USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ 179:sc= 2.09 (180deg=0.997) USER MOD Set 1.2: A 88 THR OG1 : rot -99:sc= 2.12 USER MOD Set 2.1: A 80 GLN : amide:sc= -0.004 K(o=1.2,f=0.46) USER MOD Set 2.2: A 84 THR OG1 : rot 97:sc= 1.2 USER MOD Set 3.1: A 78 HIS : no HE2:sc= 0.501 K(o=1.9,f=-7!) USER MOD Set 3.2: B 208 THR OG1 : rot 112:sc= 1.37 USER MOD Set 4.1: A 69 ASN : amide:sc= -0.125 K(o=-0.86,f=-1.9) USER MOD Set 4.2: A 93 HIS : no HD1:sc= -0.733 K(o=-0.86,f=-2.1) USER MOD Set 5.1: A 28 SER OG : rot 160:sc=-0.000389 USER MOD Set 5.2: B 209 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -100:sc= 0.789 (180deg=-1.13) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 24 SER OG : rot 26:sc= 1.26 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-3.1!) USER MOD Single : A 43 TYR OH : rot 45:sc= 0.554 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc=-0.00254 (180deg=-0.129) USER MOD Single : A 55 SER OG : rot -34:sc= 0.108 USER MOD Single : A 60 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00324) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -160:sc= -0.457 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.5!) USER MOD Single : A 90 GLN : amide:sc= -0.0251 K(o=-0.025,f=-0.61) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.361 K(o=0.36,f=-0.86) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -16.972 -8.649 -0.862 1.00 0.00 N ATOM 2 CA MET A 8 -15.684 -9.183 -0.545 1.00 0.00 C ATOM 3 C MET A 8 -15.453 -10.474 -1.253 1.00 0.00 C ATOM 4 O MET A 8 -16.376 -11.257 -1.472 1.00 0.00 O ATOM 5 CB MET A 8 -15.494 -9.341 0.973 1.00 0.00 C ATOM 6 CG MET A 8 -16.468 -10.313 1.641 1.00 0.00 C ATOM 7 SD MET A 8 -16.240 -10.448 3.440 1.00 0.00 S ATOM 8 CE MET A 8 -17.475 -11.764 3.636 1.00 0.00 C ATOM 0 HA MET A 8 -14.938 -8.469 -0.893 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.476 -9.679 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.599 -8.363 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 8 -17.489 -9.991 1.435 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.349 -11.299 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.541 -12.048 4.686 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.446 -11.405 3.296 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.181 -12.630 3.044 1.00 0.00 H new ATOM 18 N LYS A 9 -14.198 -10.733 -1.663 1.00 0.00 N ATOM 19 CA LYS A 9 -13.809 -11.937 -2.330 1.00 0.00 C ATOM 20 C LYS A 9 -12.403 -12.246 -1.945 1.00 0.00 C ATOM 21 O LYS A 9 -11.658 -11.296 -1.710 1.00 0.00 O ATOM 22 CB LYS A 9 -13.831 -11.775 -3.860 1.00 0.00 C ATOM 23 CG LYS A 9 -15.205 -11.485 -4.468 1.00 0.00 C ATOM 24 CD LYS A 9 -15.252 -11.554 -5.996 1.00 0.00 C ATOM 25 CE LYS A 9 -14.687 -10.351 -6.753 1.00 0.00 C ATOM 26 NZ LYS A 9 -13.212 -10.391 -6.864 1.00 0.00 N ATOM 0 H LYS A 9 -13.426 -10.080 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.508 -12.723 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.153 -10.966 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.438 -12.686 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.925 -12.196 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.526 -10.492 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.707 -12.443 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.290 -11.691 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.122 -10.318 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.985 -9.434 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.793 -9.767 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.879 -11.365 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.926 -10.070 -7.811 1.00 0.00 H new ATOM 40 N PRO A 10 -11.938 -13.455 -1.838 1.00 0.00 N ATOM 41 CA PRO A 10 -10.562 -13.729 -1.539 1.00 0.00 C ATOM 42 C PRO A 10 -9.659 -13.422 -2.684 1.00 0.00 C ATOM 43 O PRO A 10 -9.988 -13.728 -3.830 1.00 0.00 O ATOM 44 CB PRO A 10 -10.539 -15.215 -1.187 1.00 0.00 C ATOM 45 CG PRO A 10 -11.712 -15.812 -1.981 1.00 0.00 C ATOM 46 CD PRO A 10 -12.736 -14.666 -1.959 1.00 0.00 C ATOM 0 HA PRO A 10 -10.194 -13.102 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.592 -15.676 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.663 -15.372 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.422 -16.079 -2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.102 -16.716 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.336 -14.655 -2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.427 -14.769 -1.122 1.00 0.00 H new ATOM 54 N GLY A 11 -8.492 -12.806 -2.430 1.00 0.00 N ATOM 55 CA GLY A 11 -7.475 -12.595 -3.413 1.00 0.00 C ATOM 56 C GLY A 11 -7.711 -11.485 -4.379 1.00 0.00 C ATOM 57 O GLY A 11 -7.107 -11.441 -5.449 1.00 0.00 O ATOM 0 H GLY A 11 -8.247 -12.442 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.534 -12.405 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.348 -13.519 -3.978 1.00 0.00 H new ATOM 61 N ASP A 12 -8.600 -10.531 -4.051 1.00 0.00 N ATOM 62 CA ASP A 12 -8.914 -9.420 -4.896 1.00 0.00 C ATOM 63 C ASP A 12 -7.907 -8.333 -4.736 1.00 0.00 C ATOM 64 O ASP A 12 -7.557 -7.961 -3.617 1.00 0.00 O ATOM 65 CB ASP A 12 -10.338 -8.958 -4.547 1.00 0.00 C ATOM 66 CG ASP A 12 -11.049 -8.277 -5.708 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.401 -7.902 -6.722 1.00 0.00 O ATOM 68 OD2 ASP A 12 -12.302 -8.171 -5.638 1.00 0.00 O ATOM 0 H ASP A 12 -9.116 -10.532 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.879 -9.708 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.924 -9.819 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.293 -8.270 -3.703 1.00 0.00 H new ATOM 73 N THR A 13 -7.361 -7.796 -5.841 1.00 0.00 N ATOM 74 CA THR A 13 -6.406 -6.732 -5.841 1.00 0.00 C ATOM 75 C THR A 13 -7.071 -5.426 -6.108 1.00 0.00 C ATOM 76 O THR A 13 -7.816 -5.277 -7.074 1.00 0.00 O ATOM 77 CB THR A 13 -5.289 -6.893 -6.831 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.721 -7.557 -8.009 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.183 -7.747 -6.190 1.00 0.00 C ATOM 0 H THR A 13 -7.597 -8.119 -6.779 1.00 0.00 H new ATOM 0 HA THR A 13 -5.966 -6.762 -4.844 1.00 0.00 H new ATOM 0 HB THR A 13 -4.932 -5.899 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.968 -7.643 -8.631 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.364 -7.873 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.814 -7.250 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.586 -8.724 -5.924 1.00 0.00 H new ATOM 87 N PHE A 14 -6.803 -4.413 -5.263 1.00 0.00 N ATOM 88 CA PHE A 14 -7.313 -3.085 -5.400 1.00 0.00 C ATOM 89 C PHE A 14 -6.177 -2.123 -5.464 1.00 0.00 C ATOM 90 O PHE A 14 -5.407 -1.964 -4.518 1.00 0.00 O ATOM 91 CB PHE A 14 -8.356 -2.603 -4.378 1.00 0.00 C ATOM 92 CG PHE A 14 -8.166 -2.956 -2.943 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.049 -4.257 -2.514 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.225 -1.963 -1.993 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.886 -4.558 -1.182 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.077 -2.250 -0.656 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.885 -3.549 -0.248 1.00 0.00 C ATOM 0 H PHE A 14 -6.202 -4.527 -4.446 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.883 -3.124 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.409 -1.517 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.327 -2.990 -4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.086 -5.058 -3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.390 -0.941 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.759 -5.584 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.112 -1.455 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.735 -3.775 0.797 1.00 0.00 H new ATOM 107 N GLU A 15 -6.041 -1.419 -6.601 1.00 0.00 N ATOM 108 CA GLU A 15 -5.154 -0.307 -6.747 1.00 0.00 C ATOM 109 C GLU A 15 -5.808 0.942 -6.265 1.00 0.00 C ATOM 110 O GLU A 15 -6.453 1.676 -7.012 1.00 0.00 O ATOM 111 CB GLU A 15 -4.628 -0.166 -8.185 1.00 0.00 C ATOM 112 CG GLU A 15 -4.356 -1.475 -8.928 1.00 0.00 C ATOM 113 CD GLU A 15 -5.534 -1.976 -9.751 1.00 0.00 C ATOM 114 OE1 GLU A 15 -6.565 -2.410 -9.171 1.00 0.00 O ATOM 115 OE2 GLU A 15 -5.437 -1.959 -11.007 1.00 0.00 O ATOM 0 H GLU A 15 -6.567 -1.631 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.278 -0.493 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.351 0.413 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.705 0.413 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.499 -1.336 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.080 -2.241 -8.204 1.00 0.00 H new ATOM 122 N VAL A 16 -5.703 1.216 -4.953 1.00 0.00 N ATOM 123 CA VAL A 16 -6.206 2.371 -4.274 1.00 0.00 C ATOM 124 C VAL A 16 -5.241 3.497 -4.415 1.00 0.00 C ATOM 125 O VAL A 16 -4.075 3.367 -4.048 1.00 0.00 O ATOM 126 CB VAL A 16 -6.474 1.982 -2.850 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.194 3.066 -1.796 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.942 1.541 -2.727 1.00 0.00 C ATOM 0 H VAL A 16 -5.227 0.577 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.142 2.725 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.770 1.179 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.422 2.676 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.144 3.354 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.818 3.937 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.151 1.255 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.595 2.365 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.122 0.690 -3.383 1.00 0.00 H new ATOM 138 N GLU A 17 -5.631 4.649 -4.990 1.00 0.00 N ATOM 139 CA GLU A 17 -4.740 5.730 -5.276 1.00 0.00 C ATOM 140 C GLU A 17 -5.188 6.993 -4.623 1.00 0.00 C ATOM 141 O GLU A 17 -6.277 7.514 -4.859 1.00 0.00 O ATOM 142 CB GLU A 17 -4.448 5.857 -6.780 1.00 0.00 C ATOM 143 CG GLU A 17 -5.389 6.688 -7.655 1.00 0.00 C ATOM 144 CD GLU A 17 -5.270 6.344 -9.132 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.815 5.281 -9.534 1.00 0.00 O ATOM 146 OE2 GLU A 17 -4.666 7.122 -9.917 1.00 0.00 O ATOM 0 H GLU A 17 -6.596 4.834 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.773 5.501 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.447 6.275 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.418 4.849 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.417 6.528 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.171 7.747 -7.513 1.00 0.00 H new ATOM 153 N LEU A 18 -4.370 7.524 -3.697 1.00 0.00 N ATOM 154 CA LEU A 18 -4.798 8.576 -2.829 1.00 0.00 C ATOM 155 C LEU A 18 -3.666 9.439 -2.386 1.00 0.00 C ATOM 156 O LEU A 18 -2.496 9.102 -2.563 1.00 0.00 O ATOM 157 CB LEU A 18 -5.545 8.052 -1.591 1.00 0.00 C ATOM 158 CG LEU A 18 -4.746 7.272 -0.533 1.00 0.00 C ATOM 159 CD1 LEU A 18 -5.619 7.129 0.725 1.00 0.00 C ATOM 160 CD2 LEU A 18 -4.300 5.889 -1.039 1.00 0.00 C ATOM 0 H LEU A 18 -3.407 7.223 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.487 9.175 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.007 8.906 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.353 7.409 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.835 7.826 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.070 6.578 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.875 8.118 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.532 6.589 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.740 5.378 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.177 5.298 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.667 6.010 -1.918 