM 0 H HIS A 94 -2.318 -7.790 -5.292 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.815 -6.434 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.474 -9.027 -3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.090 -9.032 -4.453 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.375 -10.541 -1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.160 -6.634 -2.055 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.942 -10.070 0.390 1.00 0.00 H new ATOM 1493 N SER A 95 0.760 -7.353 -6.027 1.00 0.00 N ATOM 1494 CA SER A 95 1.870 -7.024 -6.926 1.00 0.00 C ATOM 1495 C SER A 95 1.808 -5.561 -7.378 1.00 0.00 C ATOM 1496 O SER A 95 2.828 -4.952 -7.699 1.00 0.00 O ATOM 1497 CB SER A 95 1.835 -7.924 -8.161 1.00 0.00 C ATOM 1498 OG SER A 95 0.747 -7.538 -8.992 1.00 0.00 O ATOM 0 H SER A 95 0.247 -8.197 -6.282 1.00 0.00 H new ATOM 0 HA SER A 95 2.796 -7.184 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.773 -7.844 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.728 -8.967 -7.863 1.00 0.00 H new ATOM 0 HG SER A 95 0.991 -6.735 -9.498 1.00 0.00 H new ATOM 1504 N SER A 96 0.593 -5.008 -7.403 1.00 0.00 N ATOM 1505 CA SER A 96 0.398 -3.617 -7.823 1.00 0.00 C ATOM 1506 C SER A 96 1.265 -2.668 -6.998 1.00 0.00 C ATOM 1507 O SER A 96 2.018 -1.861 -7.543 1.00 0.00 O ATOM 1508 CB SER A 96 -1.070 -3.213 -7.675 1.00 0.00 C ATOM 1509 OG SER A 96 -1.359 -2.964 -6.305 1.00 0.00 O ATOM 0 H SER A 96 -0.263 -5.496 -7.140 1.00 0.00 H new ATOM 0 HA SER A 96 0.692 -3.545 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.274 -2.322 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.716 -4.004 -8.056 1.00 0.00 H new ATOM 0 HG SER A 96 -1.238 -3.789 -5.790 1.00 0.00 H new ATOM 1515 N ALA A 97 1.149 -2.773 -5.677 1.00 0.00 N ATOM 1516 CA ALA A 97 1.927 -1.918 -4.782 1.00 0.00 C ATOM 1517 C ALA A 97 3.424 -2.109 -5.019 1.00 0.00 C ATOM 1518 O ALA A 97 4.208 -1.165 -4.929 1.00 0.00 O ATOM 1519 CB ALA A 97 1.611 -2.245 -3.321 1.00 0.00 C ATOM 0 H ALA A 97 0.531 -3.434 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 97 1.657 -0.883 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.199 -1.599 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.550 -2.082 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.859 -3.287 -3.120 1.00 0.00 H new ATOM 1525 N ASP A 98 3.807 -3.346 -5.320 1.00 0.00 N ATOM 1526 CA ASP A 98 5.212 -3.664 -5.564 1.00 0.00 C ATOM 1527 C ASP A 98 5.756 -2.862 -6.745 1.00 0.00 C ATOM 1528 O ASP A 98 6.929 -2.486 -6.765 1.00 0.00 O ATOM 1529 CB ASP A 98 5.380 -5.156 -5.858 1.00 0.00 C ATOM 1530 CG ASP A 98 4.902 -5.968 -4.659 1.00 0.00 C ATOM 1531 OD1 ASP A 98 3.714 -6.233 -4.584 1.00 0.00 O ATOM 1532 OD2 ASP A 98 5.733 -6.311 -3.833 1.00 0.00 O ATOM 0 H ASP A 98 3.171 -4.139 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 98 5.770 -3.402 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.810 -5.429 -6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.426 -5.380 -6.069 1.00 0.00 H new ATOM 1537 N PHE A 99 4.900 -2.611 -7.732 1.00 0.00 N ATOM 1538 CA PHE A 99 5.323 -1.857 -8.913 1.00 0.00 C ATOM 1539 C PHE A 99 5.495 -0.380 -8.574 1.00 0.00 C ATOM 1540 O PHE A 99 6.356 0.302 -9.133 1.00 0.00 O ATOM 1541 CB PHE A 99 4.303 -1.984 -10.060 1.00 0.00 C ATOM 1542 CG PHE A 99 3.762 -3.403 -10.178 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.568 -4.514 -9.878 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.442 -3.598 -10.599 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.050 -5.809 -9.999 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.925 -4.893 -10.718 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.728 -5.998 -10.418 1.00 0.00 C ATOM 0 H PHE A 99 3.925 -2.912 -7.741 1.00 0.00 H new ATOM 0 HA PHE A 99 6.275 -2.278 -9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.477 -1.293 -9.891 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.774 -1.695 -11.000 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.588 -4.369 -9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.820 -2.747 -10.833 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.671 -6.662 -9.769 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.905 -5.039 -11.042 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.328 -6.997 -10.510 1.00 0.00 H new ATOM 1557 N PHE A 100 4.667 0.110 -7.656 1.00 0.00 N ATOM 1558 CA PHE A 100 4.739 1.514 -7.254 1.00 0.00 C ATOM 1559 C PHE A 100 5.506 