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 Single : A 41 SER OG : rot 84:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.2) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.974 K(o=0.97,f=-0.46) USER MOD Single : A 50 SER OG : rot 76:sc= 0.00684 USER MOD Single : A 51 HIS : no HD1:sc= 0.316 K(o=0.32,f=-3!) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 1.04 (180deg=0.735) USER MOD Single : A 53 ASN : amide:sc= 0.348 X(o=0.35,f=-0.041) USER MOD Single : A 61 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 64 TYR OH : rot 50:sc= -0.282 USER MOD Single : A 66 SER OG : rot 65:sc= 0.131 USER MOD Single : A 68 THR OG1 : rot -163:sc= 0.151 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.746 K(o=-0.75,f=-9.9!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 88 SER OG : rot 82:sc= 1.25 USER MOD Single : A 105 CYS SG : rot 75:sc= -1.52! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.990 -7.570 -0.529 1.00 0.00 N ATOM 45 CA LEU A 35 3.494 -8.933 -0.734 1.00 0.00 C ATOM 46 C LEU A 35 2.366 -9.778 -1.337 1.00 0.00 C ATOM 47 O LEU A 35 1.215 -9.355 -1.288 1.00 0.00 O ATOM 48 CB LEU A 35 3.967 -9.545 0.601 1.00 0.00 C ATOM 49 CG LEU A 35 5.123 -8.787 1.290 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.484 -9.486 2.608 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.371 -8.692 0.405 1.00 0.00 C ATOM 0 HA LEU A 35 4.349 -8.912 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.120 -9.586 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.282 -10.573 0.421 1.00 0.00 H new ATOM 0 HG LEU A 35 4.777 -7.771 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.300 -8.950 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.614 -9.495 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.794 -10.511 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.153 -8.150 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.724 -9.695 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.125 -8.163 -0.516 1.00 0.00 H new ATOM 63 N GLU A 36 2.650 -10.974 -1.867 1.00 0.00 N ATOM 64 CA GLU A 36 1.638 -11.749 -2.591 1.00 0.00 C ATOM 65 C GLU A 36 0.439 -12.053 -1.702 1.00 0.00 C ATOM 66 O GLU A 36 -0.678 -11.654 -2.022 1.00 0.00 O ATOM 67 CB GLU A 36 2.246 -13.024 -3.195 1.00 0.00 C ATOM 68 CG GLU A 36 1.229 -13.848 -3.999 1.00 0.00 C ATOM 69 CD GLU A 36 1.924 -15.014 -4.727 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.367 -14.834 -5.889 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.030 -16.121 -4.145 1.00 0.00 O ATOM 0 H GLU A 36 3.564 -11.422 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 36 1.276 -11.142 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.079 -12.752 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.654 -13.641 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.460 -14.237 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.727 -13.208 -4.724 1.00 0.00 H new ATOM 78 N ALA A 37 0.671 -12.709 -0.565 1.00 0.00 N ATOM 79 CA ALA A 37 -0.427 -13.128 0.297 1.00 0.00 C ATOM 80 C ALA A 37 -1.147 -11.917 0.906 1.00 0.00 C ATOM 81 O ALA A 37 -2.357 -11.966 1.138 1.00 0.00 O ATOM 82 CB ALA A 37 0.039 -14.100 1.380 1.00 0.00 C ATOM 0 H ALA A 37 1.600 -12.958 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.143 -13.663 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.810 -14.388 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.465 -14.988 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.795 -13.619 2.000 1.00 0.00 H new ATOM 88 N ASP A 38 -0.424 -10.818 1.132 1.00 0.00 N ATOM 89 CA ASP A 38 -0.999 -9.583 1.656 1.00 0.00 C ATOM 90 C ASP A 38 -1.903 -8.923 0.613 1.00 0.00 C ATOM 91 O ASP A 38 -3.015 -8.505 0.931 1.00 0.00 O ATOM 92 CB ASP A 38 0.131 -8.637 2.069 1.00 0.00 C ATOM 93 CG ASP A 38 -0.410 -7.362 2.720 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.053 -7.455 3.792 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.189 -6.257 2.170 1.00 0.00 O ATOM 0 H ASP A 38 0.579 -10.762 0.955 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.611 -9.813 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.797 -9.147 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.725 -8.375 1.193 1.00 0.00 H new ATOM 100 N LEU A 39 -1.462 -8.889 -0.649 1.00 0.00 N ATOM 101 CA LEU A 39 -2.194 -8.305 -1.768 1.00 0.00 C ATOM 102 C LEU A 39 -3.510 -9.030 -1.945 1.00 0.00 C ATOM 103 O LEU A 39 -4.563 -8.392 -1.964 1.00 0.00 O ATOM 104 CB LEU A 39 -1.356 -8.387 -3.063 1.00 0.00 C ATOM 105 CG LEU A 39 -2.085 -7.859 -4.327 1.00 0.00 C ATOM 106 CD1 LEU A 39 -1.099 -7.098 -5.221 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.730 -8.975 -5.164 1.00 0.00 C ATOM 0 H LEU A 39 -0.560 -9.279 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.390 -7.254 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.436 -7.819 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.067 -9.425 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.880 -7.205 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.619 -6.731 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.683 -6.255 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.293 -7.766 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.223 -8.539 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.961 -9.672 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.464 -9.506 -4.558 1.00 0.00 H new ATOM 119 N VAL A 40 -3.448 -10.355 -2.071 1.00 0.00 N ATOM 120 CA VAL A 40 -4.633 -11.143 -2.368 1.00 0.00 C ATOM 121 C VAL A 40 -5.615 -11.026 -1.202 1.00 0.00 C ATOM 122 O VAL A 40 -6.797 -10.810 -1.445 1.00 0.00 O ATOM 123 CB VAL A 40 -4.238 -12.586 -2.762 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.289 -12.564 -3.976 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.595 -13.363 -1.612 1.00 0.00 C ATOM 0 H VAL A 40 -2.591 -10.899 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.158 -10.758 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.161 -13.105 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.018 -13.585 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.788 -12.088 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.389 -12.004 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.340 -14.368 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.691 -12.849 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.296 -13.427 -0.779 1.00 0.00 H new ATOM 135 N SER A 41 -5.141 -11.035 0.049 1.00 0.00 N ATOM 136 CA SER A 41 -6.011 -10.887 1.215 1.00 0.00 C ATOM 137 C SER A 41 -6.671 -9.506 1.256 1.00 0.00 C ATOM 138 O SER A 41 -7.884 -9.427 1.434 1.00 0.00 O ATOM 139 CB SER A 41 -5.226 -11.165 2.502 1.00 0.00 C ATOM 140 OG SER A 41 -4.666 -12.467 2.474 1.00 0.00 O ATOM 0 H SER A 41 -4.153 -11.144 0.278 1.00 0.00 H new ATOM 0 HA SER A 41 -6.812 -11.621 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.434 -10.425 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.885 -11.065 3.365 1.00 0.00 H new ATOM 0 HG SER A 41 -3.812 -12.446 1.993 1.00 0.00 H new ATOM 146 N LYS A 42 -5.925 -8.411 1.048 1.00 0.00 N ATOM 147 CA LYS A 42 -6.497 -7.056 1.073 1.00 0.00 C ATOM 148 C LYS A 42 -7.497 -6.875 -0.059 1.00 0.00 C ATOM 149 O LYS A 42 -8.591 -6.369 0.175 1.00 0.00 O ATOM 150 CB LYS A 42 -5.377 -6.006 0.986 1.00 0.00 C ATOM 151 CG LYS A 42 -4.701 -5.827 2.350 1.00 0.00 C ATOM 152 CD LYS A 42 -3.468 -4.922 2.237 1.00 0.00 C ATOM 153 CE LYS A 42 -2.852 -4.701 3.628 1.00 0.00 C ATOM 154 NZ LYS A 42 -1.463 -4.183 3.540 1.00 0.00 N ATOM 0 H LYS A 42 -4.923 -8.437 0.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.027 -6.918 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.639 -6.314 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.788 -5.054 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.409 -5.396 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.408 -6.800 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.733 -5.376 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.748 -3.965 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.467 -3.998 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.855 -5.641 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.041 -4.159 