1.00 0.00 H new ATOM 172 N ALA A 19 -3.988 10.595 -1.780 1.00 0.00 N ATOM 173 CA ALA A 19 -3.036 11.522 -1.251 1.00 0.00 C ATOM 174 C ALA A 19 -2.992 11.423 0.235 1.00 0.00 C ATOM 175 O ALA A 19 -4.007 11.275 0.914 1.00 0.00 O ATOM 176 CB ALA A 19 -3.378 12.945 -1.721 1.00 0.00 C ATOM 0 H ALA A 19 -4.954 10.897 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.041 11.277 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.650 13.647 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.352 12.985 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.375 13.214 -1.372 1.00 0.00 H new ATOM 182 N LYS A 20 -1.779 11.478 0.815 1.00 0.00 N ATOM 183 CA LYS A 20 -1.560 11.220 2.205 1.00 0.00 C ATOM 184 C LYS A 20 -1.993 12.352 3.071 1.00 0.00 C ATOM 185 O LYS A 20 -2.129 13.496 2.640 1.00 0.00 O ATOM 186 CB LYS A 20 -0.082 10.938 2.527 1.00 0.00 C ATOM 187 CG LYS A 20 0.622 9.995 1.549 1.00 0.00 C ATOM 188 CD LYS A 20 1.840 10.604 0.853 1.00 0.00 C ATOM 189 CE LYS A 20 3.134 10.479 1.661 1.00 0.00 C ATOM 190 NZ LYS A 20 4.291 10.923 0.855 1.00 0.00 N ATOM 0 H LYS A 20 -0.927 11.708 0.303 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.163 10.337 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.457 11.885 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.018 10.513 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.935 9.100 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.094 9.677 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.976 10.118 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.646 11.658 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.063 11.079 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.276 9.445 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.159 10.848 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.377 10.322 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.152 11.912 0.564 1.00 0.00 H new ATOM 204 N THR A 21 -2.206 12.088 4.372 1.00 0.00 N ATOM 205 CA THR A 21 -2.605 13.075 5.327 1.00 0.00 C ATOM 206 C THR A 21 -1.395 13.648 5.979 1.00 0.00 C ATOM 207 O THR A 21 -1.083 13.361 7.134 1.00 0.00 O ATOM 208 CB THR A 21 -3.530 12.516 6.368 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.576 11.763 5.772 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.213 13.638 7.168 1.00 0.00 C ATOM 0 H THR A 21 -2.097 11.157 4.773 1.00 0.00 H new ATOM 0 HA THR A 21 -3.151 13.854 4.794 1.00 0.00 H new ATOM 0 HB THR A 21 -2.914 11.892 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.164 11.408 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.877 13.201 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.455 14.243 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.792 14.267 6.491 1.00 0.00 H new ATOM 218 N ASP A 22 -0.641 14.459 5.215 1.00 0.00 N ATOM 219 CA ASP A 22 0.607 15.062 5.566 1.00 0.00 C ATOM 220 C ASP A 22 1.651 14.113 6.046 1.00 0.00 C ATOM 221 O ASP A 22 2.123 14.154 7.182 1.00 0.00 O ATOM 222 CB ASP A 22 0.428 16.293 6.470 1.00 0.00 C ATOM 223 CG ASP A 22 -0.171 17.435 5.660 1.00 0.00 C ATOM 224 OD1 ASP A 22 0.488 17.877 4.682 1.00 0.00 O ATOM 225 OD2 ASP A 22 -1.289 17.916 5.987 1.00 0.00 O ATOM 0 H ASP A 22 -0.932 14.713 4.271 1.00 0.00 H new ATOM 0 HA ASP A 22 1.016 15.428 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.222 16.049 7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.389 16.594 6.887 1.00 0.00 H new ATOM 230 N GLY A 23 2.062 13.203 5.146 1.00 0.00 N ATOM 231 CA GLY A 23 3.090 12.240 5.399 1.00 0.00 C ATOM 232 C GLY A 23 2.640 11.033 6.147 1.00 0.00 C ATOM 233 O GLY A 23 3.378 10.539 6.998 1.00 0.00 O ATOM 0 H GLY A 23 1.665 13.134 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.515 11.923 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.890 12.722 5.961 1.00 0.00 H new ATOM 237 N SER A 24 1.430 10.520 5.864 1.00 0.00 N ATOM 238 CA SER A 24 0.802 9.449 6.574 1.00 0.00 C ATOM 239 C SER A 24 -0.495 9.152 5.903 1.00 0.00 C ATOM 240 O SER A 24 -1.458 9.915 5.961 1.00 0.00 O ATOM 241 CB SER A 24 0.522 9.721 8.062 1.00 0.00 C ATOM 242 OG SER A 24 1.704 9.573 8.835 1.00 0.00 O ATOM 0 H SER A 24 0.858 10.872 5.097 1.00 0.00 H new ATOM 0 HA SER A 24 1.505 8.616 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.127 10.730 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.243 9.034 8.424 1.00 0.00 H new ATOM 0 HG SER A 24 2.488 9.732 8.268 1.00 0.00 H new ATOM 248 N LEU A 25 -0.567 8.000 5.211 1.00 0.00 N ATOM 249 CA LEU A 25 -1.724 7.374 4.651 1.00 0.00 C ATOM 250 C LEU A 25 -2.611 6.948 5.771 1.00 0.00 C ATOM 251 O LEU A 25 -3.810 7.216 5.821 1.00 0.00 O ATOM 252 CB LEU A 25 -1.273 6.092 3.933 1.00 0.00 C ATOM 253 CG LEU A 25 -0.164 6.263 2.880 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.617 4.948 2.721 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.755 6.770 1.554 1.00 0.00 C ATOM 0 H LEU A 25 0.274 7.453 5.027 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.234 8.058 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.927 5.381 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.141 5.646 3.448 1.00 0.00 H new ATOM 0 HG LEU A 25 0.546 7.020 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.400 5.078 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.068 4.675 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.062 4.158 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.043 6.885 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.487 6.052 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.240 7.732 1.716 1.00 0.00 H new ATOM 267 N GLY A 26 -1.994 6.282 6.764 1.00 0.00 N ATOM 268 CA GLY A 26 -2.597 5.917 8.007 1.00 0.00 C ATOM 269 C GLY A 26 -2.537 4.451 8.265 1.00 0.00 C ATOM 270 O GLY A 26 -3.451 3.887 8.866 1.00 0.00 O ATOM 0 H GLY A 26 -1.021 5.983 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.096 6.446 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.638 6.240 8.010 1.00 0.00 H new ATOM 274 N ILE A 27 -1.445 3.802 7.820 1.00 0.00 N ATOM 275 CA ILE A 27 -1.240 2.410 8.070 1.00 0.00 C ATOM 276 C ILE A 27 0.039 2.194 8.803 1.00 0.00 C ATOM 277 O ILE A 27 1.091 2.706 8.423 1.00 0.00 O ATOM 278 CB ILE A 27 -1.334 1.600 6.812 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.314 2.012 5.736 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.777 1.738 6.296 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.412 1.155 4.475 1.00 0.00 C ATOM 0 H ILE A 27 -0.700 4.246 7.283 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.044 2.054 8.714 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.089 0.562 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.471 3.058 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.693 1.934 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.892 1.162 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.470 1.362 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.993 2.787 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.330 1.489 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.227 0.111 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.409 1.252 4.045 1.00 0.00 H new ATOM 293 N SER A 28 -0.008 1.430 9.910 1.00 0.00 N ATOM 294 CA SER A 28 1.160 0.848 10.493 1.00 0.00 C ATOM 295 C SER A 28 1.599 -0.370 9.755 1.00 0.00 C ATOM 296 O SER A 28 0.857 -1.344 9.638 1.00 0.00 O ATOM 297 CB SER A 28 1.112 0.352 11.948 1.00 0.00 C ATOM 298 OG SER A 28 1.260 1.433 12.858 1.00 0.00 O ATOM 0 H SER A 28 -0.872 1.213 10.408 1.00 0.00 H new ATOM 0 HA SER A 28 1.817 1.717 10.442 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.165 -0.156 12.132 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.904 -0.379 12.113 1.00 0.00 H new ATOM 0 HG SER A 28 0.916 1.170 13.737 1.00 0.00 H new ATOM 304 N VAL A 29 2.855 -0.368 9.276 1.00 0.00 N ATOM 305 CA VAL A 29 3.368 -1.431 8.468 1.00 0.00 C ATOM 306 C VAL A 29 4.023 -2.537 9.224 1.00 0.00 C ATOM 307 O VAL A 29 4.825 -2.338 10.135 1.00 0.00 O ATOM 308 CB VAL A 29 4.241 -0.898 7.371 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.447 0.204 6.650 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.586 -0.390 7.919 1.00 0.00 C ATOM 0 H VAL A 29 3.524 0.381 9.451 1.00 0.00 H new ATOM 0 HA VAL A 29 2.494 -1.902 8.019 1.00 0.00 H new ATOM 0 HB VAL A 29 4.497 -1.688 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.051 0.618 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.530 -0.218 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.197 0.994 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.194 -0.011 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.407 0.410 8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.111 -1.209 8.411 1.00 0.00 H new ATOM 320 N THR A 30 3.686 -3.786 8.858 1.00 0.00 N ATOM 321 CA THR A 30 4.290 -4.982 9.360 1.00 0.00 C ATOM 322 C THR A 30 4.666 -5.856 8.213 1.00 0.00 C ATOM 323 O THR A 30 4.287 -5.628 7.065 1.00 0.00 O ATOM 324 CB THR A 30 3.453 -5.721 10.361 1.00 0.00 C ATOM 325 OG1 THR A 30 4.139 -6.763 11.040 1.00 0.00 O ATOM 326 CG2 THR A 30 2.188 -6.314 9.719 1.00 0.00 C ATOM 0 H THR A 30 2.952 -3.972 8.174 1.00 0.00 H new ATOM 0 HA THR A 30 5.180 -4.684 9.914 1.00 0.00 H new ATOM 0 HB THR A 30 3.188 -4.962 11.097 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.531 -7.196 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.608 -6.841 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.585 -5.511 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.473 -7.010 8.930 1.00 0.00 H new ATOM 334 N GLY A 31 5.464 -6.903 8.489 1.00 0.00 N ATOM 335 CA GLY A 31 5.984 -7.800 7.504 1.00 0.00 C ATOM 336 C GLY A 31 7.258 -7.329 6.893 1.00 0.00 C ATOM 337 O GLY A 31 8.088 -6.689 7.538 1.00 0.00 O ATOM 0 H GLY A 31 5.759 -7.134 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.147 -8.776 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.241 -7.936 6.718 1.00 0.00 H new ATOM 341 N GLY A 32 7.469 -7.647 5.603 1.00 0.00 N ATOM 342 CA GLY A 32 8.692 -7.390 4.908 1.00 0.00 C ATOM 343 C GLY A 32 9.651 -8.525 5.026 1.00 0.00 C ATOM 344 O GLY A 32 9.455 -9.445 5.818 1.00 0.00 O ATOM 0 H GLY A 32 6.762 -8.099 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.479 -7.204 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.151 -6.485 5.305 1.00 0.00 H new ATOM 348 N VAL A 33 10.749 -8.506 4.249 1.00 0.00 N ATOM 349 CA VAL A 33 11.670 -9.593 4.128 1.00 0.00 C ATOM 350 C VAL A 33 12.322 -10.045 5.391 1.00 0.00 C ATOM 351 O VAL A 33 12.767 -11.188 5.468 1.00 0.00 O ATOM 352 CB VAL A 33 12.755 -9.365 3.118 1.00 0.00 C ATOM 353 CG1 VAL A 33 12.165 -9.319 1.698 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.599 -8.110 3.400 1.00 0.00 C ATOM 0 H VAL A 33 11.006 -7.699 3.681 1.00 0.00 H new ATOM 0 HA VAL A 33 10.999 -10.384 3.793 1.00 0.00 H new ATOM 0 HB VAL A 33 13.437 -10.212 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.965 -9.153 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.670 -10.265 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 33 11.441 -8.507 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.365 -8.006 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.956 -7.230 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.075 -8.204 4.376 1.00 0.00 H new ATOM 364 N ASN A 34 12.382 -9.199 6.434 1.00 0.00 N ATOM 365 CA ASN A 34 13.041 -9.518 7.662 1.00 0.00 C ATOM 366 C ASN A 34 12.332 -10.528 8.498 1.00 0.00 C ATOM 367 O ASN A 34 12.921 -11.190 9.351 1.00 0.00 O ATOM 368 CB ASN A 34 13.300 -8.220 8.443 1.00 0.00 C ATOM 369 CG ASN A 34 14.234 -8.392 9.632 