USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 49 GLN : amide:sc= 1.01 K(o=2.1,f=0.037) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.737) USER MOD Single : A 41 SER OG : rot 84:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 1.04 (180deg=0.864) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 77:sc=0.000551 USER MOD Single : A 51 HIS : no HD1:sc= 0.938 K(o=0.94,f=-3.6!) USER MOD Single : A 53 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.072) USER MOD Single : A 61 GLN : amide:sc= 0.917 K(o=0.92,f=-5.4!) USER MOD Single : A 64 TYR OH : rot 50:sc= -0.288 USER MOD Single : A 66 SER OG : rot 66:sc= 0.142 USER MOD Single : A 68 THR OG1 : rot -168:sc= 0.624 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.782! C(o=-0.78!,f=-9.6!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.195 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 81:sc= 1.22 USER MOD Single : A 105 CYS SG : rot 76:sc= -1.19 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.655 -7.643 0.076 1.00 0.00 N ATOM 45 CA LEU A 35 3.242 -8.961 -0.208 1.00 0.00 C ATOM 46 C LEU A 35 2.126 -9.843 -0.774 1.00 0.00 C ATOM 47 O LEU A 35 0.964 -9.513 -0.573 1.00 0.00 O ATOM 48 CB LEU A 35 3.820 -9.586 1.078 1.00 0.00 C ATOM 49 CG LEU A 35 4.948 -8.771 1.745 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.415 -9.481 3.020 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.141 -8.541 0.809 1.00 0.00 C ATOM 0 HA LEU A 35 4.060 -8.869 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.011 -9.716 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.200 -10.580 0.843 1.00 0.00 H new ATOM 0 HG LEU A 35 4.538 -7.791 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.211 -8.902 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.578 -9.573 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.788 -10.474 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.905 -7.963 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.557 -9.502 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.810 -7.994 -0.074 1.00 0.00 H new ATOM 63 N GLU A 36 2.433 -10.964 -1.437 1.00 0.00 N ATOM 64 CA GLU A 36 1.424 -11.730 -2.189 1.00 0.00 C ATOM 65 C GLU A 36 0.229 -12.102 -1.324 1.00 0.00 C ATOM 66 O GLU A 36 -0.902 -11.755 -1.661 1.00 0.00 O ATOM 67 CB GLU A 36 2.054 -12.958 -2.874 1.00 0.00 C ATOM 68 CG GLU A 36 1.043 -13.759 -3.708 1.00 0.00 C ATOM 69 CD GLU A 36 1.748 -14.884 -4.492 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.221 -14.635 -5.630 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.831 -16.025 -3.979 1.00 0.00 O ATOM 0 H GLU A 36 3.371 -11.363 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 36 1.041 -11.082 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.870 -12.630 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.488 -13.609 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.283 -14.187 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.529 -13.094 -4.401 1.00 0.00 H new ATOM 78 N ALA A 37 0.469 -12.748 -0.185 1.00 0.00 N ATOM 79 CA ALA A 37 -0.629 -13.227 0.646 1.00 0.00 C ATOM 80 C ALA A 37 -1.442 -12.059 1.222 1.00 0.00 C ATOM 81 O ALA A 37 -2.659 -12.167 1.384 1.00 0.00 O ATOM 82 CB ALA A 37 -0.114 -14.155 1.749 1.00 0.00 C ATOM 0 H ALA A 37 1.401 -12.949 0.178 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.302 -13.807 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.952 -14.499 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.385 -15.013 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.592 -13.614 2.379 1.00 0.00 H new ATOM 88 N ASP A 38 -0.795 -10.925 1.505 1.00 0.00 N ATOM 89 CA ASP A 38 -1.486 -9.742 2.018 1.00 0.00 C ATOM 90 C ASP A 38 -2.271 -9.031 0.914 1.00 0.00 C ATOM 91 O ASP A 38 -3.376 -8.551 1.154 1.00 0.00 O ATOM 92 CB ASP A 38 -0.489 -8.782 2.664 1.00 0.00 C ATOM 93 CG ASP A 38 -1.231 -7.668 3.416 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.966 -7.974 4.386 1.00 0.00 O ATOM 95 OD2 ASP A 38 -1.089 -6.477 3.055 1.00 0.00 O ATOM 0 H ASP A 38 0.211 -10.803 1.386 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.198 -10.073 2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.157 -9.327 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.155 -8.347 1.900 1.00 0.00 H new ATOM 100 N LEU A 39 -1.738 -9.012 -0.315 1.00 0.00 N ATOM 101 CA LEU A 39 -2.364 -8.417 -1.492 1.00 0.00 C ATOM 102 C LEU A 39 -3.676 -9.118 -1.745 1.00 0.00 C ATOM 103 O LEU A 39 -4.722 -8.470 -1.811 1.00 0.00 O ATOM 104 CB LEU A 39 -1.438 -8.538 -2.724 1.00 0.00 C ATOM 105 CG LEU A 39 -2.019 -7.952 -4.039 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.872 -7.451 -4.922 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.848 -8.949 -4.865 1.00 0.00 C ATOM 0 H LEU A 39 -0.828 -9.426 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.541 -7.356 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.497 -8.034 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.206 -9.591 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.690 -7.149 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.277 -7.039 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.317 -6.677 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.205 -8.280 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.216 -8.458 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.224 -9.798 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.693 -9.299 -4.272 1.00 0.00 H new ATOM 119 N VAL A 40 -3.618 -10.443 -1.868 1.00 0.00 N ATOM 120 CA VAL A 40 -4.784 -11.224 -2.218 1.00 0.00 C ATOM 121 C VAL A 40 -5.811 -11.109 -1.087 1.00 0.00 C ATOM 122 O VAL A 40 -6.985 -10.900 -1.382 1.00 0.00 O ATOM 123 CB VAL A 40 -4.383 -12.660 -2.620 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.378 -12.621 -3.787 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.815 -13.480 -1.458 1.00 0.00 C ATOM 0 H VAL A 40 -2.769 -10.992 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.274 -10.834 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.298 -13.163 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.101 -13.639 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.834 -12.124 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.487 -12.073 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.554 -14.478 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.924 -12.989 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.562 -13.558 -0.668 1.00 0.00 H new ATOM 135 N SER A 41 -5.386 -11.114 0.187 1.00 0.00 N ATOM 136 CA SER A 41 -6.288 -10.960 1.325 1.00 0.00 C ATOM 137 C SER A 41 -6.969 -9.588 1.344 1.00 0.00 C ATOM 138 O SER A 41 -8.194 -9.540 1.400 1.00 0.00 O ATOM 139 CB SER A 41 -5.544 -11.232 2.645 1.00 0.00 C ATOM 140 OG SER A 41 -5.011 -12.547 2.660 1.00 0.00 O ATOM 0 H SER A 41 -4.407 -11.225 0.450 1.00 0.00 H new ATOM 0 HA SER A 41 -7.080 -11.701 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.740 -10.507 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.225 -11.101 3.486 1.00 0.00 H new ATOM 0 HG SER A 41 -4.145 -12.554 2.202 1.00 0.00 H new ATOM 146 N LYS A 42 -6.230 -8.472 1.258 1.00 0.00 N ATOM 147 CA LYS A 42 -6.838 -7.135 1.296 1.00 0.00 C ATOM 148 C LYS A 42 -7.733 -6.921 0.080 1.00 0.00 C ATOM 149 O LYS A 42 -8.823 -6.378 0.244 1.00 0.00 O ATOM 150 CB LYS A 42 -5.764 -6.029 1.359 1.00 0.00 C ATOM 151 CG LYS A 42 -5.231 -5.803 2.783 1.00 0.00 C ATOM 152 CD LYS A 42 -4.291 -4.587 2.803 1.00 0.00 C ATOM 153 CE LYS A 42 -3.803 -4.204 4.206 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.889 -5.213 4.801 1.00 0.00 N ATOM 0 H LYS A 42 -5.215 -8.469 1.162 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.443 -7.074 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.935 -6.295 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.184 -5.097 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.062 -5.643 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.699 -6.690 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.427 -4.797 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.807 -3.734 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.291 -3.243 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.665 -4.072 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.488 -4.839 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.419 -6.085 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.120 -5.422 4.133 1.00 0.00 H new ATOM 168 N MET A 43 -7.332 -7.346 -1.120 1.00 0.00 N ATOM 169 CA MET A 43 -8.159 -7.117 -2.300 1.00 0.00 C ATOM 170 C MET A 43 -9.408 -8.003 -2.273 1.00 0.00 C ATOM 171 O MET A 43 -10.496 -7.500 -2.548 1.00 0.00 O ATOM 172 CB MET A 43 -7.338 -7.283 -3.582 1.00 0.00 C ATOM 173 CG MET A 43 -6.304 -6.150 -3.718 1.00 0.00 C ATOM 174 SD MET A 43 -5.642 -5.944 -5.395 1.00 0.00 S ATOM 175 CE MET A 43 -4.448 -4.611 -5.144 1.00 0.00 C ATOM 0 H MET A 43 -6.457 -7.840 -1.296 1.00 0.00 H new ATOM 0 HA MET A 43 -8.510 -6.085 -2.287 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.829 -8.247 -3.571 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.001 -7.282 -4.447 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.765 -5.213 -3.404 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.477 -6.344 -3.034 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.961 -4.375 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.964 -3.726 -4.771 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.698 -4.926 -4.419 1.00 0.00 H new ATOM 185 N LEU A 44 -9.292 -9.269 -1.850 1.00 0.00 N ATOM 186 CA LEU A 44 -10.437 -10.145 -1.576 1.00 0.00 C ATOM 187 C LEU A 44 -11.408 -9.418 -0.650 1.00 0.00 C ATOM 188 O LEU A 44 -12.572 -9.204 -0.984 1.00 0.00 O ATOM 189 CB LEU A 44 -9.919 -11.450 -0.927 1.00 0.00 C ATOM 190 CG LEU A 44 -10.955 -12.333 -0.217 1.00 0.00 C ATOM 191 CD1 LEU A 44 -12.002 -12.835 -1.199 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.269 -13.521 0.458 1.00 0.00 C ATOM 0 H LEU A 44 -8.391 -9.718 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.962 -10.397 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.439 -12.047 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.147 -11.186 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.450 -11.727 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.725 -13.458 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.515 -11.985 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.517 -13.422 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.017 -14.137 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.750 -14.117 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.550 -13.157 1.192 1.00 0.00 H new ATOM 204 N ARG A 45 -10.894 -8.986 0.497 1.00 0.00 N ATOM 205 CA ARG A 45 -11.630 -8.242 1.503 1.00 0.00 C ATOM 206 C ARG A 45 -12.311 -7.026 0.892 1.00 0.00 C ATOM 207 O ARG A 45 -13.488 -6.816 1.158 1.00 0.00 O ATOM 208 CB ARG A 45 -10.636 -7.934 2.630 1.00 0.00 C ATOM 209 CG ARG A 45 -11.034 -6.825 3.601 1.00 0.00 C ATOM 210 CD ARG A 45 -10.456 -5.447 3.241 1.00 0.00 C ATOM 211 NE ARG A 45 -10.353 -4.669 4.476 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.243 -3.354 4.651 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.063 -2.526 3.623 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.328 -2.899 5.892 1.00 0.00 N ATOM 0 H ARG A 45 -9.922 -9.152 0.757 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.458 -8.812 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.474 -8.848 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.680 -7.667 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.121 -6.755 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.703 -7.097 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.477 -5.554 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.099 -4.939 2.522 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.368 -5.219 5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.006 -2.896 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.982 -1.522 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.472 -3.549 6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.249 -1.899 6.075 1.00 0.00 H new ATOM 228 N ALA A 46 -11.620 -6.246 0.067 1.00 0.00 N ATOM 229 CA ALA A 46 -12.177 -5.014 -0.453 1.00 0.00 C ATOM 230 C ALA A 46 -13.339 -5.285 -1.405 1.00 0.00 C ATOM 231 O ALA A 46 -14.362 -4.611 -1.301 1.00 0.00 O ATOM 232 CB ALA A 46 -11.079 -4.188 -1.130 1.00 0.00 C ATOM 0 H ALA A 46 -10.673 -6.450 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.578 -4.438 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.506 -3.263 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.301 -3.951 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.647 -4.761 -1.951 1.00 0.00 H new ATOM 238 N VAL A 47 -13.222 -6.290 -2.284 1.00 0.00 N ATOM 239 CA VAL A 47 -14.327 -6.688 -3.154 1.00 0.00 C ATOM 240 C VAL A 47 -15.524 -7.073 -2.276 1.00 0.00 C ATOM 241 O VAL A 47 -16.638 -6.600 -2.498 1.00 0.00 O ATOM 242 CB VAL A 47 -13.886 -7.838 -4.088 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.047 -8.415 -4.913 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.822 -7.357 -5.084 1.00 0.00 C ATOM 0 H VAL A 47 -12.372 -6.839 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.625 -5.861 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.492 -8.611 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.677 -9.219 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.811 -8.807 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.478 -7.629 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.528 -8.184 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.231 -6.550 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.950 -6.995 -4.539 1.00 0.00 H new ATOM 254 N LEU A 48 -15.293 -7.879 -1.236 1.00 0.00 N ATOM 255 CA LEU A 48 -16.363 -8.333 -0.349 1.00 0.00 C ATOM 256 C LEU A 48 -17.000 -7.166 0.415 1.00 0.00 C ATOM 257 O LEU A 48 -18.210 -7.184 0.637 1.00 0.00 O ATOM 258 CB LEU A 48 -15.803 -9.355 0.651 1.00 0.00 C ATOM 259 CG LEU A 48 -15.279 -10.648 0.008 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.350 -11.319 1.013 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.423 -11.592 -0.342 1.00 0.00 C ATOM 0 H LEU A 48 -14.368 -8.231 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.136 -8.794 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.994 -8.889 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.584 -9.610 1.367 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.753 -10.410 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.959 -12.243 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.523 -10.649 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.903 -11.545 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.021 -12.498 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.971 -11.852 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.097 -11.102 -1.045 1.00 0.00 H new ATOM 273 N GLN A 49 -16.211 -6.168 0.832 1.00 0.00 N ATOM 274 CA GLN A 49 -16.716 -5.010 1.560 1.00 0.00 C ATOM 275 C GLN A 49 -17.652 -4.180 0.676 1.00 0.00 C ATOM 276 O GLN A 49 -18.685 -3.728 1.176 1.00 0.00 O ATOM 277 CB GLN A 49 -15.562 -4.147 2.113 1.00 0.00 C ATOM 278 CG GLN A 49 -14.910 -4.714 3.395 1.00 0.00 C ATOM 279 CD GLN A 49 -15.820 -4.707 4.632 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.945 -4.210 4.610 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.356 -5.265 5.738 1.00 0.00 N ATOM 0 H GLN A 49 -15.204 -6.146 0.671 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.289 -5.374 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.797 -4.046 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.939 -3.146 2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.590 -5.738 3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.013 -4.136 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.422 -5.675 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.932 -5.285 6.580 1.00 0.00 H new ATOM 290 N SER A 50 -17.346 -4.008 -0.612 1.00 0.00 N ATOM 291 CA SER A 50 -18.259 -3.365 -1.550 1.00 0.00 C ATOM 292 C SER A 50 -19.503 -4.230 -1.784 1.00 0.00 C ATOM 293 O SER A 50 -20.624 -3.714 -1.824 1.00 0.00 O ATOM 294 CB SER A 50 -17.528 -3.119 -2.878 1.00 0.00 C ATOM 295 OG SER A 50 -16.375 -2.312 -2.669 1.00 0.00 O ATOM 0 H SER A 50 -16.465 -4.309 -1.028 1.00 0.00 H new ATOM 0 HA SER A 50 -18.586 -2.414 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.237 -4.071 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.199 -2.630 -3.584 1.00 0.00 H new ATOM 0 HG SER A 50 -15.657 -2.860 -2.288 1.00 0.00 H new ATOM 301 N HIS A 51 -19.319 -5.548 -1.911 1.00 0.00 N ATOM 302 CA HIS A 51 -20.351 -6.479 -2.348 1.00 0.00 C ATOM 303 C HIS A 51 -21.062 -7.099 -1.136 1.00 0.00 C ATOM 304 O HIS A 51 -20.975 -8.304 -0.912 1.00 0.00 O ATOM 305 CB HIS A 51 -19.727 -7.539 -3.278 1.00 0.00 C ATOM 306 CG HIS A 51 -19.177 -7.004 -4.588 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.951 -5.665 -4.934 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.817 -7.792 -5.643 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.449 -5.694 -6.180 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.378 -6.953 -6.640 1.00 0.00 N ATOM 0 H HIS A 51 -18.428 -6.002 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.114 -5.949 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.922 -8.041 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.481 -8.294 -3.500 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.867 -8.870 -5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.143 -4.821 -6.737 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.056 -7.237 -7.565 1.00 0.00 H new ATOM 318 N LYS A 52 -21.769 -6.291 -0.334 1.00 0.00 N ATOM 319 CA LYS A 52 -22.438 -6.764 0.894 1.00 0.00 C ATOM 320 C LYS A 52 -23.490 -7.852 0.652 1.00 0.00 C ATOM 321 O LYS A 52 -23.790 -8.613 1.571 1.00 0.00 O ATOM 322 CB LYS A 52 -23.083 -5.589 1.657 1.00 0.00 C ATOM 323 CG LYS A 