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.899 -4.805 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.475 -3.222 3.142 1.00 0.00 H new ATOM 168 N MET A 43 -7.166 -7.298 -1.279 1.00 0.00 N ATOM 169 CA MET A 43 -8.064 -7.106 -2.413 1.00 0.00 C ATOM 170 C MET A 43 -9.303 -8.003 -2.284 1.00 0.00 C ATOM 171 O MET A 43 -10.410 -7.532 -2.526 1.00 0.00 O ATOM 172 CB MET A 43 -7.296 -7.281 -3.731 1.00 0.00 C ATOM 173 CG MET A 43 -6.283 -6.135 -3.920 1.00 0.00 C ATOM 174 SD MET A 43 -5.605 -5.995 -5.591 1.00 0.00 S ATOM 175 CE MET A 43 -4.464 -4.599 -5.404 1.00 0.00 C ATOM 0 H MET A 43 -6.291 -7.771 -1.504 1.00 0.00 H new ATOM 0 HA MET A 43 -8.444 -6.084 -2.416 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.775 -8.239 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.995 -7.298 -4.567 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.767 -5.194 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.460 -6.276 -3.219 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.974 -4.399 -6.357 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.019 -3.715 -5.089 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.712 -4.842 -4.653 1.00 0.00 H new ATOM 185 N LEU A 44 -9.154 -9.242 -1.792 1.00 0.00 N ATOM 186 CA LEU A 44 -10.265 -10.120 -1.418 1.00 0.00 C ATOM 187 C LEU A 44 -11.202 -9.382 -0.465 1.00 0.00 C ATOM 188 O LEU A 44 -12.382 -9.203 -0.758 1.00 0.00 O ATOM 189 CB LEU A 44 -9.695 -11.402 -0.764 1.00 0.00 C ATOM 190 CG LEU A 44 -10.726 -12.306 -0.076 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.643 -12.947 -1.117 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.021 -13.390 0.737 1.00 0.00 C ATOM 0 H LEU A 44 -8.239 -9.667 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.837 -10.404 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.182 -11.983 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.944 -11.111 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.328 -11.697 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.370 -13.586 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.166 -12.167 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.048 -13.545 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.765 -14.024 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.402 -13.996 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.393 -12.925 1.497 1.00 0.00 H new ATOM 204 N ARG A 45 -10.653 -8.920 0.659 1.00 0.00 N ATOM 205 CA ARG A 45 -11.368 -8.137 1.661 1.00 0.00 C ATOM 206 C ARG A 45 -12.093 -6.977 1.002 1.00 0.00 C ATOM 207 O ARG A 45 -13.278 -6.806 1.251 1.00 0.00 O ATOM 208 CB ARG A 45 -10.344 -7.763 2.756 1.00 0.00 C ATOM 209 CG ARG A 45 -10.674 -6.603 3.713 1.00 0.00 C ATOM 210 CD ARG A 45 -10.106 -5.250 3.243 1.00 0.00 C ATOM 211 NE ARG A 45 -9.959 -4.327 4.387 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.359 -3.048 4.477 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.878 -2.414 3.431 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.238 -2.407 5.633 1.00 0.00 N ATOM 0 H ARG A 45 -9.676 -9.085 0.901 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.168 -8.693 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.169 -8.652 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.403 -7.525 2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.756 -6.520 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.278 -6.832 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.139 -5.401 2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.767 -4.811 2.496 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.496 -4.709 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.979 -2.899 2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.176 -1.443 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.844 -2.886 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.539 -1.436 5.711 1.00 0.00 H new ATOM 228 N ALA A 46 -11.430 -6.213 0.143 1.00 0.00 N ATOM 229 CA ALA A 46 -12.030 -5.023 -0.435 1.00 0.00 C ATOM 230 C ALA A 46 -13.227 -5.363 -1.315 1.00 0.00 C ATOM 231 O ALA A 46 -14.271 -4.730 -1.166 1.00 