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.430 -8.629 9.470 1.00 0.00 O ATOM 371 ND2 ASN A 34 13.688 -8.252 10.870 1.00 0.00 N ATOM 0 H ASN A 34 11.962 -8.270 6.424 1.00 0.00 H new ATOM 0 HA ASN A 34 13.985 -9.998 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.723 -7.478 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.348 -7.824 8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.275 -8.343 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.692 -8.056 10.969 1.00 0.00 H new ATOM 378 N THR A 35 11.018 -10.713 8.277 1.00 0.00 N ATOM 379 CA THR A 35 10.211 -11.705 8.919 1.00 0.00 C ATOM 380 C THR A 35 9.796 -12.740 7.932 1.00 0.00 C ATOM 381 O THR A 35 9.896 -12.553 6.720 1.00 0.00 O ATOM 382 CB THR A 35 8.975 -11.138 9.552 1.00 0.00 C ATOM 383 OG1 THR A 35 8.431 -10.080 8.775 1.00 0.00 O ATOM 384 CG2 THR A 35 9.355 -10.554 10.923 1.00 0.00 C ATOM 0 H THR A 35 10.491 -10.141 7.617 1.00 0.00 H new ATOM 0 HA THR A 35 10.828 -12.136 9.708 1.00 0.00 H new ATOM 0 HB THR A 35 8.238 -11.937 9.635 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.626 -9.733 9.213 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.468 -10.136 11.399 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.768 -11.342 11.553 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.099 -9.769 10.790 1.00 0.00 H new ATOM 392 N SER A 36 9.273 -13.881 8.416 1.00 0.00 N ATOM 393 CA SER A 36 8.681 -14.891 7.596 1.00 0.00 C ATOM 394 C SER A 36 7.259 -14.527 7.341 1.00 0.00 C ATOM 395 O SER A 36 6.390 -14.704 8.194 1.00 0.00 O ATOM 396 CB SER A 36 8.691 -16.298 8.216 1.00 0.00 C ATOM 397 OG SER A 36 10.022 -16.773 8.356 1.00 0.00 O ATOM 0 H SER A 36 9.262 -14.108 9.410 1.00 0.00 H new ATOM 0 HA SER A 36 9.283 -14.931 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.203 -16.275 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.119 -16.982 7.589 1.00 0.00 H new ATOM 0 HG SER A 36 10.010 -17.669 8.754 1.00 0.00 H new ATOM 403 N VAL A 37 6.985 -13.941 6.162 1.00 0.00 N ATOM 404 CA VAL A 37 5.736 -13.304 5.877 1.00 0.00 C ATOM 405 C VAL A 37 5.442 -13.516 4.432 1.00 0.00 C ATOM 406 O VAL A 37 5.212 -12.606 3.636 1.00 0.00 O ATOM 407 CB VAL A 37 5.780 -11.882 6.352 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.808 -11.024 5.596 1.00 0.00 C ATOM 409 CG2 VAL A 37 4.368 -11.272 6.363 1.00 0.00 C ATOM 0 H VAL A 37 7.648 -13.909 5.387 1.00 0.00 H new ATOM 0 HA VAL A 37 4.894 -13.735 6.419 1.00 0.00 H new ATOM 0 HB VAL A 37 6.138 -11.890 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.790 -10.007 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.804 -11.447 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.560 -11.009 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.420 -10.240 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.954 -11.295 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.728 -11.848 7.031 1.00 0.00 H new ATOM 419 N ARG A 38 5.460 -14.799 4.031 1.00 0.00 N ATOM 420 CA ARG A 38 5.434 -15.283 2.686 1.00 0.00 C ATOM 421 C ARG A 38 6.707 -15.021 1.957 1.00 0.00 C ATOM 422 O ARG A 38 7.481 -15.931 1.667 1.00 0.00 O ATOM 423 CB ARG A 38 4.251 -14.836 1.811 1.00 0.00 C ATOM 424 CG ARG A 38 2.857 -15.309 2.230 1.00 0.00 C ATOM 425 CD ARG A 38 2.266 -14.640 3.472 1.00 0.00 C ATOM 426 NE ARG A 38 0.794 -14.876 3.462 1.00 0.00 N ATOM 427 CZ ARG A 38 -0.060 -14.234 2.612 1.00 0.00 C ATOM 428 NH1 ARG A 38 0.269 -13.087 1.950 1.00 0.00 N ATOM 429 NH2 ARG A 38 -1.285 -14.799 2.409 1.00 0.00 N ATOM 0 H ARG A 38 5.496 -15.562 4.707 1.00 0.00 H new ATOM 0 HA ARG A 38 5.297 -16.353 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.244 -13.746 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.434 -15.181 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.175 -15.148 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.898 -16.384 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.713 -15.053 4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.481 -13.571 3.469 1.00 0.00 H new ATOM 0 HE ARG A 38 0.406 -15.550 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.191 -12.670 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.407 -12.647 1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.531 -15.667 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.955 -14.353 1.782 1.00 0.00 H new ATOM 443 N HIS A 39 6.948 -13.746 1.603 1.00 0.00 N ATOM 444 CA HIS A 39 8.023 -13.328 0.758 1.00 0.00 C ATOM 445 C HIS A 39 8.634 -12.083 1.303 1.00 0.00 C ATOM 446 O HIS A 39 9.615 -12.133 2.044 1.00 0.00 O ATOM 447 CB HIS A 39 7.499 -13.176 -0.680 1.00 0.00 C ATOM 448 CG HIS A 39 8.358 -12.428 -1.656 1.00 0.00 C ATOM 449 ND1 HIS A 39 9.698 -12.731 -1.781 1.00 0.00 N ATOM 450 CD2 HIS A 39 8.001 -11.450 -2.531 1.00 0.00 C ATOM 451 CE1 HIS A 39 10.136 -11.929 -2.734 1.00 0.00 C ATOM 452 NE2 HIS A 39 9.150 -11.133 -3.227 1.00 0.00 N ATOM 0 H HIS A 39 6.366 -12.971 1.921 1.00 0.00 H new ATOM 0 HA HIS A 39 8.817 -14.075 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.325 -14.174 -1.082 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.531 -12.678 -0.634 1.00 0.00 H new ATOM 0 HD1 HIS A 39 10.232 -13.422 -1.254 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.022 -11.012 -2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.158 -11.908 -3.081 1.00 0.00 H new ATOM 460 N GLY A 40 8.078 -10.905 0.973 1.00 0.00 N ATOM 461 CA GLY A 40 8.743 -9.671 1.259 1.00 0.00 C ATOM 462 C GLY A 40 7.993 -8.420 0.959 1.00 0.00 C ATOM 463 O GLY A 40 8.590 -7.344 0.934 1.00 0.00 O ATOM 0 H GLY A 40 7.174 -10.805 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.006 -9.664 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.677 -9.650 0.698 1.00 0.00 H new ATOM 467 N GLY A 41 6.663 -8.485 0.771 1.00 0.00 N ATOM 468 CA GLY A 41 5.825 -7.333 0.648 1.00 0.00 C ATOM 469 C GLY A 41 5.529 -6.763 1.993 1.00 0.00 C ATOM 470 O GLY A 41 5.949 -7.312 3.010 1.00 0.00 O ATOM 0 H GLY A 41 6.155 -9.367 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.315 -6.583 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.895 -7.603 0.147 1.00 0.00 H new ATOM 474 N ILE A 42 4.815 -5.626 2.069 1.00 0.00 N ATOM 475 CA ILE A 42 4.525 -5.021 3.332 1.00 0.00 C ATOM 476 C ILE A 42 3.056 -5.132 3.554 1.00 0.00 C ATOM 477 O ILE A 42 2.269 -5.296 2.624 1.00 0.00 O ATOM 478 CB ILE A 42 5.161 -3.680 3.548 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.561 -3.456 5.017 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.319 -2.470 3.107 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.823 -4.208 5.437 1.00 0.00 C ATOM 0 H ILE A 42 4.440 -5.128 1.262 1.00 0.00 H new ATOM 0 HA ILE A 42 5.017 -5.564 4.139 1.00 0.00 H new ATOM 0 HB ILE A 42 6.038 -3.727 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.713 -2.390 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.736 -3.764 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.870 -1.551 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.109 -2.542 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.381 -2.458 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.039 -3.999 6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.669 -5.279 5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.662 -3.883 4.822 1.00 0.00 H new ATOM 493 N TYR A 43 2.609 -5.181 4.822 1.00 0.00 N ATOM 494 CA TYR A 43 1.272 -5.554 5.159 1.00 0.00 C ATOM 495 C TYR A 43 0.837 -4.571 6.192 1.00 0.00 C ATOM 496 O TYR A 43 1.667 -3.982 6.881 1.00 0.00 O ATOM 497 CB TYR A 43 1.259 -6.929 5.847 1.00 0.00 C ATOM 498 CG TYR A 43 1.661 -8.070 4.976 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.968 -8.269 4.597 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.716 -8.999 4.608 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.315 -9.331 3.796 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.060 -10.094 3.853 1.00 0.00 C ATOM 503 CZ TYR A 43 2.358 -10.248 3.427 1.00 0.00 C ATOM 504 OH TYR A 43 2.707 -11.345 2.611 1.00 0.00 O ATOM 0 H TYR A 43 3.190 -4.956 5.630 1.00 0.00 H new ATOM 0 HA TYR A 43 0.645 -5.580 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.927 -6.895 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.256 -7.118 6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.731 -7.583 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.310 -8.866 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.334 -9.445 3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.314 -10.831 3.595 1.00 0.00 H new ATOM 0 HH TYR A 43 3.538 -11.746 2.940 1.00 0.00 H new ATOM 514 N VAL A 44 -0.471 -4.310 6.364 1.00 0.00 N ATOM 515 CA VAL A 44 -0.931 -3.490 7.442 1.00 0.00 C ATOM 516 C VAL A 44 -1.053 -4.271 8.705 1.00 0.00 C ATOM 517 O VAL A 44 -1.558 -5.392 8.707 1.00 0.00 O ATOM 518 CB VAL A 44 -2.268 -2.877 7.152 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.500 -1.727 8.148 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.342 -2.363 5.704 1.00 0.00 C ATOM 0 H VAL A 44 -1.210 -4.666 5.757 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.186 -2.703 7.556 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.046 -3.632 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.469 -1.267 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.481 -2.118 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.714 -0.981 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.323 -1.924 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.572 -1.608 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.183 -3.193 5.015 1.00 0.00 H new ATOM 530 N LYS A 45 -0.604 -3.705 9.839 1.00 0.00 N ATOM 531 CA LYS A 45 -0.894 -4.199 11.149 1.00 0.00 C ATOM 532 C LYS A 45 -2.105 -3.530 11.703 1.00 0.00 C ATOM 533 O LYS A 45 -3.040 -4.185 12.160 1.00 0.00 O ATOM 534 CB LYS A 45 0.275 -3.970 12.121 1.00 0.00 C ATOM 535 CG LYS A 45 0.155 -4.709 13.455 1.00 0.00 C ATOM 536 CD LYS A 45 0.377 -6.216 13.314 1.00 0.00 C ATOM 537 CE LYS A 45 0.317 -7.002 14.626 1.00 0.00 C ATOM 538 NZ LYS A 45 0.735 -8.400 14.383 1.00 0.00 N ATOM 0 H LYS A 45 -0.016 -2.871 9.844 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.065 -5.271 11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.200 -4.278 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.360 -2.902 12.320 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.882 -4.303 14.