52 -22.094 -4.611 2.302 1.00 0.00 C ATOM 324 CD LYS A 52 -21.077 -5.313 3.224 1.00 0.00 C ATOM 325 CE LYS A 52 -20.441 -4.385 4.275 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.866 -3.134 3.703 1.00 0.00 N ATOM 0 H LYS A 52 -21.895 -5.295 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.648 -7.216 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.721 -5.035 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.730 -5.993 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.558 -4.074 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.647 -3.868 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.574 -6.137 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.287 -5.748 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.195 -4.121 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.655 -4.929 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.141 -2.759 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.434 -3.341 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.621 -2.429 3.582 1.00 0.00 H new ATOM 340 N ASN A 53 -24.037 -7.963 -0.564 1.00 0.00 N ATOM 341 CA ASN A 53 -24.929 -9.064 -0.945 1.00 0.00 C ATOM 342 C ASN A 53 -24.221 -10.431 -0.911 1.00 0.00 C ATOM 343 O ASN A 53 -24.885 -11.470 -0.926 1.00 0.00 O ATOM 344 CB ASN A 53 -25.505 -8.789 -2.345 1.00 0.00 C ATOM 345 CG ASN A 53 -26.523 -9.845 -2.784 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.260 -10.650 -3.674 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.702 -9.864 -2.177 1.00 0.00 N ATOM 0 H ASN A 53 -23.873 -7.290 -1.313 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.736 -9.112 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.980 -7.808 -2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.690 -8.753 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.404 -10.553 -2.448 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.907 -9.190 -1.440 1.00 0.00 H new ATOM 354 N GLY A 54 -22.886 -10.443 -0.839 1.00 0.00 N ATOM 355 CA GLY A 54 -22.054 -11.622 -0.936 1.00 0.00 C ATOM 356 C GLY A 54 -21.864 -12.029 -2.389 1.00 0.00 C ATOM 357 O GLY A 54 -22.547 -11.538 -3.295 1.00 0.00 O ATOM 0 H GLY A 54 -22.344 -9.589 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.084 -11.427 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.510 -12.441 -0.380 1.00 0.00 H new ATOM 361 N ILE A 55 -20.915 -12.937 -2.614 1.00 0.00 N ATOM 362 CA ILE A 55 -20.566 -13.466 -3.928 1.00 0.00 C ATOM 363 C ILE A 55 -20.331 -14.952 -3.745 1.00 0.00 C ATOM 364 O ILE A 55 -19.589 -15.360 -2.862 1.00 0.00 O ATOM 365 CB ILE A 55 -19.361 -12.694 -4.540 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.245 -12.289 -3.530 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.875 -11.447 -5.273 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.249 -11.241 -4.050 1.00 0.00 C ATOM 0 H ILE A 55 -20.352 -13.336 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.365 -13.325 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.883 -13.394 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.716 -11.903 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.692 -13.184 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.033 -10.904 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.557 -11.748 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.401 -10.802 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.512 -11.025 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.744 -11.627 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.784 -10.327 -4.307 1.00 0.00 H new ATOM 380 N VAL A 56 -21.025 -15.766 -4.538 1.00 0.00 N ATOM 381 CA VAL A 56 -20.852 -17.215 -4.561 1.00 0.00 C ATOM 382 C VAL A 56 -19.416 -17.529 -4.980 1.00 0.00 C ATOM 383 O VAL A 56 -18.869 -16.788 -5.785 1.00 0.00 O ATOM 384 CB VAL A 56 -21.899 -17.851 -5.502 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.313 -17.717 -4.927 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.871 -17.258 -6.918 1.00 0.00 C ATOM 0 H VAL A 56 -21.733 -15.432 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.015 -17.643 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.629 -18.904 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.029 -18.174 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.362 -18.220 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.555 -16.662 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.629 -17.745 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.077 -16.189 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.888 -17.418 -7.360 1.00 0.00 H new ATOM 396 N LEU A 57 -18.807 -18.614 -4.506 1.00 0.00 N ATOM 397 CA LEU A 57 -17.396 -18.924 -4.785 1.00 0.00 C ATOM 398 C LEU A 57 -16.917 -18.764 -6.261 1.00 0.00 C ATOM 399 O LEU A 57 -15.816 -18.236 -6.430 1.00 0.00 O ATOM 400 CB LEU A 57 -16.912 -20.228 -4.118 1.00 0.00 C ATOM 401 CG LEU A 57 -17.347 -21.553 -4.773 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.583 -22.710 -4.135 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.848 -21.840 -4.639 1.00 0.00 C ATOM 0 H LEU A 57 -19.272 -19.306 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.876 -18.106 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.823 -20.208 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.261 -20.230 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.124 -21.456 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.890 -23.648 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.513 -22.565 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.800 -22.744 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.082 -22.788 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.115 -21.896 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.415 -21.040 -5.115 1.00 0.00 H new ATOM 415 N PRO A 58 -17.653 -19.108 -7.348 1.00 0.00 N ATOM 416 CA PRO A 58 -17.164 -18.834 -8.704 1.00 0.00 C ATOM 417 C PRO A 58 -17.307 -17.348 -9.076 1.00 0.00 C ATOM 418 O PRO A 58 -16.426 -16.774 -9.716 1.00 0.00 O ATOM 419 CB PRO A 58 -17.993 -19.732 -9.625 1.00 0.00 C ATOM 420 CG PRO A 58 -19.324 -19.877 -8.898 1.00 0.00 C ATOM 421 CD PRO A 58 -18.889 -19.885 -7.429 1.00 0.00 C ATOM 0 HA PRO A 58 -16.098 -19.046 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.123 -19.283 -10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.514 -20.699 -9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.001 -19.051 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.842 -20.796 -9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.661 -19.449 -6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.728 -20.905 -7.080 1.00 0.00 H new ATOM 429 N ARG A 59 -18.383 -16.688 -8.628 1.00 0.00 N ATOM 430 CA ARG A 59 -18.546 -15.238 -8.777 1.00 0.00 C ATOM 431 C ARG A 59 -17.454 -14.513 -7.989 1.00 0.00 C ATOM 432 O ARG A 59 -16.990 -13.465 -8.432 1.00 0.00 O ATOM 433 CB ARG A 59 -19.967 -14.832 -8.326 1.00 0.00 C ATOM 434 CG ARG A 59 -20.309 -13.369 -8.646 1.00 0.00 C ATOM 435 CD ARG A 59 -21.755 -13.016 -8.271 1.00 0.00 C ATOM 436 NE ARG A 59 -22.053 -11.602 -8.581 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.219 -10.971 -8.368 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.266 -11.619 -7.860 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.332 -9.682 -8.669 1.00 0.00 N ATOM 0 H ARG A 59 -19.162 -17.144 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.437 -14.948 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.695 -15.483 -8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.060 -14.994 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.625 -12.712 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.156 -13.186 -9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.444 -13.664 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.914 -13.200 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.301 -11.053 -8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.189 -12.609 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.145 -11.125 -7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.536 -9.178 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.215 -9.197 -8.510 1.00 0.00 H new ATOM 453 N LEU A 60 -17.020 -15.080 -6.854 1.00 0.00 N ATOM 454 CA LEU A 60 -15.917 -14.544 -6.077 1.00 0.00 C ATOM 455 C LEU A 60 -14.677 -14.490 -6.962 1.00 0.00 C ATOM 456 O LEU A 60 -14.139 -13.405 -7.126 1.00 0.00 O ATOM 457 CB LEU A 60 -15.630 -15.323 -4.768 1.00 0.00 C ATOM 458 CG LEU A 60 -14.406 -14.695 -4.056 1.00 0.00 C ATOM 459 CD1 LEU A 60 -14.447 -13.183 -3.809 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.258 -15.354 -2.703 1.00 0.00 C ATOM 0 H LEU A 60 -17.432 -15.925 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.203 -13.543 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.501 -15.291 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.437 -16.372 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.577 -14.863 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.532 -12.872 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.532 -12.661 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.306 -12.940 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.401 -14.927 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.160 -15.185 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.106 -16.425 -2.835 1.00 0.00 H new ATOM 472 N GLN A 61 -14.263 -15.624 -7.554 1.00 0.00 N ATOM 473 CA GLN A 61 -13.135 -15.683 -8.489 1.00 0.00 C ATOM 474 C GLN A 61 -13.217 -14.563 -9.535 1.00 0.00 C ATOM 475 O GLN A 61 -12.222 -13.871 -9.751 1.00 0.00 O ATOM 476 CB GLN A 61 -13.058 -17.073 -9.163 1.00 0.00 C ATOM 477 CG GLN A 61 -12.150 -18.087 -8.442 1.00 0.00 C ATOM 478 CD GLN A 61 -10.706 -17.970 -8.946 1.00 0.00 C ATOM 479 OE1 GLN A 61 -10.117 -16.897 -8.905 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.092 -19.040 -9.432 1.00 0.00 N ATOM 0 H GLN A 61 -14.707 -16.528 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.218 -15.530 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.064 -17.487 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.700 -16.947 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.181 -17.911 -7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.519 -19.099 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.579 -19.935 -9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.132 -18.968 -9.770 1.00 0.00 H new ATOM 489 N GLY A 62 -14.389 -14.363 -10.149 1.00 0.00 N ATOM 490 CA GLY A 62 -14.588 -13.322 -11.150 1.00 0.00 C ATOM 491 C GLY A 62 -14.290 -11.927 -10.588 1.00 0.00 C ATOM 492 O GLY A 62 -13.385 -11.251 -11.078 1.00 0.00 O ATOM 0 H GLY A 62 -15.222 -14.921 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.943 -13.514 -12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.616 -13.356 -11.511 1.00 0.00 H new ATOM 496 N GLU A 63 -15.028 -11.491 -9.562 1.00 0.00 N ATOM 497 CA GLU A 63 -14.941 -10.117 -9.059 1.00 0.00 C ATOM 498 C GLU A 63 -13.575 -9.852 -8.410 1.00 0.00 C ATOM 499 O GLU A 63 -12.985 -8.778 -8.578 1.00 0.00 O ATOM 500 CB GLU A 63 -16.079 -9.854 -8.059 1.00 0.00 C ATOM 501 CG GLU A 63 -17.476 -9.919 -8.685 1.00 0.00 C ATOM 502 CD GLU A 63 -17.690 -8.808 -9.726 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.768 -7.623 -9.319 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.781 -9.112 -10.940 1.00 0.00 O ATOM 0 H GLU A 63 -15.697 -12.075 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.045 -9.432 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.018 -10.584 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.937 -8.871 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.617 -10.891 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.229 -9.833 -7.902 1.00 0.00 H new ATOM 511 N TYR A 64 -13.050 -10.856 -7.701 1.00 0.00 N ATOM 512 CA TYR A 64 -11.698 -10.854 -7.164 1.00 0.00 C ATOM 513 C TYR A 64 -10.716 -10.524 -8.280 1.00 0.00 C ATOM 514 O TYR A 64 -9.988 -9.538 -8.169 1.00 0.00 O ATOM 515 CB TYR A 64 -11.407 -12.214 -6.517 1.00 0.00 C ATOM 516 CG TYR A 64 -9.960 -12.452 -6.175 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.117 -13.032 -7.138 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.452 -12.097 -4.912 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.766 -13.239 -6.848 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.093 -12.320 -4.615 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.250 -12.889 -5.595 1.00 0.00 C ATOM 522 OH TYR A 64 -5.933 -13.098 -5.351 1.00 0.00 O ATOM 0 H TYR A 64 -13.569 -11.707 -7.483 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.590 -10.092 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.000 -12.302 -5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.741 -13.001 -7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.513 -13.318 -8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.102 -11.655 -4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.116 -13.671 -7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.698 -12.058 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.401 -12.720 -6.082 1.00 0.00 H new ATOM 532 N ARG A 65 -10.744 -11.286 -9.382 1.00 0.00 N ATOM 533 CA ARG A 65 -9.801 -11.100 -10.476 1.00 0.00 C ATOM 534 C ARG A 65 -10.012 -9.769 -11.177 1.00 0.00 C ATOM 535 O ARG A 65 -9.045 -9.254 -11.740 1.00 0.00 O ATOM 536 CB ARG A 65 -9.875 -12.300 -11.438 1.00 0.00 C ATOM 537 CG ARG A 65 -8.702 -12.400 -12.436 1.00 0.00 C ATOM 538 CD ARG A 65 -9.081 -12.159 -13.905 1.00 0.00 C ATOM 539 NE ARG A 65 -9.183 -10.729 -14.202 1.00 0.00 N ATOM 540 CZ ARG A 65 -9.443 -10.163 -15.389 1.00 0.00 C ATOM 541 NH1 ARG A 65 -9.694 -10.913 -16.462 1.00 0.00 N ATOM 542 NH2 ARG A 65 -9.449 -8.836 -15.494 1.00 0.00 N ATOM 0 H ARG A 65 -11.416 -12.039 -9.533 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.790 -11.063 -10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.914 -13.217 -10.851 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.808 -12.241 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.938 -11.677 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.253 -13.390 -12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.334 -12.615 -14.555 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.032 -12.646 -14.122 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.040 -10.092 -13.418 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.690 -11.930 -16.386 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.890 -10.470 -17.359 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.257 -8.259 -14.675 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.646 -8.396 -16.393 1.00 0.00 H new ATOM 556 N SER A 66 -11.215 -9.193 -11.171 1.00 0.00 N ATOM 557 CA SER A 66 -11.404 -7.839 -11.666 1.00 0.00 C ATOM 558 C SER A 66 -10.561 -6.845 -10.853 1.00 0.00 C ATOM 559 O SER A 66 -9.949 -5.956 -11.449 1.00 0.00 O ATOM 560 CB SER A 66 -12.886 -7.445 -11.657 1.00 0.00 C ATOM 561 OG SER A 66 -13.661 -8.385 -12.388 1.00 0.00 O ATOM 0 H SER A 66 -12.064 -9.643 -10.830 1.00 0.00 H new ATOM 0 HA SER A 66 -11.064 -7.807 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.246 -7.390 -10.630 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.006 -6.452 -12.091 1.00 0.00 H new ATOM 0 HG SER A 66 -13.648 -9.249 -11.926 1.00 0.00 H new ATOM 567 N LEU A 67 -10.493 -6.992 -9.518 1.00 0.00 N ATOM 568 CA LEU A 67 -9.680 -6.079 -8.702 1.00 0.00 C ATOM 569 C LEU A 67 -8.181 -6.420 -8.744 1.00 0.00 C ATOM 570 O LEU A 67 -7.372 -5.526 -9.002 1.00 0.00 O ATOM 571 CB LEU A 67 -10.189 -6.019 -7.250 1.00 0.00 C ATOM 572 CG LEU A 67 -9.441 -4.970 -6.391 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.525 -3.547 -6.957 1.00 0.00 C ATOM 574 CD2 LEU A 67 -10.015 -4.936 -4.971 1.00 0.00 C ATOM 0 H LEU A 67 -10.980 -7.718 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.792 -5.090 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.254 -5.786 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.079 -7.002 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.397 -5.282 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.980 -2.864 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.086 -3.526 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.569 -3.239 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.479 -4.194 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.072 -4.673 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.903 -5.917 -4.510 1.00 0.00 H new ATOM 586 N THR A 68 -7.787 -7.673 -8.491 1.00 0.00 N ATOM 587 CA THR A 68 -6.376 -8.041 -8.334 1.00 0.00 C ATOM 588 C THR A 68 -5.640 -8.144 -9.670 1.00 0.00 C ATOM 589 O THR A 68 -4.430 -7.896 -9.721 1.00 0.00 O ATOM 590 CB THR A 68 -6.271 -9.416 -7.657 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.159 -10.294 -8.311 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.601 -9.358 -6.170 1.00 0.00 C ATOM 0 H THR A 68 -8.433 -8.456 -8.390 1.00 0.00 H new ATOM 0 HA THR A 68 -5.919 -7.253 -7.736 1.00 0.00 H new ATOM 0 HB THR A 68 -5.242 -9.765 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.252 -11.116 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.512 -10.355 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.907 -8.683 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.620 -8.995 -6.037 1.00 0.00 H new ATOM 600 N GLY A 69 -6.350 -8.514 -10.745 1.00 0.00 N ATOM 601 CA GLY A 69 -5.717 -8.874 -11.999 1.00 0.00 C ATOM 602 C GLY A 69 -5.031 -10.245 -11.871 1.00 0.00 C ATOM 603 O GLY A 69 -4.127 -10.541 -12.656 1.00 0.00 O ATOM 0 H GLY A 69 -7.368 -8.569 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.461 -8.904 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.984 -8.116 -12.276 1.00 0.00 H new ATOM 607 N ASP A 70 -5.435 -11.083 -10.904 1.00 0.00 N ATOM 608 CA ASP A 70 -4.937 -12.448 -10.716 1.00 0.00 C ATOM 609 C ASP A 70 -6.110 -13.342 -10.333 1.00 0.00 C ATOM 610 O ASP A 70 -7.120 -12.840 -9.843 1.00 0.00 O ATOM 611 CB ASP A 70 -3.875 -12.504 -9.605 1.00 0.00 C ATOM 612 CG ASP A 70 -3.079 -13.828 -9.604 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.120 -14.597 -10.597 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.390 -14.098 -8.588 1.00 0.00 O ATOM 0 H ASP A 70 -6.137 -10.819 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.477 -12.787 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.184 -11.670 -9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.361 -12.377 -8.638 1.00 0.00 H new ATOM 619 N TRP A 71 -6.008 -14.652 -10.530 1.00 0.00 N ATOM 620 CA TRP A 71 -6.982 -15.599 -10.008 1.00 0.00 C ATOM 621 C TRP A 71 -6.599 -15.962 -8.572 1.00 0.00 C ATOM 622 O TRP A 71 -5.453 -15.770 -8.147 1.00 0.00 O ATOM 623 CB TRP A 71 -7.044 -16.831 -10.916 1.00 0.00 C ATOM 624 CG TRP A 71 -7.427 -16.504 -12.327 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.611 -16.588 -13.400 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.708 -16.024 -12.844 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.290 -16.191 -14.534 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.579 -15.796 -14.247 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.945 -15.681 -12.255 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.623 -15.263 -15.020 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.998 -15.151 -13.023 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.852 -14.970 -14.408 1.00 0.00 C ATOM 0 H TRP A 71 -5.248 -15.085 -11.055 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.978 -15.156 -9.993 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.072 -17.325 -10.915 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.763 -17.541 -10.506 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.582 -16.916 -13.374 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.887 -16.190 -15.471 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.085 -15.828 -11.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.482 -15.080 -16.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.927 -14.881 -12.543 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.680 -14.608 -14.999 1.00 0.00 H new ATOM 643 N ILE A 72 -7.568 -16.472 -7.809 1.00 0.00 N ATOM 644 CA ILE A 72 -7.402 -16.838 -6.404 1.00 0.00 C ATOM 645 C ILE A 72 -6.224 -17.825 -6.312 1.00 0.00 C ATOM 646 O ILE A 72 -6.219 -18.832 -7.032 1.00 0.00 O ATOM 647 CB ILE A 72 -8.720 -17.452 -5.873 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.854 -16.401 -5.747 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.499 -18.223 -4.561 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.869 -15.579 -4.457 1.00 0.00 C ATOM 0 H ILE A 72 -8.510 -16.645 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.181 -15.968 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.053 -18.174 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.781 -15.715 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.811 -16.916 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.447 -18.639 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.787 -19.031 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.106 -17.546 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.704 -14.879 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.980 -16.246 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.934 -15.026 -4.367 1.00 0.00 H new ATOM 662 N PRO A 73 -5.253 -17.606 -5.412 1.00 0.00 N ATOM 663 CA PRO A 73 -4.065 -18.438 -5.303 1.00 0.00 C ATOM 664 C PRO A 73 -4.332 -19.675 -4.420 1.00 0.00 C ATOM 665 O PRO A 73 -3.490 -20.014 -3.594 1.00 0.00 O ATOM 666 CB PRO A 73 -2.999 -17.493 -4.731 1.00 0.00 C ATOM 667 CG PRO A 73 -3.819 -16.674 -3.747 1.00 0.00 C ATOM 668 CD PRO A 73 -5.126 -16.462 -4.512 1.00 0.00 C ATOM 0 HA PRO A 73 -3.742 -18.860 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.191 -18.035 -4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.544 -16.872 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.978 -17.205 -2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.334 -15.730 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.974 -16.406 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.104 -15.526 -5.070 1.00 0.00 H new ATOM 676 N PHE A 74 -5.502 -20.319 -4.508 1.00 0.00 N ATOM 677 CA PHE A 74 -5.899 -21.367 -3.560 1.00 0.00 C ATOM 678 C PHE A 74 -4.888 -22.513 -3.576 1.00 0.00 C ATOM 679 O PHE A 74 -4.183 -22.740 -2.593 1.00 0.00 O ATOM 680 CB PHE A 74 -7.354 -21.836 -3.794 1.00 0.00 C ATOM 681 CG PHE A 74 -7.629 -22.607 -5.072 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.785 -21.946 -6.305 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.728 -24.009 -5.023 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.052 -22.678 -7.474 1.00 0.00 C ATOM 685 CE2 PHE A 74 -8.012 -24.742 -6.186 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.172 -24.078 -7.417 1.00 0.00 C ATOM 0 H PHE A 74 -6.195 -20.131 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.888 -20.945 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.649 -22.460 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.000 -20.958 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.699 -20.870 -6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.585 -24.525 -4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.165 -22.165 -8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.108 -25.817 -6.136 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.386 -24.641 -8.313 1.00 0.00 H new ATOM 696 N LYS A 75 -4.740 -23.179 -4.719 1.00 0.00 N ATOM 697 CA LYS A 75 -3.877 -24.342 -4.876 1.00 0.00 C ATOM 698 C LYS A 75 -2.402 -23.932 -4.821 1.00 0.00 C ATOM 699 O LYS A 75 -1.546 -24.722 -4.425 1.00 0.00 O ATOM 700 CB LYS A 75 -4.255 -25.002 -6.209 1.00 0.00 C ATOM 701 CG LYS A 75 -3.740 -26.444 -6.315 1.00 0.00 C ATOM 702 CD LYS A 75 -4.259 -27.112 -7.598 1.00 0.00 C ATOM 703 CE LYS A 75 -3.703 -28.542 -7.713 1.00 0.00 C ATOM 704 NZ LYS A 75 -4.167 -29.233 -8.950 1.00 0.00 N ATOM 0 H LYS A 75 -5.227 -22.919 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.016 -25.055 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.339 -24.997 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.849 -24.413 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.650 -26.447 -6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.063 -27.016 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.349 -27.137 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.961 -26.527 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.614 -28.507 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.009 -29.119 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.767 -30.192 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.205 -29.291 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.853 -28.698 -9.785 1.00 0.00 H new ATOM 718 N GLN A 76 -2.122 -22.686 -5.202 1.00 0.00 N ATOM 719 CA GLN A 76 -0.806 -22.086 -5.288 1.00 0.00 C ATOM 720 C GLN A 76 -0.263 -21.848 -3.866 1.00 0.00 C ATOM 721 O GLN A 76 0.906 -22.136 -3.605 1.00 0.00 O ATOM 722 CB GLN A 76 -0.899 -20.779 -6.113 1.00 0.00 C ATOM 723 CG GLN A 76 -1.490 -20.922 -7.545 1.00 0.00 C ATOM 724 CD GLN A 76 -3.021 -20.755 -7.641 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.783 -21.340 -6.883 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.536 -19.953 -8.560 1.00 0.00 N ATOM 0 H GLN A 76 -2.859 -22.035 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.107 -22.749 -5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.508 -20.065 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.100 -20.351 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.018 -20.182 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.222 -21.904 -7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.922 -19.454 -9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.547 -19.834 -8.624 1.00 0.00 H new ATOM 735 N LEU A 77 -1.108 -21.378 -2.935 1.00 0.00 N ATOM 736 CA LEU A 77 -0.792 -21.269 -1.510 1.00 0.00 C ATOM 737 C LEU A 77 -0.891 -22.635 -0.814 1.00 0.00 C ATOM 738 O LEU A 77 -0.198 -22.845 0.184 1.00 0.00 O ATOM 739 CB LEU A 77 -1.695 -20.239 -0.818 1.00 0.00 C ATOM 740 CG LEU A 77 -1.429 -18.771 -1.223 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.462 -17.845 -0.572 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.030 -18.269 -0.835 1.00 0.00 C ATOM 0 H LEU A 77 -2.049 -21.057 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 77 0.238 -20.922 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.735 -20.480 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.569 -20.332 0.261 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.504 -18.750 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.263 -16.814 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.462 -18.129 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.397 -17.932 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.085 -17.232 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.093 -18.335 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.726 -18.883 -1.325 1.00 0.00 H new ATOM 754 N GLY A 78 -1.695 -23.569 -1.341 1.00 0.00 N ATOM 755 CA GLY A 78 -1.732 -24.966 -0.911 1.00 0.00 C ATOM 756 C GLY A 78 -3.076 -25.388 -0.306 1.00 0.00 C ATOM 757 O GLY A 78 -3.168 -26.476 0.269 1.00 0.00 O ATOM 0 H GLY A 78 -2.351 -23.365 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.511 -25.606 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.944 -25.132 -0.176 1.00 0.00 H new ATOM 761 N TYR A 79 -4.115 -24.558 -0.436 1.00 0.00 N ATOM 762 CA TYR A 79 -5.480 -24.896 -0.050 1.00 0.00 C ATOM 763 C TYR A 79 -6.070 -25.763 -1.165 1.00 0.00 C ATOM 764 O TYR A 79 -5.847 -25.446 -2.337 1.00 0.00 O ATOM 765 CB TYR A 79 -6.298 -23.612 0.101 1.00 0.00 C ATOM 766 CG TYR A 79 -5.648 -22.627 1.041 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.743 -22.821 2.430 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.940 -21.524 0.533 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.111 -21.933 3.311 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.313 -20.625 1.406 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.386 -20.828 2.804 1.00 0.00 C ATOM 772 OH TYR A 79 -3.757 -19.955 3.642 1.00 0.00 O ATOM 0 H TYR A 79 -4.025 -23.617 -0.819 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.497 -25.432 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.426 -23.148 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.294 -23.859 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.305 -23.657 2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.879 -21.369 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.177 -22.092 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.774 -19.777 1.011 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.309 -19.260 3.115 1.00 0.00 H new ATOM 782 N PRO A 80 -6.832 -26.825 -0.866 1.00 0.00 N ATOM 783 CA PRO A 80 -7.282 -27.740 -1.900 1.00 0.00 C ATOM 784 C PRO A 80 -8.328 -27.125 -2.838 1.00 0.00 C ATOM 785 O PRO A 80 -8.413 -27.547 -3.995 1.00 0.00 O ATOM 786 CB PRO A 80 -7.839 -28.956 -1.152 1.00 0.00 C ATOM 787 CG PRO A 80 -8.276 -28.372 0.192 1.00 0.00 C ATOM 788 CD PRO A 80 -7.183 -27.331 0.450 1.00 0.00 C ATOM 0 HA PRO A 80 -6.457 -28.007 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.675 -29.408 -1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.084 -29.732 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.267 -27.920 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.312 -29.130 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.543 -26.532 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.321 -27.778 0.945 1.00 0.00 H new ATOM 796 N THR A 81 -9.114 -26.149 -2.369 1.00 0.00 N ATOM 797 CA THR A 81 -10.273 -25.640 -3.086 1.00 0.00 C ATOM 798 C THR A 81 -10.413 -24.138 -2.842 1.00 0.00 C ATOM 799 O THR A 81 -9.804 -23.594 -1.913 1.00 0.00 O ATOM 800 CB THR A 81 -11.512 -26.407 -2.574 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.510 -26.358 -1.155 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.530 -27.875 -3.000 1.00 0.00 C ATOM 0 H THR A 81 -8.956 -25.691 -1.472 1.00 0.00 H new ATOM 0 HA THR A 81 -10.167 -25.789 -4.161 1.00 0.00 H new ATOM 0 HB THR A 81 -12.392 -25.930 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.194 -26.967 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.426 -28.357 -2.608 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.531 -27.938 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.646 -28.378 -2.608 1.00 0.00 H new ATOM 810 N LEU A 82 -11.256 -23.475 -3.651 1.00 0.00 N ATOM 811 CA LEU A 82 -11.619 -22.074 -3.432 1.00 0.00 C ATOM 812 C LEU A 82 -12.260 -21.955 -2.061 1.00 0.00 C ATOM 813 O LEU A 82 -11.902 -21.058 -1.313 1.00 0.00 O ATOM 814 CB LEU A 82 -12.596 -21.543 -4.515 1.00 0.00 C ATOM 815 CG LEU A 82 -12.047 -21.299 -5.933 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.888 -20.303 -5.905 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.600 -22.571 -6.656 1.00 0.00 C ATOM 0 H LEU A 82 -11.699 -23.895 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.714 -21.470 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.421 -22.250 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.015 -20.604 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.886 -20.890 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.517 -20.147 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.234 -19.354 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.085 -20.696 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.227 -22.314 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.808 -23.055 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.446 -23.251 -6.752 1.00 0.00 H new ATOM 829 N GLU A 83 -13.167 -22.872 -1.700 1.00 0.00 N ATOM 830 CA GLU A 83 -13.798 -22.823 -0.387 1.00 0.00 C ATOM 831 C GLU A 83 -12.735 -22.908 0.703 1.00 0.00 C ATOM 832 O GLU A 83 -12.767 -22.081 1.599 1.00 0.00 O ATOM 833 CB GLU A 83 -14.932 -23.857 -0.230 1.00 0.00 C ATOM 834 CG GLU A 83 -14.486 -25.318 -0.114 1.00 0.00 C ATOM 835 CD GLU A 83 -15.682 -26.271 0.058 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.305 -26.675 -0.953 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.999 -26.622 1.219 1.00 0.00 O ATOM 0 H GLU A 83 -13.473 -23.644 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.298 -21.861 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.512 -23.602 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.602 -23.767 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.924 -25.598 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.811 -25.425 0.735 1.00 0.00 H new ATOM 844 N ALA A 84 -11.763 -23.827 0.627 1.00 0.00 N ATOM 845 CA ALA A 84 -10.769 -24.012 1.688 1.00 0.00 C ATOM 846 C ALA A 84 -9.901 -22.766 1.875 1.00 0.00 C ATOM 847 O ALA A 84 -9.626 -22.369 3.009 1.00 0.00 O ATOM 848 CB ALA A 84 -9.911 -25.238 1.385 1.00 0.00 C ATOM 0 H ALA A 84 -11.645 -24.458 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.298 -24.173 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.174 -25.371 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.546 -26.122 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.399 -25.098 0.433 1.00 0.00 H new ATOM 854 N TYR A 85 -9.520 -22.111 0.777 1.00 0.00 N ATOM 855 CA TYR A 85 -8.848 -20.817 0.827 1.00 0.00 C ATOM 856 C TYR A 85 -9.695 -19.813 1.625 1.00 0.00 C ATOM 857 O TYR A 85 -9.185 -19.170 2.541 1.00 0.00 O ATOM 858 CB TYR A 85 -8.561 -20.352 -0.608 1.00 0.00 C ATOM 859 CG TYR A 85 -8.148 -18.902 -0.723 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.848 -18.505 -0.367 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.074 -17.948 -1.182 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.463 -17.159 -0.473 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.703 -16.598 -1.277 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.385 -16.197 -0.946 1.00 0.00 C ATOM 865 OH TYR A 85 -6.994 -14.893 -1.084 1.00 0.00 O ATOM 0 H TYR A 85 -9.669 -22.464 -0.168 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.894 -20.897 1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.773 -20.976 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.452 -20.513 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.141 -19.239 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.071 -18.255 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.464 -16.859 -0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.424 -15.863 -1.603 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.745 -14.360 -1.421 1.00 0.00 H new ATOM 875 N LEU A 86 -11.002 -19.728 1.349 1.00 0.00 N ATOM 876 CA LEU A 86 -11.913 -18.798 2.027 1.00 0.00 C ATOM 877 C LEU A 86 -12.199 -19.200 3.486 1.00 0.00 C ATOM 878 O LEU A 86 -12.324 -18.324 4.338 1.00 0.00 O ATOM 879 CB LEU A 86 -13.202 -18.666 1.195 1.00 0.00 C ATOM 880 CG LEU A 86 -12.917 -18.234 -0.256 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.093 -18.566 -1.167 1.00 0.00 C ATOM 882 CD2 LEU A 86 -12.505 -16.766 -0.338 1.00 0.00 C ATOM 0 H LEU A 86 -11.460 -20.306 0.645 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.429 -17.824 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.729 -19.620 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.863 -17.938 1.666 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.064 -18.809 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.865 -18.250 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.273 -19.641 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.984 -18.044 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.313 -16.500 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -13.307 -16.141 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.601 -16.608 0.250 1.00 0.00 H new ATOM 894 N ARG A 87 -12.245 -20.502 3.801 1.00 0.00 N ATOM 895 CA ARG A 87 -12.291 -20.995 5.195 1.00 0.00 C ATOM 896 C ARG A 87 -11.088 -20.451 5.975 1.00 