0.00 O ATOM 232 CB ALA A 46 -10.973 -4.230 -1.215 1.00 0.00 C ATOM 0 H ALA A 46 -10.476 -6.399 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.404 -4.402 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.431 -3.339 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.169 -3.935 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.568 -4.852 -2.013 1.00 0.00 H new ATOM 238 N VAL A 47 -13.119 -6.372 -2.187 1.00 0.00 N ATOM 239 CA VAL A 47 -14.241 -6.771 -3.037 1.00 0.00 C ATOM 240 C VAL A 47 -15.421 -7.177 -2.154 1.00 0.00 C ATOM 241 O VAL A 47 -16.546 -6.743 -2.384 1.00 0.00 O ATOM 242 CB VAL A 47 -13.810 -7.886 -4.013 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.982 -8.435 -4.832 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.779 -7.341 -5.011 1.00 0.00 C ATOM 0 H VAL A 47 -12.271 -6.923 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.563 -5.932 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.396 -8.685 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.623 -9.216 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.733 -8.850 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.425 -7.630 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.481 -8.135 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.219 -6.520 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.904 -6.981 -4.470 1.00 0.00 H new ATOM 254 N LEU A 48 -15.166 -7.968 -1.106 1.00 0.00 N ATOM 255 CA LEU A 48 -16.225 -8.460 -0.230 1.00 0.00 C ATOM 256 C LEU A 48 -16.892 -7.315 0.528 1.00 0.00 C ATOM 257 O LEU A 48 -18.104 -7.342 0.711 1.00 0.00 O ATOM 258 CB LEU A 48 -15.635 -9.446 0.785 1.00 0.00 C ATOM 259 CG LEU A 48 -15.069 -10.728 0.160 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.113 -11.333 1.176 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.180 -11.732 -0.147 1.00 0.00 C ATOM 0 H LEU A 48 -14.230 -8.280 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.973 -8.953 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.843 -8.946 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.408 -9.716 1.504 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.568 -10.493 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.685 -12.250 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.314 -10.624 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.654 -11.559 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.747 -12.630 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.698 -11.995 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.888 -11.288 -0.847 1.00 0.00 H new ATOM 273 N GLN A 49 -16.113 -6.333 0.998 1.00 0.00 N ATOM 274 CA GLN A 49 -16.632 -5.198 1.756 1.00 0.00 C ATOM 275 C GLN A 49 -17.585 -4.369 0.885 1.00 0.00 C ATOM 276 O GLN A 49 -18.620 -3.933 1.392 1.00 0.00 O ATOM 277 CB GLN A 49 -15.470 -4.334 2.288 1.00 0.00 C ATOM 278 CG GLN A 49 -14.704 -4.985 3.460 1.00 0.00 C ATOM 279 CD GLN A 49 -15.416 -4.941 4.817 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.487 -4.362 4.980 1.00 0.00 O ATOM 281 NE2 GLN A 49 -14.813 -5.566 5.818 1.00 0.00 N ATOM 0 H GLN A 49 -15.103 -6.307 0.861 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.195 -5.571 2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.773 -4.136 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.863 -3.370 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.504 -6.026 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.738 -4.490 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.924 -6.041 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.238 -5.572 6.745 1.00 0.00 H new ATOM 290 N SER A 50 -17.280 -4.180 -0.401 1.00 0.00 N ATOM 291 CA SER A 50 -18.183 -3.510 -1.331 1.00 0.00 C ATOM 292 C SER A 50 -19.416 -4.376 -1.616 1.00 0.00 C ATOM 293 O SER A 50 -20.542 -3.876 -1.610 1.00 0.00 O ATOM 294 CB SER A 50 -17.433 -3.215 -2.637 1.00 0.00 C ATOM 295 OG SER A 50 -16.293 -2.403 -2.382 1.00 0.00 O ATOM 0 H SER A 50 -16.403 -4.487 -0.823 1.00 0.00 H new ATOM 0 HA SER A 50 -18.524 -2.577 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.124 -4.150 