1.654 -5.940 1.00 0.00 C ATOM 1560 O PHE A 100 5.227 2.539 -5.131 1.00 0.00 O ATOM 1561 CB PHE A 100 3.327 2.094 -7.082 1.00 0.00 C ATOM 1562 CG PHE A 100 3.262 3.484 -7.680 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.198 4.456 -7.304 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.264 3.797 -8.609 1.00 0.00 C ATOM 1565 CE1 PHE A 100 4.135 5.740 -7.859 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.201 5.081 -9.164 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.137 6.052 -8.788 1.00 0.00 C ATOM 0 H PHE A 100 3.947 -0.434 -7.181 1.00 0.00 H new ATOM 0 HA PHE A 100 5.262 2.065 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.597 1.446 -7.567 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.067 2.132 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.968 4.215 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.542 3.048 -8.898 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.857 6.489 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 100 1.431 5.322 -9.882 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.088 7.043 -9.216 1.00 0.00 H new ATOM 1577 N LYS A 101 6.478 0.769 -5.739 1.00 0.00 N ATOM 1578 CA LYS A 101 7.287 0.798 -4.523 1.00 0.00 C ATOM 1579 C LYS A 101 8.726 0.417 -4.851 1.00 0.00 C ATOM 1580 O LYS A 101 9.666 1.160 -4.567 1.00 0.00 O ATOM 1581 CB LYS A 101 6.741 -0.186 -3.484 1.00 0.00 C ATOM 1582 CG LYS A 101 5.396 0.316 -2.951 1.00 0.00 C ATOM 1583 CD LYS A 101 5.631 1.459 -1.962 1.00 0.00 C ATOM 1584 CE LYS A 101 4.308 2.181 -1.695 1.00 0.00 C ATOM 1585 NZ LYS A 101 4.134 3.348 -2.605 1.00 0.00 N ATOM 0 H LYS A 101 6.724 0.028 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 101 7.250 1.808 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.620 -1.172 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.450 -0.294 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.771 0.658 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.861 -0.498 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.040 1.069 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.364 2.158 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.479 1.486 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.278 2.518 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.147 3.390 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.367 4.224 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.766 3.246 -3.425 1.00 0.00 H new ATOM 1599 N CYS A 102 8.880 -0.758 -5.462 1.00 0.00 N ATOM 1600 CA CYS A 102 10.201 -1.264 -5.845 1.00 0.00 C ATOM 1601 C CYS A 102 10.991 -0.218 -6.634 1.00 0.00 C ATOM 1602 O CYS A 102 12.183 -0.011 -6.398 1.00 0.00 O ATOM 1603 CB CYS A 102 10.044 -2.516 -6.707 1.00 0.00 C ATOM 1604 SG CYS A 102 11.650 -3.323 -6.914 1.00 0.00 S ATOM 0 H CYS A 102 8.107 -1.378 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 102 10.746 -1.498 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.339 -3.204 -6.241 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.633 -2.249 -7.680 1.00 0.00 H new ATOM 1609 N VAL A 103 10.314 0.435 -7.575 1.00 0.00 N ATOM 1610 CA VAL A 103 10.961 1.455 -8.400 1.00 0.00 C ATOM 1611 C VAL A 103 10.900 2.824 -7.716 1.00 0.00 C ATOM 1612 O VAL A 103 10.411 3.802 -8.285 1.00 0.00 O ATOM 1613 CB VAL A 103 10.289 1.533 -9.779 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.399 0.173 -10.472 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.806 1.910 -9.620 1.00 0.00 C ATOM 0 H VAL A 103 9.328 0.280 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 103 12.006 1.174 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 103 10.787 2.294 -10.380 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.923 0.224 -11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.450 -0.090 -10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.902 -0.585 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.337 1.963 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.301 1.155 -9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.728 2.879 -9.128 1.00 0.00 H new ATOM 1625 N HIS A 104 11.408 2.883 -6.488 1.00 0.00 N ATOM 1626 CA HIS A 104 11.413 4.134 -5.734 1.00 0.00 C ATOM 1627 C HIS A 104 12.516 4.114 -4.682 1.00 0.00 C ATOM 1628 O HIS A 104 13.341 5.025 -4.608 1.00 0.00 O ATOM 1629 CB HIS A 104 10.064 4.349 -5.041 1.00 0.00 C ATOM 1630 CG HIS A 104 9.145 5.110 -5.957 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.235 