0.00 C ATOM 897 O ARG A 87 -11.214 -20.172 7.164 1.00 0.00 O ATOM 898 CB ARG A 87 -12.249 -22.541 5.316 1.00 0.00 C ATOM 899 CG ARG A 87 -13.572 -23.330 5.259 1.00 0.00 C ATOM 900 CD ARG A 87 -14.119 -23.465 3.836 1.00 0.00 C ATOM 901 NE ARG A 87 -15.034 -24.604 3.608 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.212 -24.887 4.189 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.675 -24.195 5.230 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.930 -25.888 3.702 1.00 0.00 N ATOM 0 H ARG A 87 -12.252 -21.245 3.103 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.243 -20.647 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.607 -22.916 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.761 -22.784 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.416 -24.323 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.314 -22.832 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.643 -22.544 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.277 -23.555 3.150 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.725 -25.275 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.130 -23.422 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.574 -24.439 5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.585 -26.423 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.828 -26.124 4.124 1.00 0.00 H new ATOM 918 N SER A 88 -9.932 -20.328 5.319 1.00 0.00 N ATOM 919 CA SER A 88 -8.650 -20.034 5.950 1.00 0.00 C ATOM 920 C SER A 88 -8.399 -18.532 6.205 1.00 0.00 C ATOM 921 O SER A 88 -7.277 -18.161 6.554 1.00 0.00 O ATOM 922 CB SER A 88 -7.539 -20.696 5.130 1.00 0.00 C ATOM 923 OG SER A 88 -7.792 -22.091 5.023 1.00 0.00 O ATOM 0 H SER A 88 -9.863 -20.434 4.307 1.00 0.00 H new ATOM 0 HA SER A 88 -8.662 -20.458 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.489 -20.248 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.573 -20.527 5.605 1.00 0.00 H new ATOM 0 HG SER A 88 -8.448 -22.251 4.313 1.00 0.00 H new ATOM 929 N VAL A 89 -9.413 -17.660 6.069 1.00 0.00 N ATOM 930 CA VAL A 89 -9.303 -16.218 6.335 1.00 0.00 C ATOM 931 C VAL A 89 -10.428 -15.730 7.288 1.00 0.00 C ATOM 932 O VAL A 89 -11.022 -14.674 7.063 1.00 0.00 O ATOM 933 CB VAL A 89 -9.146 -15.492 4.964 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.243 -15.854 3.953 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.975 -13.968 5.041 1.00 0.00 C ATOM 0 H VAL A 89 -10.345 -17.943 5.767 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.410 -15.961 6.906 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.197 -15.884 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.072 -15.314 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.220 -16.926 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.217 -15.579 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.874 -13.562 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.847 -13.528 5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.082 -13.731 5.619 1.00 0.00 H new ATOM 945 N PRO A 90 -10.758 -16.443 8.388 1.00 0.00 N ATOM 946 CA PRO A 90 -11.943 -16.137 9.189 1.00 0.00 C ATOM 947 C PRO A 90 -11.843 -14.816 9.977 1.00 0.00 C ATOM 948 O PRO A 90 -12.859 -14.296 10.441 1.00 0.00 O ATOM 949 CB PRO A 90 -12.116 -17.344 10.119 1.00 0.00 C ATOM 950 CG PRO A 90 -10.687 -17.827 10.341 1.00 0.00 C ATOM 951 CD PRO A 90 -10.003 -17.528 9.010 1.00 0.00 C ATOM 0 HA PRO A 90 -12.807 -15.979 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.595 -17.063 11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.735 -18.117 9.663 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.208 -17.300 11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.654 -18.890 10.580 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.964 -17.238 9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.996 -18.411 8.371 1.00 0.00 H new ATOM 959 N ALA A 91 -10.634 -14.251 10.126 1.00 0.00 N ATOM 960 CA ALA A 91 -10.424 -12.992 10.839 1.00 0.00 C ATOM 961 C ALA A 91 -10.693 -11.759 9.964 1.00 0.00 C ATOM 962 O ALA A 91 -10.697 -10.643 10.485 1.00 0.00 O ATOM 963 CB ALA A 91 -8.991 -12.957 11.386 1.00 0.00 C ATOM 0 H ALA A 91 -9.777 -14.659 9.753 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.142 -12.951 11.658 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.828 -12.020 11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.842 -13.794 12.068 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.284 -13.032 10.560 1.00 0.00 H new ATOM 969 N VAL A 92 -10.909 -11.937 8.654 1.00 0.00 N ATOM 970 CA VAL A 92 -11.048 -10.829 7.700 1.00 0.00 C ATOM 971 C VAL A 92 -12.239 -11.068 6.758 1.00 0.00 C ATOM 972 O VAL A 92 -12.805 -10.119 6.216 1.00 0.00 O ATOM 973 CB VAL A 92 -9.720 -10.634 6.929 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.702 -9.324 6.132 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.475 -10.629 7.835 1.00 0.00 C ATOM 0 H VAL A 92 -10.993 -12.858 8.224 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.257 -9.907 8.243 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.676 -11.495 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.751 -9.230 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.517 -9.327 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.825 -8.482 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.582 -10.488 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.554 -9.816 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.407 -11.579 8.365 1.00 0.00 H new ATOM 985 N VAL A 93 -12.668 -12.317 6.592 1.00 0.00 N ATOM 986 CA VAL A 93 -13.669 -12.764 5.630 1.00 0.00 C ATOM 987 C VAL A 93 -14.600 -13.740 6.370 1.00 0.00 C ATOM 988 O VAL A 93 -14.291 -14.231 7.457 1.00 0.00 O ATOM 989 CB VAL A 93 -12.910 -13.375 4.423 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.730 -14.201 3.416 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.156 -12.273 3.655 1.00 0.00 C ATOM 0 H VAL A 93 -12.306 -13.085 7.157 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.298 -11.968 5.230 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.241 -14.095 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.074 -14.566 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.188 -15.047 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.509 -13.575 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.627 -12.715 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.867 -11.532 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.439 -11.792 4.320 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.768 -13.996 5.788 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.855 -14.783 6.363 1.00 0.00 C ATOM 1003 C ARG A 94 -17.489 -15.549 5.213 1.00 0.00 C ATOM 1004 O ARG A 94 -17.428 -15.080 4.080 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.828 -13.805 7.046 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.074 -14.467 7.661 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.020 -13.421 8.260 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.866 -12.773 7.235 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.091 -13.181 6.868 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.603 -14.309 7.343 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.815 -12.462 6.020 1.00 0.00 N ATOM 0 H ARG A 94 -15.993 -13.643 4.858 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.530 -15.499 7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.293 -13.269 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.150 -13.063 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.599 -15.040 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.770 -15.171 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.657 -13.896 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.435 -12.661 8.778 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.488 -11.948 6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.064 -14.878 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.535 -14.607 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -22.442 -11.592 5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.745 -12.780 5.747 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.112 -16.691 5.470 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.736 -17.503 4.428 1.00 0.00 C ATOM 1027 C ILE A 95 -20.021 -18.137 4.970 1.00 0.00 C ATOM 1028 O ILE A 95 -20.139 -18.391 6.171 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.734 -18.557 3.881 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.204 -19.515 4.966 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.556 -17.883 3.150 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.207 -20.560 4.455 1.00 0.00 C ATOM 0 H ILE A 95 -18.200 -17.083 6.407 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.011 -16.870 3.584 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.299 -19.160 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.726 -18.928 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.049 -20.030 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.873 -18.647 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.935 -17.297 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.026 -17.227 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.885 -21.192 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.684 -21.176 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.341 -20.057 4.025 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.960 -18.427 4.068 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.168 -19.200 4.325 1.00 0.00 C ATOM 1046 C GLU A 96 -22.235 -20.285 3.246 1.00 0.00 C ATOM 1047 O GLU A 96 -22.529 -19.995 2.084 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.425 -18.309 4.290 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.507 -17.321 5.463 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.809 -16.489 5.490 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.827 -16.868 4.860 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -24.816 -15.430 6.163 1.00 0.00 O ATOM 0 H GLU A 96 -20.893 -18.115 3.099 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.135 -19.641 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.440 -17.751 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.311 -18.944 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.421 -17.874 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.655 -16.643 5.415 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.915 -21.527 3.611 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.140 -22.682 2.751 1.00 0.00 C ATOM 1061 C ALA A 97 -23.635 -23.011 2.808 1.00 0.00 C ATOM 1062 O ALA A 97 -24.186 -23.245 3.887 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.285 -23.862 3.227 1.00 0.00 C ATOM 0 H ALA A 97 -21.493 -21.757 4.511 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.850 -22.471 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.458 -24.722 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.231 -23.586 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.557 -24.118 4.251 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.338 -22.000 -1.798 1.00 0.00 N ATOM 1138 CA ILE A 103 -20.920 -21.183 -0.672 1.00 0.00 C ATOM 1139 C ILE A 103 -20.901 -19.747 -1.145 1.00 0.00 C ATOM 1140 O ILE A 103 -20.437 -19.465 -2.250 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.610 -21.706 -0.019 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -18.965 -20.704 0.963 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.547 -22.298 -0.952 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.004 -19.686 0.325 1.00 0.00 C ATOM 0 HA ILE A 103 -21.625 -21.246 0.157 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.992 -22.560 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.759 -20.159 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.422 -21.264 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.688 -22.623 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -18.966 -23.151 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.231 -21.541 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.605 -19.029 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.184 -20.215 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.541 -19.092 -0.414 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.423 -18.860 -0.308 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.515 -17.427 -0.526 1.00 0.00 C ATOM 1158 C VAL A 104 -20.482 -16.796 0.404 1.00 0.00 C ATOM 1159 O VAL A 104 -20.336 -17.228 1.549 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.956 -16.942 -0.225 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.171 -15.540 -0.819 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.043 -17.890 -0.768 1.00 0.00 C ATOM 0 H VAL A 104 -21.815 -19.140 0.591 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.310 -17.145 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.054 -16.923 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.186 -15.205 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.458 -14.844 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.022 -15.575 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.028 -17.492 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.944 -17.975 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.927 -18.875 -0.315 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.743 -15.810 -0.092 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.596 -15.230 0.591 1.00 0.00 C ATOM 1174 C CYS A 105 -18.944 -13.804 1.001 1.00 0.00 C ATOM 1175 O CYS A 105 -19.613 -13.109 0.237 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.384 -15.236 -0.360 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.296 -16.775 -1.329 1.00 0.00 S ATOM 0 H CYS A 105 -19.930 -15.384 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.346 -15.810 1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.448 -14.383 -1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.467 -15.117 0.218 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.185 -16.742 -2.277 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.423 -13.354 2.147 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.708 -12.059 2.763 1.00 0.00 C ATOM 1185 C TYR A 106 -17.449 -11.504 3.427 1.00 0.00 C ATOM 1186 O TYR A 106 -16.491 -12.238 3.663 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.778 -12.255 3.836 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.122 -12.673 3.306 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.930 -11.715 2.668 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.560 -14.004 3.454 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.212 -12.074 2.227 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.822 -14.380 2.967 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.664 -13.409 2.367 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.911 -13.739 1.922 1.00 0.00 O ATOM 0 H TYR A 106 -17.763 -13.908 2.692 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.049 -11.363 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.431 -13.007 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.894 -11.324 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.566 -10.709 2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.927 -14.732 3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.856 -11.331 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.151 -15.406 3.049 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.076 -14.691 2.087 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.450 -10.212 3.755 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.339 -9.581 4.469 1.00 0.00 C ATOM 1206 C ALA A 107 -16.539 -9.708 5.982 1.00 0.00 C ATOM 1207 O ALA A 107 -17.639 -10.020 6.444 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.257 -8.099 4.089 1.00 0.00 C ATOM 0 H ALA A 107 -18.216 -9.576 3.535 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.413 -10.083 4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.429 -7.632 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.095 -8.007 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.189 -7.602 4.359 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.490 -9.389 6.738 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.555 -9.241 8.200 1.00 0.00 C ATOM 1216 C VAL A 108 -14.664 -8.103 8.732 1.00 0.00 C ATOM 1217 O VAL A 108 -15.014 -7.513 9.759 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.283 -10.620 8.871 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.161 -10.667 9.917 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.559 -11.154 9.535 1.00 0.00 C ATOM 0 H VAL A 108 -14.560 -9.223 6.354 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.562 -8.929 8.475 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.948 -11.238 8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.071 -11.680 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.219 -10.372 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.395 -9.982 10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.352 -12.118 9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.895 -10.450 10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.338 -11.274 8.782 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.569 -7.742 8.052 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.693 -6.624 8.413 1.00 0.00 C ATOM 1232 C ALA A 109 -12.141 -6.004 7.127 1.00 0.00 C ATOM 1233 O ALA A 109 -11.095 -5.316 7.167 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.578 -7.110 9.355 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.785 -6.204 6.074 1.00 0.00 O ATOM 0 H ALA A 109 -13.261 -8.234 7.213 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.248 -5.857 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.932 -6.272 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.021 -7.524 10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.989 -7.879 8.855 1.00 0.00 H new