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.097 -2.711 -3.339 1.00 0.00 H new ATOM 0 HG SER A 50 -15.582 -2.951 -1.990 1.00 0.00 H new ATOM 301 N HIS A 51 -19.218 -5.680 -1.828 1.00 0.00 N ATOM 302 CA HIS A 51 -20.245 -6.593 -2.323 1.00 0.00 C ATOM 303 C HIS A 51 -21.022 -7.204 -1.159 1.00 0.00 C ATOM 304 O HIS A 51 -20.962 -8.411 -0.931 1.00 0.00 O ATOM 305 CB HIS A 51 -19.599 -7.641 -3.248 1.00 0.00 C ATOM 306 CG HIS A 51 -19.015 -7.086 -4.532 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.826 -5.736 -4.864 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.584 -7.848 -5.575 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.281 -5.735 -6.092 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.138 -6.988 -6.553 1.00 0.00 N ATOM 0 H HIS A 51 -18.322 -6.136 -1.656 1.00 0.00 H new ATOM 0 HA HIS A 51 -20.977 -6.049 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.809 -8.152 -2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.348 -8.392 -3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.591 -8.927 -5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -17.996 -4.846 -6.635 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.766 -7.255 -7.464 1.00 0.00 H new ATOM 318 N LYS A 52 -21.755 -6.380 -0.395 1.00 0.00 N ATOM 319 CA LYS A 52 -22.499 -6.804 0.804 1.00 0.00 C ATOM 320 C LYS A 52 -23.488 -7.947 0.568 1.00 0.00 C ATOM 321 O LYS A 52 -23.742 -8.728 1.484 1.00 0.00 O ATOM 322 CB LYS A 52 -23.286 -5.618 1.377 1.00 0.00 C ATOM 323 CG LYS A 52 -22.426 -4.551 2.069 1.00 0.00 C ATOM 324 CD LYS A 52 -21.551 -5.156 3.185 1.00 0.00 C ATOM 325 CE LYS A 52 -21.033 -4.101 4.184 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.278 -2.992 3.535 1.00 0.00 N ATOM 0 H LYS A 52 -21.850 -5.384 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.739 -7.168 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.845 -5.146 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -24.017 -5.996 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.789 -4.063 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -23.072 -3.781 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -22.128 -5.907 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.702 -5.670 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.878 -3.684 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.389 -4.589 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.657 -2.539 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.703 -3.373 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.947 -2.290 3.160 1.00 0.00 H new ATOM 340 N ASN A 53 -24.029 -8.058 -0.647 1.00 0.00 N ATOM 341 CA ASN A 53 -24.882 -9.173 -1.057 1.00 0.00 C ATOM 342 C ASN A 53 -24.190 -10.533 -0.889 1.00 0.00 C ATOM 343 O ASN A 53 -24.866 -11.559 -0.803 1.00 0.00 O ATOM 344 CB ASN A 53 -25.285 -8.942 -2.524 1.00 0.00 C ATOM 345 CG ASN A 53 -26.060 -10.118 -3.113 1.00 0.00 C ATOM 346 OD1 ASN A 53 -27.280 -10.197 -2.989 1.00 0.00 O ATOM 347 ND2 ASN A 53 -25.372 -11.044 -3.761 1.00 0.00 N ATOM 0 H ASN A 53 -23.884 -7.366 -1.383 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.762 -9.203 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.894 -8.040 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.389 -8.767 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -25.854 -11.844 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -24.360 -10.957 -3.851 1.00 0.00 H new ATOM 354 N GLY A 54 -22.855 -10.545 -0.843 1.00 0.00 N ATOM 355 CA GLY A 54 -22.048 -11.738 -0.897 1.00 0.00 C ATOM 356 C GLY A 54 -21.870 -12.171 -2.345 1.00 0.00 C ATOM 357 O GLY A 54 -22.554 -11.684 -3.252 1.00 0.00 O ATOM 0 H GLY A 54 -22.302 -9.692 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.076 -11.552 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.522 -12.535 -0.324 1.00 0.00 H new ATOM 361 N ILE A 55 -20.925 -13.080 -2.561 1.00 0.00 N ATOM 362 CA ILE A 55 -20.522 -13.537 -3.884 1.00 0.00 C ATOM 363 C ILE A 55 -20.263 -15.030 -3.800 1.00 0.00 C ATOM 364 O ILE A 55 -19.466 -15.467 -2.982 1.00 0.00 O ATOM 365 CB ILE A 55 -19.312 -12.709 -4.407 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.273 -12.263 -3.341 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.823 -11.464 -5.136 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.205 -11.277 -3.842 1.00 0.00 C ATOM 0 H ILE A 55 -20.408 -13.528 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.309 -13.375 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.778 -13.395 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.805 -11.805 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.772 -13.149 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.976 -10.884 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.447 -11.765 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.410 -10.855 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.528 -11.027 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.640 -11.734 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.689 -10.369 -4.203 1.00 0.00 H new ATOM 380 N VAL A 56 -20.983 -15.812 -4.604 1.00 0.00 N ATOM 381 CA VAL A 56 -20.831 -17.269 -4.707 1.00 0.00 C ATOM 382 C VAL A 56 -19.377 -17.605 -5.049 1.00 0.00 C ATOM 383 O VAL A 56 -18.781 -16.819 -5.773 1.00 0.00 O ATOM 384 CB VAL A 56 -21.837 -17.817 -5.750 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.271 -17.749 -5.216 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.765 -17.096 -7.109 1.00 0.00 C ATOM 0 H VAL A 56 -21.708 -15.443 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.058 -17.751 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.549 -18.855 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.958 -18.139 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.350 -18.346 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.528 -16.713 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.496 -17.531 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -21.982 -16.037 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.765 -17.210 -7.529 1.00 0.00 H new ATOM 396 N LEU A 57 -18.783 -18.729 -4.610 1.00 0.00 N ATOM 397 CA LEU A 57 -17.338 -18.959 -4.830 1.00 0.00 C ATOM 398 C LEU A 57 -16.840 -18.759 -6.284 1.00 0.00 C ATOM 399 O LEU A 57 -15.741 -18.222 -6.431 1.00 0.00 O ATOM 400 CB LEU A 57 -16.757 -20.217 -4.136 1.00 0.00 C ATOM 401 CG LEU A 57 -16.753 -21.585 -4.867 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.811 -21.652 -6.083 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.282 -22.670 -3.888 1.00 0.00 C ATOM 0 H LEU A 57 -19.264 -19.478 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.894 -18.124 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.724 -19.991 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.304 -20.352 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.773 -21.732 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.870 -22.642 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.108 -20.901 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.787 -21.460 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.275 -23.637 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.276 -22.435 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.960 -22.710 -3.035 1.00 0.00 H new ATOM 415 N PRO A 58 -17.568 -19.093 -7.378 1.00 0.00 N ATOM 416 CA PRO A 58 -17.065 -18.782 -8.720 1.00 0.00 C ATOM 417 C PRO A 58 -17.143 -17.276 -9.021 1.00 0.00 C ATOM 418 O PRO A 58 -16.214 -16.706 -9.595 1.00 0.00 O ATOM 419 CB PRO A 58 -17.908 -19.624 -9.683 1.00 0.00 C ATOM 420 CG PRO A 58 -19.221 -19.852 -8.934 1.00 0.00 C ATOM 421 CD PRO A 58 -18.773 -19.918 -7.473 1.00 0.00 C ATOM 0 HA PRO A 58 -16.008 -19.026 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.073 -19.104 -10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.417 -20.567 -9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.929 -19.041 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.711 -20.773 -9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.553 -19.545 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.566 -20.946 -7.175 1.00 0.00 H new ATOM 429 N ARG A 59 -18.206 -16.596 -8.570 1.00 0.00 