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.833 -4.529 13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.373 -6.617 12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.350 -6.383 12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.968 -6.541 15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.695 -6.979 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.694 -8.934 15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.097 -8.837 13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.708 -8.413 14.016 1.00 0.00 H new ATOM 552 N ALA A 46 -2.130 -2.186 11.683 1.00 0.00 N ATOM 553 CA ALA A 46 -3.182 -1.410 12.262 1.00 0.00 C ATOM 554 C ALA A 46 -3.554 -0.257 11.394 1.00 0.00 C ATOM 555 O ALA A 46 -2.708 0.368 10.757 1.00 0.00 O ATOM 556 CB ALA A 46 -2.777 -0.901 13.656 1.00 0.00 C ATOM 0 H ALA A 46 -1.397 -1.622 11.252 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.051 -2.061 12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.591 -0.313 14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.566 -1.750 14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.886 -0.279 13.571 1.00 0.00 H new ATOM 562 N ILE A 47 -4.866 0.031 11.339 1.00 0.00 N ATOM 563 CA ILE A 47 -5.460 1.144 10.666 1.00 0.00 C ATOM 564 C ILE A 47 -5.852 2.182 11.662 1.00 0.00 C ATOM 565 O ILE A 47 -6.559 1.899 12.628 1.00 0.00 O ATOM 566 CB ILE A 47 -6.708 0.756 9.931 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.460 -0.390 8.935 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.327 1.955 9.192 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.485 -0.018 7.820 1.00 0.00 C ATOM 0 H ILE A 47 -5.561 -0.557 11.798 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.719 1.516 9.959 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.410 0.408 10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.072 -1.254 9.475 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.410 -0.690 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.229 1.635 8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.580 2.734 9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.611 2.346 8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.354 -0.870 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.881 0.827 7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.523 0.254 8.254 1.00 0.00 H new ATOM 581 N ILE A 48 -5.431 3.440 11.436 1.00 0.00 N ATOM 582 CA ILE A 48 -5.794 4.521 12.299 1.00 0.00 C ATOM 583 C ILE A 48 -7.130 5.091 11.970 1.00 0.00 C ATOM 584 O ILE A 48 -7.437 5.256 10.791 1.00 0.00 O ATOM 585 CB ILE A 48 -4.784 5.630 12.332 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.604 6.336 10.979 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.493 5.032 12.916 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.345 7.199 10.909 1.00 0.00 C ATOM 0 H ILE A 48 -4.837 3.709 10.652 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.831 4.069 13.290 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.129 6.444 12.969 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.567 5.587 10.188 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.476 6.961 10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.723 5.802 12.961 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.688 4.655 13.920 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.151 4.214 12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.280 7.668 9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.390 7.971 11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.466 6.575 11.072 1.00 0.00 H new ATOM 600 N PRO A 49 -7.957 5.442 12.909 1.00 0.00 N ATOM 601 CA PRO A 49 -9.249 6.001 12.630 1.00 0.00 C ATOM 602 C PRO A 49 -9.182 7.462 12.348 1.00 0.00 C ATOM 603 O PRO A 49 -9.720 8.277 13.096 1.00 0.00 O ATOM 604 CB PRO A 49 -10.023 5.698 13.910 1.00 0.00 C ATOM 605 CG PRO A 49 -8.967 5.814 15.020 1.00 0.00 C ATOM 606 CD PRO A 49 -7.726 5.225 14.330 1.00 0.00 C ATOM 0 HA PRO A 49 -9.713 5.585 11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.839 6.405 14.060 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.465 4.702 13.883 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.811 6.847 15.331 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.246 5.252 15.911 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.814 5.721 14.664 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.613 4.165 14.556 1.00 0.00 H new ATOM 614 N LYS A 50 -8.586 7.844 11.204 1.00 0.00 N ATOM 615 CA LYS A 50 -8.528 9.197 10.741 1.00 0.00 C ATOM 616 C LYS A 50 -9.257 9.301 9.446 1.00 0.00 C ATOM 617 O LYS A 50 -10.453 9.589 9.426 1.00 0.00 O ATOM 618 CB LYS A 50 -7.093 9.747 10.668 1.00 0.00 C ATOM 619 CG LYS A 50 -6.501 9.975 12.061 1.00 0.00 C ATOM 620 CD LYS A 50 -5.160 10.712 12.016 1.00 0.00 C ATOM 621 CE LYS A 50 -4.583 11.090 13.381 1.00 0.00 C ATOM 622 NZ LYS A 50 -5.481 12.026 14.094 1.00 0.00 N ATOM 0 H LYS A 50 -8.126 7.184 10.576 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.024 9.835 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.464 9.049 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.091 10.686 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.207 10.548 12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.367 9.014 12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.436 10.087 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.282 11.620 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.438 10.191 13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.603 11.548 13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.996 12.399 14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.734 12.813 13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.344 11.525 14.386 1.00 0.00 H new ATOM 636 N GLY A 51 -8.608 9.051 8.295 1.00 0.00 N ATOM 637 CA GLY A 51 -9.318 9.118 7.056 1.00 0.00 C ATOM 638 C GLY A 51 -8.557 9.424 5.812 1.00 0.00 C ATOM 639 O GLY A 51 -9.036 10.191 4.979 1.00 0.00 O ATOM 0 H GLY A 51 -7.620 8.809 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.819 8.161 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.097 9.873 7.162 1.00 0.00 H new ATOM 643 N ALA A 52 -7.389 8.803 5.568 1.00 0.00 N ATOM 644 CA ALA A 52 -6.876 8.678 4.239 1.00 0.00 C ATOM 645 C ALA A 52 -6.969 7.253 3.812 1.00 0.00 C ATOM 646 O ALA A 52 -7.876 6.893 3.063 1.00 0.00 O ATOM 647 CB ALA A 52 -5.472 9.273 4.043 1.00 0.00 C ATOM 0 H ALA A 52 -6.800 8.388 6.290 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.500 9.288 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.160 9.135 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.492 10.337 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.768 8.769 4.705 1.00 0.00 H new ATOM 653 N ALA A 53 -6.068 6.370 4.280 1.00 0.00 N ATOM 654 CA ALA A 53 -6.046 4.992 3.899 1.00 0.00 C ATOM 655 C ALA A 53 -7.260 4.229 4.306 1.00 0.00 C ATOM 656 O ALA A 53 -7.875 3.540 3.493 1.00 0.00 O ATOM 657 CB ALA A 53 -4.786 4.309 4.457 1.00 0.00 C ATOM 0 H ALA A 53 -5.334 6.622 4.942 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.033 4.983 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.779 3.260 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.899 4.803 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.786 4.379 5.545 1.00 0.00 H new ATOM 663 N GLU A 54 -7.707 4.399 5.563 1.00 0.00 N ATOM 664 CA GLU A 54 -8.936 3.877 6.074 1.00 0.00 C ATOM 665 C GLU A 54 -10.115 4.253 5.244 1.00 0.00 C ATOM 666 O GLU A 54 -11.038 3.479 4.997 1.00 0.00 O ATOM 667 CB GLU A 54 -9.194 4.400 7.497 1.00 0.00 C ATOM 668 CG GLU A 54 -10.380 3.699 8.163 1.00 0.00 C ATOM 669 CD GLU A 54 -10.738 4.262 9.532 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.348 5.364 9.556 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.534 3.568 10.564 1.00 0.00 O ATOM 0 H GLU A 54 -7.183 4.929 6.259 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.823 2.793 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.300 4.254 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.382 5.473 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.249 3.777 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.152 2.638 8.265 1.00 0.00 H new ATOM 678 N SER A 55 -10.110 5.512 4.773 1.00 0.00 N ATOM 679 CA SER A 55 -11.209 6.086 4.060 1.00 0.00 C ATOM 680 C SER A 55 -11.310 5.707 2.623 1.00 0.00 C ATOM 681 O SER A 55 -12.378 5.904 2.045 1.00 0.00 O ATOM 682 CB SER A 55 -11.206 7.618 4.190 1.00 0.00 C ATOM 683 OG SER A 55 -12.446 8.238 3.879 1.00 0.00 O ATOM 0 H SER A 55 -9.321 6.148 4.891 1.00 0.00 H new ATOM 0 HA SER A 55 -12.090 5.659 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.927 7.883 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.436 8.024 3.534 1.00 0.00 H new ATOM 0 HG SER A 55 -12.890 7.739 3.162 1.00 0.00 H new ATOM 689 N ASP A 56 -10.290 5.153 1.943 1.00 0.00 N ATOM 690 CA ASP A 56 -10.309 5.112 0.514 1.00 0.00 C ATOM 691 C ASP A 56 -11.334 4.154 0.012 1.00 0.00 C ATOM 692 O ASP A 56 -12.257 4.524 -0.712 1.00 0.00 O ATOM 693 CB ASP A 56 -8.935 4.876 -0.135 1.00 0.00 C ATOM 694 CG ASP A 56 -8.893 5.668 -1.435 1.00 0.00 C ATOM 695 OD1 ASP A 56 -8.917 6.925 -1.348 1.00 0.00 O ATOM 696 OD2 ASP A 56 -8.935 5.064 -2.540 1.00 0.00 O ATOM 0 H ASP A 56 -9.464 4.739 2.375 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.595 6.116 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.136 5.197 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.781 3.814 -0.329 1.00 0.00 H new ATOM 701 N GLY A 57 -11.267 2.897 0.485 1.00 0.00 N ATOM 702 CA GLY A 57 -12.458 2.108 0.522 1.00 0.00 C ATOM 703 C GLY A 57 -12.319 0.860 1.326 1.00 0.00 C ATOM 704 O GLY A 57 -12.812 0.741 2.447 1.00 0.00 O ATOM 0 H GLY A 57 -10.423 2.440 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.269 2.708 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.742 1.845 -0.497 1.00 0.00 H new ATOM 708 N ARG A 58 -11.666 -0.159 0.737 1.00 0.00 N ATOM 709 CA ARG A 58 -11.708 -1.510 1.200 1.00 0.00 C ATOM 710 C ARG A 58 -10.798 -1.869 2.325 1.00 0.00 C ATOM 711 O ARG A 58 -10.901 -2.965 2.874 1.00 0.00 O ATOM 712 CB ARG A 58 -11.480 -2.401 -0.032 1.00 0.00 C ATOM 713 CG ARG A 58 -12.773 -2.598 -0.826 1.00 0.00 C ATOM 714 CD ARG A 58 -12.609 -3.229 -2.210 1.00 0.00 C ATOM 715 NE ARG A 58 -12.266 -2.136 -3.163 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.942 -1.904 -4.327 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.925 -2.724 -4.801 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.690 -0.783 -5.064 1.00 0.00 N ATOM 0 H ARG A 58 -11.087 -0.036 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.684 -1.665 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.723 -1.951 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.094 -3.370 0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.447 -3.222 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.257 -1.629 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.824 -3.986 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.528 -3.729 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.481 -1.526 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.188 -3.560 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.397 -2.501 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.992 -0.110 -4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.200 -0.618 -5.932 1.00 0.00 H new ATOM 732 N ILE A 59 -9.878 -0.986 2.752 1.00 0.00 N ATOM 733 CA ILE A 59 -8.874 -1.268 3.730 1.00 0.00 C ATOM 734 C ILE A 59 -9.390 -1.366 5.124 1.00 0.00 C ATOM 735 O ILE A 59 -10.029 -0.453 5.642 1.00 0.00 O ATOM 736 CB ILE A 59 -7.794 -0.228 3.678 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.311 -0.006 2.235 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.615 -0.675 4.557 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.122 0.946 2.118 1.00 0.00 C ATOM 0 H ILE A 59 -9.832 -0.030 2.398 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.482 -2.252 3.471 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.199 0.713 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.037 -0.968 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.137 0.386 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.828 0.079 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.954 -0.797 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.225 -1.624 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.841 1.050 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.396 1.922 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.279 0.546 2.681 1.00 0.00 H new ATOM 751 N HIS A 60 -9.087 -2.486 5.805 1.00 0.00 N ATOM 752 CA HIS A 60 -9.181 -2.640 7.223 1.00 0.00 C ATOM 753 C HIS A 60 -7.860 -3.180 7.651 1.00 0.00 C ATOM 754 O HIS A 60 -6.881 -3.016 6.925 1.00 0.00 