4.475 -6.787 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.987 6.455 -6.186 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.575 5.428 -7.470 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.994 6.653 -7.141 1.00 0.00 N ATOM 0 H HIS A 104 11.818 2.088 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 104 11.593 4.950 -6.435 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.620 3.388 -4.779 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.205 4.899 -4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.548 7.239 -5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.801 5.227 -8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.658 7.543 -7.510 1.00 0.00 H new ATOM 1642 N ASP A 105 12.521 3.063 -3.868 1.00 0.00 N ATOM 1643 CA ASP A 105 13.528 2.925 -2.819 1.00 0.00 C ATOM 1644 C ASP A 105 14.634 1.970 -3.268 1.00 0.00 C ATOM 1645 O ASP A 105 15.046 1.075 -2.529 1.00 0.00 O ATOM 1646 CB ASP A 105 12.889 2.395 -1.532 1.00 0.00 C ATOM 1647 CG ASP A 105 13.820 2.658 -0.353 1.00 0.00 C ATOM 1648 OD1 ASP A 105 15.023 2.580 -0.545 1.00 0.00 O ATOM 1649 OD2 ASP A 105 13.318 2.933 0.724 1.00 0.00 O ATOM 0 H ASP A 105 11.846 2.300 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 105 13.958 3.908 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.928 2.881 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.695 1.326 -1.624 1.00 0.00 H new ATOM 1654 N ASN A 106 15.110 2.174 -4.493 1.00 0.00 N ATOM 1655 CA ASN A 106 16.169 1.328 -5.038 1.00 0.00 C ATOM 1656 C ASN A 106 17.540 1.920 -4.714 1.00 0.00 C ATOM 1657 O ASN A 106 18.277 2.355 -5.600 1.00 0.00 O ATOM 1658 CB ASN A 106 16.016 1.193 -6.556 1.00 0.00 C ATOM 1659 CG ASN A 106 16.900 0.056 -7.057 1.00 0.00 C ATOM 1660 OD1 ASN A 106 16.512 -1.112 -7.000 1.00 0.00 O ATOM 1661 ND2 ASN A 106 18.078 0.327 -7.549 1.00 0.00 N ATOM 0 H ASN A 106 14.784 2.909 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 106 16.088 0.341 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.974 0.998 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.294 2.127 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.676 -0.428 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.401 1.293 -7.597 1.00 0.00 H new ATOM 1668 N ARG A 107 17.871 1.930 -3.427 1.00 0.00 N ATOM 1669 CA ARG A 107 19.153 2.469 -2.982 1.00 0.00 C ATOM 1670 C ARG A 107 19.878 1.456 -2.099 1.00 0.00 C ATOM 1671 O ARG A 107 21.072 1.208 -2.265 1.00 0.00 O ATOM 1672 CB ARG A 107 18.947 3.762 -2.192 1.00 0.00 C ATOM 1673 CG ARG A 107 20.300 4.433 -1.946 1.00 0.00 C ATOM 1674 CD ARG A 107 20.269 5.169 -0.607 1.00 0.00 C ATOM 1675 NE ARG A 107 21.609 5.241 -0.028 1.00 0.00 N ATOM 1676 CZ ARG A 107 22.463 6.192 -0.395 1.00 0.00 C ATOM 1677 NH1 ARG A 107 22.833 6.290 -1.642 1.00 0.00 N ATOM 1678 NH2 ARG A 107 22.931 7.026 0.493 1.00 0.00 N ATOM 0 H ARG A 107 17.276 1.575 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 107 19.755 2.678 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.290 4.436 -2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.459 3.546 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 107 21.093 3.686 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 107 20.523 5.132 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.873 6.175 -0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.597 4.656 0.081 1.00 0.00 H new ATOM 0 HE ARG A 107 21.893 4.552 0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 107 22.467 5.637 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 107 23.488 7.019 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 107 22.642 6.948 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 107 23.586 7.756 0.212 1.00 0.00 H new ATOM 1692 N SER A 108 19.139 0.876 -1.157 1.00 0.00 N ATOM 1693 CA SER A 108 19.717 -0.111 -0.250 1.00 0.00 C ATOM 1694 C SER A 108 19.718 -1.492 -0.896 1.00 0.00 C ATOM 1695 O SER A 108 20.724 -2.174 -0.788 1.00 0.00 O ATOM 1696 CB SER A 108 18.920 -0.170 1.053 1.00 0.00 C ATOM 1697 OG SER A 108 17.615 -0.667 0.782 1.00 0.00 O ATOM 1698 OXT SER A 108 18.713 -1.848 -1.488 1.00 0.00 O ATOM 0 H SER A 108 18.149 1.069 -1.003 1.00 0.00 H new ATOM 0 HA SER A 108 20.742 0.189 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 108 19.425 -0.814 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 108 18.858 0.822 1.501 1.00 0.00 H new ATOM 0 HG SER A 108 17.601 -1.081 -0.106 1.00 0.00 H new TER 1704 SER A 108