O ATOM 755 CB HIS A 60 -10.366 -3.537 7.618 1.00 0.00 C ATOM 756 CG HIS A 60 -10.621 -3.683 9.089 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.864 -2.566 9.860 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.614 -4.800 9.866 1.00 0.00 C ATOM 759 CE1 HIS A 60 -11.007 -3.017 11.094 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.861 -4.367 11.153 1.00 0.00 N ATOM 0 H HIS A 60 -8.758 -3.331 5.339 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.386 -1.696 7.728 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.267 -3.140 7.151 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.200 -4.529 7.198 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.449 -5.817 9.542 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.214 -2.391 11.949 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.922 -4.949 11.989 1.00 0.00 H new ATOM 768 N LYS A 61 -7.686 -3.814 8.824 1.00 0.00 N ATOM 769 CA LYS A 61 -6.395 -4.258 9.250 1.00 0.00 C ATOM 770 C LYS A 61 -6.074 -5.664 8.880 1.00 0.00 C ATOM 771 O LYS A 61 -5.901 -6.553 9.713 1.00 0.00 O ATOM 772 CB LYS A 61 -6.177 -4.010 10.752 1.00 0.00 C ATOM 773 CG LYS A 61 -7.221 -4.594 11.707 1.00 0.00 C ATOM 774 CD LYS A 61 -6.721 -4.553 13.152 1.00 0.00 C ATOM 775 CE LYS A 61 -7.689 -5.137 14.183 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.888 -6.589 13.984 1.00 0.00 N ATOM 0 H LYS A 61 -8.441 -4.020 9.479 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.687 -3.645 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.203 -4.415 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.132 -2.933 10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.151 -4.032 11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.444 -5.623 11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.778 -5.097 13.211 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.509 -3.518 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.304 -4.956 15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.649 -4.625 14.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.536 -6.953 14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.294 -6.758 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.973 -7.078 14.059 1.00 0.00 H new ATOM 790 N GLY A 62 -5.918 -5.966 7.578 1.00 0.00 N ATOM 791 CA GLY A 62 -5.511 -7.291 7.227 1.00 0.00 C ATOM 792 C GLY A 62 -5.292 -7.563 5.778 1.00 0.00 C ATOM 793 O GLY A 62 -5.704 -8.617 5.296 1.00 0.00 O ATOM 0 H GLY A 62 -6.066 -5.325 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.586 -7.515 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.266 -7.987 7.593 1.00 0.00 H new ATOM 797 N ASP A 63 -4.641 -6.651 5.035 1.00 0.00 N ATOM 798 CA ASP A 63 -4.287 -6.836 3.662 1.00 0.00 C ATOM 799 C ASP A 63 -2.808 -6.844 3.483 1.00 0.00 C ATOM 800 O ASP A 63 -2.036 -6.604 4.411 1.00 0.00 O ATOM 801 CB ASP A 63 -4.902 -5.736 2.782 1.00 0.00 C ATOM 802 CG ASP A 63 -6.410 -5.716 2.988 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.094 -6.743 2.732 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.928 -4.668 3.461 1.00 0.00 O ATOM 0 H ASP A 63 -4.349 -5.747 5.406 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.684 -7.803 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.475 -4.767 3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.668 -5.919 1.733 1.00 0.00 H new ATOM 809 N ARG A 64 -2.357 -7.122 2.247 1.00 0.00 N ATOM 810 CA ARG A 64 -0.988 -7.107 1.831 1.00 0.00 C ATOM 811 C ARG A 64 -0.841 -6.024 0.818 1.00 0.00 C ATOM 812 O ARG A 64 -1.610 -5.990 -0.141 1.00 0.00 O ATOM 813 CB ARG A 64 -0.646 -8.466 1.200 1.00 0.00 C ATOM 814 CG ARG A 64 0.811 -8.740 0.823 1.00 0.00 C ATOM 815 CD ARG A 64 1.279 -8.194 -0.527 1.00 0.00 C ATOM 816 NE ARG A 64 1.948 -9.262 -1.323 1.00 0.00 N ATOM 817 CZ ARG A 64 1.247 -10.094 -2.147 1.00 0.00 C ATOM 818 NH1 ARG A 64 -0.091 -10.296 -1.972 1.00 0.00 N ATOM 819 NH2 ARG A 64 1.859 -10.726 -3.193 1.00 0.00 N ATOM 0 H ARG A 64 -2.991 -7.374 1.488 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.319 -6.930 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.963 -9.245 1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.250 -8.577 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.450 -8.321 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.968 -9.819 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.427 -7.800 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.968 -7.364 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 64 2.959 -9.374 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.584 -9.821 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.598 -10.921 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.853 -10.579 -3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.321 -11.345 -3.800 1.00 0.00 H new ATOM 833 N VAL A 65 0.140 -5.112 0.944 1.00 0.00 N ATOM 834 CA VAL A 65 0.455 -4.167 -0.082 1.00 0.00 C ATOM 835 C VAL A 65 1.646 -4.672 -0.819 1.00 0.00 C ATOM 836 O VAL A 65 2.705 -4.956 -0.259 1.00 0.00 O ATOM 837 CB VAL A 65 0.529 -2.724 0.321 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.715 -2.399 1.245 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.592 -1.827 -0.926 1.00 0.00 C ATOM 0 H VAL A 65 0.726 -5.030 1.775 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.403 -4.115 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.379 -2.525 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.702 -1.338 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.636 -2.987 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.649 -2.642 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.645 -0.782 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.476 -2.079 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.301 -1.983 -1.532 1.00 0.00 H new ATOM 849 N LEU A 66 1.485 -4.904 -2.134 1.00 0.00 N ATOM 850 CA LEU A 66 2.499 -5.438 -2.990 1.00 0.00 C ATOM 851 C LEU A 66 3.246 -4.358 -3.693 1.00 0.00 C ATOM 852 O LEU A 66 4.465 -4.456 -3.832 1.00 0.00 O ATOM 853 CB LEU A 66 1.966 -6.508 -3.958 1.00 0.00 C ATOM 854 CG LEU A 66 0.641 -6.251 -4.695 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.634 -6.994 -6.042 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.566 -6.726 -3.870 1.00 0.00 C ATOM 0 H LEU A 66 0.610 -4.711 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 66 3.210 -5.955 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.734 -6.682 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.856 -7.435 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 66 0.560 -5.175 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.308 -6.806 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.461 -6.639 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.745 -8.064 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.485 -6.528 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.479 -7.796 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.591 -6.191 -2.921 1.00 0.00 H new ATOM 868 N ALA A 67 2.576 -3.282 -4.143 1.00 0.00 N ATOM 869 CA ALA A 67 3.283 -2.260 -4.850 1.00 0.00 C ATOM 870 C ALA A 67 2.816 -0.886 -4.510 1.00 0.00 C ATOM 871 O ALA A 67 1.659 -0.690 -4.141 1.00 0.00 O ATOM 872 CB ALA A 67 3.209 -2.492 -6.369 1.00 0.00 C ATOM 0 H ALA A 67 1.576 -3.121 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 67 4.322 -2.328 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.754 -1.702 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.653 -3.457 -6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.167 -2.482 -6.688 1.00 0.00 H new ATOM 878 N VAL A 68 3.715 0.110 -4.591 1.00 0.00 N ATOM 879 CA VAL A 68 3.417 1.465 -4.244 1.00 0.00 C ATOM 880 C VAL A 68 3.884 2.457 -5.253 1.00 0.00 C ATOM 881 O VAL A 68 5.088 2.590 -5.467 1.00 0.00 O ATOM 882 CB VAL A 68 3.985 1.879 -2.919 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.500 3.299 -2.582 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.554 0.892 -1.821 1.00 0.00 C ATOM 0 H VAL A 68 4.675 -0.030 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 68 2.328 1.472 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 68 5.074 1.873 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.910 3.605 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.834 3.991 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.411 3.309 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.974 1.205 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.466 0.877 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.916 -0.106 -2.067 1.00 0.00 H new ATOM 894 N ASN A 69 2.978 3.214 -5.896 1.00 0.00 N ATOM 895 CA ASN A 69 3.283 4.166 -6.920 1.00 0.00 C ATOM 896 C ASN A 69 3.946 3.552 -8.104 1.00 0.00 C ATOM 897 O ASN A 69 4.771 4.155 -8.789 1.00 0.00 O ATOM 898 CB ASN A 69 4.053 5.369 -6.350 1.00 0.00 C ATOM 899 CG ASN A 69 4.005 6.589 -7.259 1.00 0.00 C ATOM 900 OD1 ASN A 69 3.109 6.782 -8.079 1.00 0.00 O ATOM 901 ND2 ASN A 69 5.012 7.490 -7.101 1.00 0.00 N ATOM 0 H ASN A 69 1.980 3.160 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 69 2.334 4.548 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.638 5.631 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.093 5.084 -6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.030 8.339 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.749 7.317 -6.417 1.00 0.00 H new ATOM 908 N GLY A 70 3.608 2.280 -8.380 1.00 0.00 N ATOM 909 CA GLY A 70 4.225 1.502 -9.409 1.00 0.00 C ATOM 910 C GLY A 70 5.570 0.989 -9.022 1.00 0.00 C ATOM 911 O GLY A 70 6.446 0.821 -9.869 1.00 0.00 O ATOM 0 H GLY A 70 2.882 1.777 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.579 0.660 -9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.319 2.109 -10.309 1.00 0.00 H new ATOM 915 N VAL A 71 5.783 0.724 -7.721 1.00 0.00 N ATOM 916 CA VAL A 71 7.029 0.255 -7.197 1.00 0.00 C ATOM 917 C VAL A 71 6.729 -0.948 -6.370 1.00 0.00 C ATOM 918 O VAL A 71 6.266 -0.850 -5.235 1.00 0.00 O ATOM 919 CB VAL A 71 7.800 1.242 -6.371 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.170 0.662 -5.983 1.00 0.00 C ATOM 921 CG2 VAL A 71 8.003 2.543 -7.164 1.00 0.00 C ATOM 0 H VAL A 71 5.063 0.840 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 71 7.674 0.049 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 71 7.233 1.452 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.717 1.390 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.028 -0.251 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.738 0.435 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.563 3.255 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.557 2.329 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.033 2.969 -7.419 1.00 0.00 H new ATOM 931 N SER A 72 6.950 -2.150 -6.930 1.00 0.00 N ATOM 932 CA SER A 72 6.775 -3.388 -6.236 1.00 0.00 C ATOM 933 C SER A 72 7.808 -3.613 -5.187 1.00 0.00 C ATOM 934 O SER A 72 8.995 -3.358 -5.386 1.00 0.00 O ATOM 935 CB SER A 72 6.733 -4.603 -7.178 1.00 0.00 C ATOM 936 OG SER A 72 6.052 -5.686 -6.561 1.00 0.00 O ATOM 0 H SER A 72 7.260 -2.265 -7.895 1.00 0.00 H new ATOM 0 HA SER A 72 5.803 -3.295 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.232 -4.333 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.748 -4.904 -7.438 1.00 0.00 H new ATOM 0 HG SER A 72 6.032 -6.451 -7.173 1.00 0.00 H new ATOM 942 N LEU A 73 7.387 -4.104 -4.007 1.00 0.00 N ATOM 943 CA LEU A 73 8.198 -4.276 -2.842 1.00 0.00 C ATOM 944 C LEU A 73 9.010 -5.524 -2.890 1.00 0.00 C ATOM 945 O LEU A 73 8.952 -6.382 -2.010 1.00 0.00 O ATOM 946 CB LEU A 73 7.299 -4.265 -1.594 1.00 0.00 C ATOM 947 CG LEU A 73 6.691 -2.898 -1.242 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.428 -3.056 -0.378 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.666 -1.995 -0.469 1.00 0.00 C ATOM 0 H LEU A 73 6.422 -4.398 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 73 8.905 -3.448 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.489 -4.979 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.881 -4.617 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 73 6.452 -2.434 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.021 -2.072 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.684 -3.637 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.683 -3.571 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.183 -1.043 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.952 -2.482 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.555 -1.818 -1.074 1.00 0.00 H new ATOM 961 N GLU A 74 9.846 -5.696 -3.930 1.00 0.00 N ATOM 962 CA GLU A 74 10.701 -6.830 -4.090 1.00 0.00 C ATOM 963 C GLU A 74 11.991 -6.624 -3.371 1.00 0.00 C ATOM 964 O GLU A 74 12.932 -6.009 -3.870 1.00 0.00 O ATOM 965 CB GLU A 74 10.973 -7.155 -5.568 1.00 0.00 C ATOM 966 CG GLU A 74 9.733 -7.656 -6.313 1.00 0.00 C ATOM 967 CD GLU A 74 9.207 -8.962 -5.736 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.902 -10.009 -5.824 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.068 -8.971 -5.199 1.00 0.00 O ATOM 0 H GLU A 74 9.929 -5.019 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 74 10.176 -7.681 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.352 -6.263 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.756 -7.911 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.951 -6.898 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.976 -7.797 -7.366 1.00 0.00 H new ATOM 976 N GLY A 75 12.065 -7.126 -2.125 1.00 0.00 N ATOM 977 CA GLY A 75 13.195 -6.937 -1.270 1.00 0.00 C ATOM 978 C GLY A 75 13.043 -5.719 -0.424 1.00 0.00 C ATOM 979 O GLY A 75 13.969 -4.924 -0.282 1.00 0.00 O ATOM 0 H GLY A 75 11.319 -7.678 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.320 -7.811 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.099 -6.852 -1.873 1.00 0.00 H new ATOM 983 N ALA A 76 11.857 -5.529 0.182 1.00 0.00 N ATOM 984 CA ALA A 76 11.630 -4.511 1.159 1.00 0.00 C ATOM 985 C ALA A 76 11.373 -5.149 2.481 1.00 0.00 C ATOM 986 O ALA A 76 10.867 -6.264 2.591 1.00 0.00 O ATOM 987 CB ALA A 76 10.508 -3.553 0.724 1.00 0.00 C ATOM 0 H ALA A 76 11.034 -6.099 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 76 12.521 -3.890 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.362 -2.792 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.783 -3.074 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.583 -4.114 0.589 1.00 0.00 H new ATOM 993 N THR A 77 11.791 -4.474 3.567 1.00 0.00 N ATOM 994 CA THR A 77 11.679 -4.863 4.939 1.00 0.00 C ATOM 995 C THR A 77 11.003 -3.698 5.577 1.00 0.00 C ATOM 996 O THR A 77 10.504 -2.824 4.871 1.00 0.00 O ATOM 997 CB THR A 77 13.022 -5.152 5.539 1.00 0.00 C ATOM 998 OG1 THR A 77 12.984 -5.435 6.931 1.00 0.00 O ATOM 999 CG2 THR A 77 14.044 -4.032 5.282 1.00 0.00 C ATOM 0 H THR A 77 12.252 -3.569 3.473 1.00 0.00 H new ATOM 0 HA THR A 77 11.120 -5.788 5.080 1.00 0.00 H new ATOM 0 HB THR A 77 13.345 -6.056 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.875 -5.301 7.317 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.997 -4.297 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.180 -3.903 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.680 -3.101 5.716 1.00 0.00 H new ATOM 1007 N HIS A 78 10.991 -3.575 6.917 1.00 0.00 N ATOM 1008 CA HIS A 78 10.428 -2.476 7.637 1.00 0.00 C ATOM 1009 C HIS A 78 10.916 -1.139 7.195 1.00 0.00 C ATOM 1010 O HIS A 78 10.114 -0.274 6.849 1.00 0.00 O ATOM 1011 CB HIS A 78 10.678 -2.595 9.151 1.00 0.00 C ATOM 1012 CG HIS A 78 10.288 -1.396 9.964 1.00 0.00 C ATOM 1013 ND1 HIS A 78 11.131 -0.860 10.900 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.168 -0.624 9.966 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.550 0.182 11.467 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.362 0.345 10.915 1.00 0.00 N ATOM 0 H HIS A 78 11.397 -4.282 7.530 1.00 0.00 H new ATOM 0 HA HIS A 78 9.362 -2.537 7.416 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.131 -3.460 9.525 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.738 -2.793 9.313 1.00 0.00 H new ATOM 0 HD1 HIS A 78 12.062 -1.210 11.124 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.296 -0.750 9.341 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.974 0.795 12.248 1.00 0.00 H new ATOM 1025 N LYS A 79 12.241 -0.910 7.185 1.00 0.00 N ATOM 1026 CA LYS A 79 12.829 0.347 6.839 1.00 0.00 C ATOM 1027 C LYS A 79 12.549 0.768 5.437 1.00 0.00 C ATOM 1028 O LYS A 79 12.077 1.868 5.156 1.00 0.00 O ATOM 1029 CB LYS A 79 14.346 0.211 7.048 1.00 0.00 C ATOM 1030 CG LYS A 79 15.191 1.465 6.814 1.00 0.00 C ATOM 1031 CD LYS A 79 16.673 1.139 6.618 1.00 0.00 C ATOM 1032 CE LYS A 79 17.325 0.383 7.778 1.00 0.00 C ATOM 1033 NZ LYS A 79 18.734 0.074 7.445 1.00 0.00 N ATOM 0 H LYS A 79 12.927 -1.625 7.426 1.00 0.00 H new ATOM 0 HA LYS A 79 12.392 1.119 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.519 -0.129 8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.711 -0.573 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.818 1.993 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.079 2.139 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.783 0.546 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.217 2.070 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.280 0.983 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.778 -0.539 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.173 -0.440 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.767 -0.515 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.253 0.959 7.276 1.00 0.00 H new ATOM 1047 N GLN A 80 12.804 -0.149 4.487 1.00 0.00 N ATOM 1048 CA GLN A 80 12.592 0.053 3.087 1.00 0.00 C ATOM 1049 C GLN A 80 11.163 0.281 2.731 1.00 0.00 C ATOM 1050 O GLN A 80 10.852 1.181 1.953 1.00 0.00 O ATOM 1051 CB GLN A 80 13.187 -1.142 2.324 1.00 0.00 C ATOM 1052 CG GLN A 80 13.978 -0.736 1.079 1.00 0.00 C ATOM 1053 CD GLN A 80 13.084 -0.169 -0.014 1.00 0.00 C ATOM 1054 OE1 GLN A 80 12.297 -0.903 -0.611 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.213 1.154 -0.303 1.00 0.00 N ATOM 0 H GLN A 80 13.175 -1.074 4.705 1.00 0.00 H new ATOM 0 HA GLN A 80 13.101 0.972 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.840 -1.702 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.380 -1.814 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.728 0.006 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.514 -1.603 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.878 1.727 0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.645 1.573 -1.039 1.00 0.00 H new ATOM 1064 N ALA A 81 10.215 -0.477 3.310 1.00 0.00 N ATOM 1065 CA ALA A 81 8.816 -0.240 3.121 1.00 0.00 C ATOM 1066 C ALA A 81 8.338 1.072 3.639 1.00 0.00 C ATOM 1067 O ALA A 81 7.533 1.719 2.970 1.00 0.00 O ATOM 1068 CB ALA A 81 8.001 -1.368 3.777 1.00 0.00 C ATOM 0 H ALA A 81 10.422 -1.268 3.920 1.00 0.00 H new ATOM 0 HA ALA A 81 8.665 -0.219 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.937 -1.181 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.269 -2.322 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.219 -1.401 4.844 1.00 0.00 H new ATOM 1074 N VAL A 82 8.846 1.551 4.788 1.00 0.00 N ATOM 1075 CA VAL A 82 8.528 2.848 5.301 1.00 0.00 C ATOM 1076 C VAL A 82 8.815 3.900 4.286 1.00 0.00 C ATOM 1077 O VAL A 82 7.922 4.656 3.905 1.00 0.00 O ATOM 1078 CB VAL A 82 9.255 3.225 6.558 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.084 4.713 6.907 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.774 2.380 7.750 1.00 0.00 C ATOM 0 H VAL A 82 9.493 1.025 5.375 1.00 0.00 H new ATOM 0 HA VAL A 82 7.466 2.788 5.540 1.00 0.00 H new ATOM 0 HB VAL A 82 10.311 3.031 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.629 4.936 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.476 5.325 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.026 4.934 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.318 2.674 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.707 2.541 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.956 1.325 7.545 1.00 0.00 H new ATOM 1090 N GLU A 83 10.055 3.992 3.775 1.00 0.00 N ATOM 1091 CA GLU A 83 10.406 5.033 2.860 1.00 0.00 C ATOM 1092 C GLU A 83 9.785 4.948 1.508 1.00 0.00 C ATOM 1093 O GLU A 83 9.517 5.973 0.886 1.00 0.00 O ATOM 1094 CB GLU A 83 11.929 5.205 2.732 1.00 0.00 C ATOM 1095 CG GLU A 83 12.599 5.494 4.077 1.00 0.00 C ATOM 1096 CD GLU A 83 13.626 6.614 3.985 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.813 6.352 3.654 1.00 0.00 O ATOM 1098 OE2 GLU A 83 13.245 7.788 4.245 1.00 0.00 O ATOM 0 H GLU A 83 10.814 3.347 3.995 1.00 0.00 H new ATOM 0 HA GLU A 83 9.974 5.921 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.359 4.300 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.143 6.020 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.837 5.762 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.085 4.588 4.440 1.00 0.00 H new ATOM 1105 N THR A 84 9.447 3.728 1.053 1.00 0.00 N ATOM 1106 CA THR A 84 8.737 3.430 -0.152 1.00 0.00 C ATOM 1107 C THR A 84 7.334 3.930 -0.129 1.00 0.00 C ATOM 1108 O THR A 84 6.762 4.266 -1.164 1.00 0.00 O ATOM 1109 CB THR A 84 8.803 1.957 -0.428 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.165 1.601 -0.618 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.095 1.464 -1.701 1.00 0.00 C ATOM 0 H THR A 84 9.691 2.884 1.571 1.00 0.00 H new ATOM 0 HA THR A 84 9.224 3.961 -0.970 1.00 0.00 H new ATOM 0 HB THR A 84 8.303 1.505 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.530 1.244 0.219 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.214 0.384 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.034 1.709 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.534 1.949 -2.573 1.00 0.00 H new ATOM 1119 N LEU A 85 6.729 4.070 1.065 1.00 0.00 N ATOM 1120 CA LEU A 85 5.497 4.759 1.287 1.00 0.00 C ATOM 1121 C LEU A 85 5.696 6.205 1.588 1.00 0.00 C ATOM 1122 O LEU A 85 5.017 7.056 1.015 1.00 0.00 O ATOM 1123 CB LEU A 85 4.743 4.042 2.421 1.00 0.00 C ATOM 1124 CG LEU A 85 4.305 2.615 2.053 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.164 1.704 3.284 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.969 2.607 1.290 1.00 0.00 C ATOM 0 H LEU A 85 7.123 3.680 1.922 1.00 0.00 H new ATOM 0 HA LEU A 85 4.906 4.733 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.381 4.002 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.863 4.627 2.689 1.00 0.00 H new ATOM 0 HG LEU A 85 5.098 2.227 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.853 0.709 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.122 1.637 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.417 2.119 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.694 1.580 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.193 3.054 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.072 3.181 0.369 1.00 0.00 H new ATOM 1138 N ARG A 86 6.628 6.586 2.480 1.00 0.00 N ATOM 1139 CA ARG A 86 6.771 7.930 2.946 1.00 0.00 C ATOM 1140 C ARG A 86 7.324 8.925 1.982 1.00 0.00 C ATOM 1141 O ARG A 86 6.765 10.010 1.833 1.00 0.00 O ATOM 1142 CB ARG A 86 7.280 8.110 4.386 1.00 0.00 C ATOM 1143 CG ARG A 86 8.673 7.751 4.908 1.00 0.00 C ATOM 1144 CD ARG A 86 9.867 8.399 4.203 1.00 0.00 C ATOM 1145 NE ARG A 86 9.804 9.880 4.351 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.894 10.688 4.216 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.160 10.219 4.010 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.744 12.045 4.238 1.00 0.00 N ATOM 0 H ARG A 86 7.302 5.939 2.889 1.00 0.00 H new ATOM 0 HA ARG A 86 5.718 8.203 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.146 9.168 4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.581 7.558 5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.718 8.017 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.789 6.669 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.798 8.022 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.866 8.130 3.147 1.00 0.00 H new ATOM 0 HE ARG A 86 8.904 10.310 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.328 9.215 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.937 10.873 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.817 12.454 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.559 12.650 4.137 1.00 0.00 H new ATOM 1162 N ASN A 87 8.408 8.611 1.251 1.00 0.00 N ATOM 1163 CA ASN A 87 9.125 9.540 0.434 1.00 0.00 C ATOM 1164 C ASN A 87 8.621 9.494 -0.967 1.00 0.00 C ATOM 1165 O ASN A 87 9.359 9.449 -1.949 1.00 0.00 O ATOM 1166 CB ASN A 87 10.643 9.295 0.499 1.00 0.00 C ATOM 1167 CG ASN A 87 11.431 10.532 0.093 1.00 0.00 C ATOM 1168 OD1 ASN A 87 10.915 11.643 -0.016 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.761 10.346 -0.124 1.00 0.00 N ATOM 0 H ASN A 87 8.801 7.670 1.228 1.00 0.00 H new ATOM 0 HA ASN A 87 8.950 10.543 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.921 9.002 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.906 8.465 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.351 11.137 -0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.168 9.416 -0.028 1.00 0.00 H new ATOM 1176 N THR A 88 7.282 9.489 -1.093 1.00 0.00 N ATOM 1177 CA THR A 88 6.520 9.614 -2.297 1.00 0.00 C ATOM 1178 C THR A 88 6.082 11.032 -2.427 1.00 0.00 C ATOM 1179 O THR A 88 6.024 11.759 -1.436 1.00 0.00 O ATOM 1180 CB THR A 88 5.335 8.697 -2.243 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.595 8.864 -1.041 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.838 7.244 -2.228 1.00 0.00 C ATOM 0 H THR A 88 6.679 9.388 -0.276 1.00 0.00 H new ATOM 0 HA THR A 88 7.123 9.337 -3.162 1.00 0.00 H new ATOM 0 HB THR A 88 4.707 8.924 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.840 8.160 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.987 6.565 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.416 7.050 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.469 7.086 -1.353 1.00 0.00 H new ATOM 1190 N GLY A 89 5.770 11.496 -3.652 1.00 0.00 N ATOM 1191 CA GLY A 89 5.411 12.854 -3.918 1.00 0.00 C ATOM 1192 C GLY A 89 4.145 13.317 -3.283 1.00 0.00 C ATOM 1193 O GLY A 89 4.146 14.234 -2.463 1.00 0.00 O ATOM 0 H GLY A 89 5.768 10.906 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.223 13.499 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.325 12.985 -4.997 1.00 0.00 H new ATOM 1197 N GLN A 90 3.006 12.713 -3.666 1.00 0.00 N ATOM 1198 CA GLN A 90 1.732 13.004 -3.084 1.00 0.00 C ATOM 1199 C GLN A 90 0.837 11.824 -3.258 1.00 0.00 C ATOM 1200 O GLN A 90 0.369 11.239 -2.283 1.00 0.00 O ATOM 1201 CB GLN A 90 1.086 14.241 -3.730 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.300 14.609 -3.196 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.264 15.123 -1.764 1.00 0.00 C ATOM 1204 OE1 GLN A 90 0.031 14.428 -0.794 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.605 16.432 -1.616 1.00 0.00 N ATOM 0 H GLN A 90 2.969 12.004 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 90 1.878 13.218 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.750 15.093 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.010 14.072 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.742 15.370 -3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.948 13.734 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.847 16.992 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.619 16.853 -0.687 1.00 0.00 H new ATOM 1214 N VAL A 91 0.578 11.421 -4.515 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.252 10.297 -4.818 1.00 0.00 C ATOM 1216 C VAL A 91 0.484 9.023 -4.582 1.00 0.00 C ATOM 1217 O VAL A 91 1.559 8.757 -5.117 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.848 10.277 -6.195 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.509 8.929 -6.530 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.882 11.415 -6.241 1.00 0.00 C ATOM 0 H VAL A 91 0.955 11.888 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.096 10.399 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.064 10.414 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.924 8.968 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.764 8.135 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.307 8.728 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.347 11.444 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.647 11.243 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.386 12.366 -6.046 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.146 8.184 -3.740 1.00 0.00 N ATOM 1231 CA VAL A 92 0.297 6.866 -3.404 1.00 0.00 C ATOM 1232 C VAL A 92 -0.686 5.909 -3.983 1.00 0.00 C ATOM 1233 O VAL A 92 -1.795 5.744 -3.477 1.00 0.00 O ATOM 1234 CB VAL A 92 0.363 6.755 -1.909 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.829 5.351 -1.490 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.394 7.787 -1.418 1.00 0.00 C ATOM 0 H VAL A 92 -1.013 8.440 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 92 1.288 6.647 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.623 6.934 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.870 5.291 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.128 4.607 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.820 5.158 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.470 7.737 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.366 7.569 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.077 8.787 -1.713 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.323 5.232 -5.088 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.046 4.100 -5.582 1.00 0.00 C ATOM 1248 C HIS A 93 -0.692 2.907 -4.764 1.00 0.00 C ATOM 1249 O HIS A 93 0.400 2.361 -4.922 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.731 3.734 -7.043 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.067 4.818 -8.024 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.221 5.899 -8.169 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.178 4.972 -8.792 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.838 6.705 -9.012 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -2.032 6.194 -9.417 1.00 0.00 N ATOM 0 H HIS A 93 0.492 5.477 -5.651 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.099 4.376 -5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.329 3.496 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.282 2.832 -7.309 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.003 4.282 -8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.443 7.655 -9.341 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.693 6.630 -10.060 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.582 2.457 -3.862 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.418 1.295 -3.045 1.00 0.00 C ATOM 1265 C LEU A 94 -2.000 0.137 -3.779 1.00 0.00 C ATOM 1266 O LEU A 94 -3.214 -0.012 -3.901 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.174 1.432 -1.712 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.543 2.324 -0.630 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.029 1.882 0.761 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.009 2.222 -0.597 1.00 0.00 C ATOM 0 H LEU A 94 -2.468 2.933 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.357 1.163 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.170 1.818 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.302 0.434 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.839 3.344 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.578 2.518 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.114 1.969 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.739 0.846 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.382 2.872 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.283 1.192 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.397 2.529 -1.561 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.127 -0.748 -4.293 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.533 -1.976 -4.904 1.00 0.00 C ATOM 1284 C LEU A 95 -1.642 -2.994 -3.822 1.00 0.00 C ATOM 1285 O LEU A 95 -0.646 -3.573 -3.391 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.522 -2.391 -5.985 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.167 -3.077 -7.200 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.052 -3.687 -8.066 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.227 -4.131 -6.834 1.00 0.00 C ATOM 0 H LEU A 95 -0.117 -0.607 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.496 -1.871 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.020 -1.507 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.212 -3.066 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.713 -2.316 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.493 -4.178 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.622 -2.898 -8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.506 -4.417 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.635 -4.569 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.769 -4.913 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.030 -3.658 -6.268 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.878 -3.172 -3.323 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.251 -4.002 -2.219 1.00 0.00 C ATOM 1303 C LEU A 96 -3.862 -5.270 -2.707 1.00 0.00 C ATOM 1304 O LEU A 96 -4.607 -5.270 -3.687 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.304 -3.290 -1.354 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.769 -2.063 -0.596 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.815 -0.936 -0.567 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.338 -2.440 0.832 1.00 0.00 C ATOM 0 H LEU A 96 -3.684 -2.694 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.351 -4.209 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.131 -2.978 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.708 -4.001 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.891 -1.699 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.413 -0.080 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.058 -0.639 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.717 -1.290 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.964 -1.554 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.193 -2.841 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.551 -3.193 0.788 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.592 -6.401 -2.030 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.290 -7.636 -2.208 1.00 0.00 C ATOM 1322 C GLU A 97 -5.016 -7.969 -0.951 1.00 0.00 C ATOM 1323 O GLU A 97 -4.473 -7.854 0.147 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.324 -8.790 -2.528 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.967 -10.131 -2.888 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.938 -11.251 -2.851 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.010 -11.296 -3.702 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -3.013 -12.082 -1.906 1.00 0.00 O ATOM 0 H GLU A 97 -2.854 -6.456 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.980 -7.515 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.686 -8.483 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.675 -8.942 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.775 -10.351 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.411 -10.071 -3.882 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.275 -8.421 -1.083 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.144 -8.807 -0.015 1.00 0.00 C ATOM 1337 C LYS A 98 -6.639 -9.966 0.774 1.00 0.00 C ATOM 1338 O LYS A 98 -6.497 -11.075 0.263 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.531 -9.182 -0.562 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.586 -9.563 0.479 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.176 -8.373 1.239 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.212 -7.617 0.405 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.699 -6.407 1.104 1.00 0.00 N ATOM 0 H LYS A 98 -6.715 -8.523 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.195 -7.941 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.910 -8.340 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.413 -10.017 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.394 -10.099 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.140 -10.253 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.640 -8.725 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.374 -7.692 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.773 -7.333 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.053 -8.275 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.399 -5.920 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.141 -6.681 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.900 -5.768 1.290 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.375 -9.770 2.078 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.861 -10.796 2.931 1.00 0.00 C ATOM 1359 C GLY A 99 -6.909 -11.555 3.669 1.00 0.00 C ATOM 1360 O GLY A 99 -6.929 -11.583 4.899 1.00 0.00 O ATOM 0 H GLY A 99 -6.522 -8.878 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.277 -11.494 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.178 -10.346 3.652 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.800 -12.236 2.925 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.793 -13.134 3.427 1.00 0.00 C ATOM 1366 C GLN A 100 -8.540 -14.504 2.902 1.00 0.00 C ATOM 1367 O GLN A 100 -7.968 -14.677 1.826 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.219 -12.709 3.036 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.672 -11.427 3.736 1.00 0.00 C ATOM 1370 CD GLN A 100 -12.137 -11.151 3.431 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.564 -11.116 2.278 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -12.957 -10.962 4.500 1.00 0.00 N ATOM 0 H GLN A 100 -7.827 -12.153 1.909 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.722 -13.116 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.266 -12.564 1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.912 -13.514 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.529 -11.522 4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.060 -10.588 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.578 -10.996 5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.951 -10.786 4.355 1.00 0.00 H new ATOM 1381 N VAL A 101 -8.956 -15.543 3.647 1.00 0.00 N ATOM 1382 CA VAL A 101 -8.734 -16.908 3.280 1.00 0.00 C ATOM 1383 C VAL A 101 -9.805 -17.437 2.387 1.00 0.00 C ATOM 1384 O VAL A 101 -10.936 -16.962 2.473 1.00 0.00 O ATOM 1385 CB VAL A 101 -8.530 -17.801 4.468 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -7.250 -17.376 5.206 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -9.725 -17.804 5.437 1.00 0.00 C ATOM 0 H VAL A 101 -9.460 -15.432 4.527 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.803 -16.913 2.712 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.436 -18.821 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.097 -18.022 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.397 -17.462 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.348 -16.342 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.513 -18.469 6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.893 -16.794 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.616 -18.151 4.914 1.00 0.00 H new ATOM 1397 N PRO A 102 -9.546 -18.360 1.511 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.549 -18.912 0.646 1.00 0.00 C ATOM 1399 C PRO A 102 -11.610 -19.724 1.303 1.00 0.00 C ATOM 1400 O PRO A 102 -11.436 -20.226 2.447 1.00 0.00 O ATOM 1401 CB PRO A 102 -9.786 -19.821 -0.314 1.00 0.00 C ATOM 1402 CG PRO A 102 -8.410 -19.144 -0.418 1.00 0.00 C ATOM 1403 CD PRO A 102 -8.208 -18.669 1.030 1.00 0.00 C ATOM 1404 OXT PRO A 102 -12.682 -19.918 0.669 1.00 0.00 O ATOM 0 HA PRO A 102 -11.084 -18.080 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.707 -20.838 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.278 -19.885 -1.285 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.632 -19.838 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.410 -18.317 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.738 -19.442 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.561 -17.793 1.072 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.705 -2.817 16.620 1.00 0.00 N ATOM 1414 CA TYR B 205 11.181 -3.657 15.565 1.00 0.00 C ATOM 1415 C TYR B 205 10.589 -3.168 14.287 1.00 0.00 C ATOM 1416 O TYR B 205 11.291 -2.881 13.320 1.00 0.00 O ATOM 1417 CB TYR B 205 10.833 -5.137 15.794 1.00 0.00 C ATOM 1418 CG TYR B 205 11.472 -5.649 17.040 1.00 0.00 C ATOM 1419 CD1 TYR B 205 12.827 -5.878 17.082 1.00 0.00 C ATOM 1420 CD2 TYR B 205 10.713 -5.916 18.155 1.00 0.00 C ATOM 1421 CE1 TYR B 205 13.419 -6.371 18.222 1.00 0.00 C ATOM 1422 CE2 TYR B 205 11.296 -6.413 19.298 1.00 0.00 C ATOM 1423 CZ TYR B 205 12.652 -6.643 19.330 1.00 0.00 C ATOM 1424 OH TYR B 205 13.244 -7.158 20.502 1.00 0.00 O ATOM 0 HA TYR B 205 12.269 -3.603 15.531 1.00 0.00 H new ATOM 0 HB2 TYR B 205 9.751 -5.254 15.861 1.00 0.00 H new ATOM 0 HB3 TYR B 205 11.165 -5.729 14.941 1.00 0.00 H new ATOM 0 HD1 TYR B 205 13.432 -5.669 16.212 1.00 0.00 H new ATOM 0 HD2 TYR B 205 9.649 -5.734 18.133 1.00 0.00 H new ATOM 0 HE1 TYR B 205 14.485 -6.544 18.246 1.00 0.00 H new ATOM 0 HE2 TYR B 205 10.691 -6.622 20.168 1.00 0.00 H new ATOM 0 HH TYR B 205 12.555 -7.290 21.186 1.00 0.00 H new ATOM 1434 N LEU B 206 9.251 -3.043 14.243 1.00 0.00 N ATOM 1435 CA LEU B 206 8.549 -2.478 13.132 1.00 0.00 C ATOM 1436 C LEU B 206 7.357 -1.727 13.617 1.00 0.00 C ATOM 1437 O LEU B 206 7.343 -1.268 14.758 1.00 0.00 O ATOM 1438 CB LEU B 206 8.255 -3.497 12.019 1.00 0.00 C ATOM 1439 CG LEU B 206 7.121 -4.522 12.183 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.358 -5.624 11.136 1.00 0.00 C ATOM 1441 CD2 LEU B 206 7.056 -5.187 13.569 1.00 0.00 C ATOM 0 H LEU B 206 8.639 -3.343 15.002 1.00 0.00 H new ATOM 0 HA LEU B 206 9.201 -1.757 12.639 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.049 -2.931 11.110 1.00 0.00 H new ATOM 0 HB3 LEU B 206 9.173 -4.058 11.844 1.00 0.00 H new ATOM 0 HG LEU B 206 6.179 -3.988 12.057 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.574 -6.377 11.216 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.341 -5.187 10.138 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.327 -6.090 11.312 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.227 -5.895 13.595 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.990 -5.715 13.764 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.905 -4.424 14.332 1.00 0.00 H new ATOM 1453 N VAL B 207 6.338 -1.550 12.758 1.00 0.00 N ATOM 1454 CA VAL B 207 5.098 -0.904 13.060 1.00 0.00 C ATOM 1455 C VAL B 207 5.231 0.565 13.264 1.00 0.00 C ATOM 1456 O VAL B 207 5.638 1.100 14.295 1.00 0.00 O ATOM 1457 CB VAL B 207 4.234 -1.701 13.991 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.256 -0.867 14.836 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.495 -2.755 13.150 1.00 0.00 C ATOM 0 H VAL B 207 6.383 -1.878 11.793 1.00 0.00 H new ATOM 0 HA VAL B 207 4.476 -0.910 12.165 1.00 0.00 H new ATOM 0 HB VAL B 207 4.882 -2.167 14.733 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.674 -1.529 15.478 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.816 -0.164 15.452 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.584 -0.317 14.177 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.855 -3.354 13.798 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.884 -2.257 12.397 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.221 -3.402 12.658 1.00 0.00 H new ATOM 1469 N THR B 208 4.944 1.273 12.158 1.00 0.00 N ATOM 1470 CA THR B 208 5.257 2.655 11.954 1.00 0.00 C ATOM 1471 C THR B 208 4.155 3.126 11.069 1.00 0.00 C ATOM 1472 O THR B 208 3.972 2.556 9.994 1.00 0.00 O ATOM 1473 CB THR B 208 6.547 2.824 11.207 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.649 2.302 11.934 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.862 4.290 10.867 1.00 0.00 C ATOM 0 H THR B 208 4.465 0.857 11.359 1.00 0.00 H new ATOM 0 HA THR B 208 5.355 3.189 12.899 1.00 0.00 H new ATOM 0 HB THR B 208 6.405 2.268 10.280 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.003 1.514 11.471 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.808 4.343 10.327 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.066 4.698 10.245 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.937 4.869 11.787 1.00 0.00 H new ATOM 1483 N SER B 209 3.377 4.142 11.481 1.00 0.00 N ATOM 1484 CA SER B 209 2.339 4.725 10.689 1.00 0.00 C ATOM 1485 C SER B 209 2.904 5.544 9.580 1.00 0.00 C ATOM 1486 O SER B 209 3.909 6.231 9.757 1.00 0.00 O ATOM 1487 CB SER B 209 1.353 5.592 11.489 1.00 0.00 C ATOM 1488 OG SER B 209 0.811 4.862 12.581 1.00 0.00 O ATOM 0 H SER B 209 3.474 4.574 12.400 1.00 0.00 H new ATOM 0 HA SER B 209 1.781 3.876 10.292 1.00 0.00 H new ATOM 0 HB2 SER B 209 1.861 6.483 11.858 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.548 5.931 10.837 1.00 0.00 H new ATOM 0 HG SER B 209 0.188 5.432 13.078 1.00 0.00 H new ATOM 1494 N VAL B 210 2.317 5.486 8.371 1.00 0.00 N ATOM 1495 CA VAL B 210 2.889 6.032 7.179 1.00 0.00 C ATOM 1496 C VAL B 210 1.714 6.117 6.215 1.00 0.00 C ATOM 1497 O VAL B 210 0.612 5.600 6.541 1.00 0.00 O ATOM 1498 CB VAL B 210 3.982 5.167 6.625 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.438 3.852 6.042 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.773 5.949 5.564 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.869 6.782 5.155 1.00 0.00 O ATOM 0 H VAL B 210 1.411 5.043 8.218 1.00 0.00 H new ATOM 0 HA VAL B 210 3.363 6.997 7.360 1.00 0.00 H new ATOM 0 HB VAL B 210 4.647 4.897 7.445 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.264 3.257 5.652 1.00 0.00 H new ATOM 0 HG12 VAL B 210 2.925 3.292 6.824 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.738 4.073 5.236 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.566 5.318 5.163 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.103 6.246 4.757 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.211 6.838 6.018 1.00 0.00 H new TER 1511 VAL B 210