N ATOM 430 CA ARG A 59 -18.309 -15.137 -8.679 1.00 0.00 C ATOM 431 C ARG A 59 -17.257 -14.465 -7.803 1.00 0.00 C ATOM 432 O ARG A 59 -16.761 -13.411 -8.184 1.00 0.00 O ATOM 433 CB ARG A 59 -19.744 -14.672 -8.342 1.00 0.00 C ATOM 434 CG ARG A 59 -19.893 -13.171 -8.604 1.00 0.00 C ATOM 435 CD ARG A 59 -21.324 -12.624 -8.544 1.00 0.00 C ATOM 436 NE ARG A 59 -21.313 -11.192 -8.897 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.348 -10.346 -8.938 1.00 0.00 C ATOM 438 NH1 ARG A 59 -23.588 -10.749 -8.659 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.098 -9.086 -9.267 1.00 0.00 N ATOM 0 H ARG A 59 -19.010 -17.037 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.109 -14.836 -9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.464 -15.226 -8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.968 -14.890 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.287 -12.632 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.480 -12.950 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.965 -13.175 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.736 -12.761 -7.544 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.404 -10.798 -9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.764 -11.722 -8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.361 -10.085 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.144 -8.794 -9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.860 -8.409 -9.310 1.00 0.00 H new ATOM 453 N LEU A 60 -16.894 -15.071 -6.668 1.00 0.00 N ATOM 454 CA LEU A 60 -15.823 -14.584 -5.809 1.00 0.00 C ATOM 455 C LEU A 60 -14.581 -14.476 -6.670 1.00 0.00 C ATOM 456 O LEU A 60 -14.046 -13.382 -6.762 1.00 0.00 O ATOM 457 CB LEU A 60 -15.613 -15.481 -4.558 1.00 0.00 C ATOM 458 CG LEU A 60 -14.512 -15.042 -3.563 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.088 -15.349 -4.034 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.624 -13.565 -3.196 1.00 0.00 C ATOM 0 H LEU A 60 -17.342 -15.919 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.078 -13.607 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.558 -15.536 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.381 -16.490 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.694 -15.647 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.375 -15.011 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.977 -16.423 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.896 -14.832 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.831 -13.303 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.528 -12.958 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.593 -13.378 -2.733 1.00 0.00 H new ATOM 472 N GLN A 61 -14.168 -15.564 -7.342 1.00 0.00 N ATOM 473 CA GLN A 61 -13.008 -15.542 -8.235 1.00 0.00 C ATOM 474 C GLN A 61 -13.144 -14.435 -9.280 1.00 0.00 C ATOM 475 O GLN A 61 -12.187 -13.693 -9.470 1.00 0.00 O ATOM 476 CB GLN A 61 -12.790 -16.893 -8.948 1.00 0.00 C ATOM 477 CG GLN A 61 -11.982 -17.910 -8.136 1.00 0.00 C ATOM 478 CD GLN A 61 -11.587 -19.125 -8.986 1.00 0.00 C ATOM 479 OE1 GLN A 61 -12.413 -19.985 -9.280 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.323 -19.238 -9.405 1.00 0.00 N ATOM 0 H GLN A 61 -14.627 -16.473 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.139 -15.347 -7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.762 -17.326 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.280 -16.713 -9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.084 -17.432 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.568 -18.240 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.639 -18.523 -9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.043 -20.040 -9.970 1.00 0.00 H new ATOM 489 N GLY A 62 -14.301 -14.313 -9.939 1.00 0.00 N ATOM 490 CA GLY A 62 -14.496 -13.333 -11.001 1.00 0.00 C ATOM 491 C GLY A 62 -14.272 -11.903 -10.499 1.00 0.00 C ATOM 492 O GLY A 62 -13.432 -11.184 -11.035 1.00 0.00 O ATOM 0 H GLY A 62 -15.121 -14.889 -9.749 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.809 -13.543 -11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.506 -13.425 -11.400 1.00 0.00 H new ATOM 496 N GLU A 63 -14.988 -11.504 -9.448 1.00 0.00 N ATOM 497 CA GLU A 63 -14.979 -10.132 -8.937 1.00 0.00 C ATOM 498 C GLU A 63 -13.606 -9.807 -8.312 1.00 0.00 C ATOM 499 O GLU A 63 -13.025 -8.745 -8.565 1.00 0.00 O ATOM 500 CB GLU A 63 -16.101 -9.984 -7.894 1.00 0.00 C ATOM 501 CG GLU A 63 -17.521 -10.202 -8.458 1.00 0.00 C ATOM 502 CD GLU A 63 -18.171 -8.992 -9.155 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.558 -7.901 -9.238 1.00 0.00 O ATOM 504 OE2 GLU A 63 -19.329 -9.154 -9.616 1.00 0.00 O ATOM 0 H GLU A 63 -15.597 -12.130 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.151 -9.431 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.929 -10.697 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.045 -8.988 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.484 -11.027 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.170 -10.515 -7.640 1.00 0.00 H new ATOM 511 N TYR A 64 -13.066 -10.763 -7.547 1.00 0.00 N ATOM 512 CA TYR A 64 -11.711 -10.716 -7.014 1.00 0.00 C ATOM 513 C TYR A 64 -10.732 -10.425 -8.149 1.00 0.00 C ATOM 514 O TYR A 64 -9.964 -9.469 -8.056 1.00 0.00 O ATOM 515 CB TYR A 64 -11.407 -12.046 -6.319 1.00 0.00 C ATOM 516 CG TYR A 64 -9.954 -12.313 -6.032 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.181 -12.953 -7.016 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.372 -11.939 -4.806 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.830 -13.209 -6.778 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.015 -12.212 -4.564 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.241 -12.844 -5.562 1.00 0.00 C ATOM 522 OH TYR A 64 -5.927 -13.107 -5.369 1.00 0.00 O ATOM 0 H TYR A 64 -13.574 -11.606 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.610 -9.918 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.956 -12.077 -5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.791 -12.856 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.631 -13.246 -7.953 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.967 -11.443 -4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.234 -13.693 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.566 -11.940 -3.620 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.412 -12.779 -6.135 1.00 0.00 H new ATOM 532 N ARG A 65 -10.799 -11.205 -9.235 1.00 0.00 N ATOM 533 CA ARG A 65 -9.845 -11.103 -10.325 1.00 0.00 C ATOM 534 C ARG A 65 -10.007 -9.794 -11.084 1.00 0.00 C ATOM 535 O ARG A 65 -9.002 -9.262 -11.557 1.00 0.00 O ATOM 536 CB ARG A 65 -9.956 -12.329 -11.238 1.00 0.00 C ATOM 537 CG ARG A 65 -8.737 -12.460 -12.155 1.00 0.00 C ATOM 538 CD ARG A 65 -9.013 -12.224 -13.633 1.00 0.00 C ATOM 539 NE ARG A 65 -7.772 -12.460 -14.381 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.601 -12.320 -15.703 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.614 -11.942 -16.477 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.408 -12.556 -16.244 1.00 0.00 N ATOM 0 H ARG A 65 -11.515 -11.918 -9.374 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.837 -11.091 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.053 -13.229 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.860 -12.253 -11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.976 -11.752 -11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.317 -13.458 -12.035 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.799 -12.893 -13.983 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.365 -11.205 -13.795 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.960 -12.760 -13.842 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.529 -11.756 -16.065 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.476 -11.838 -17.482 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.628 -12.842 -15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.274 -12.450 -17.250 1.00 0.00 H new ATOM 556 N SER A 66 -11.216 -9.239 -11.187 1.00 0.00 N ATOM 557 CA SER A 66 -11.392 -7.900 -11.727 1.00 0.00 C ATOM 558 C SER A 66 -10.586 -6.878 -10.911 1.00 0.00 C ATOM 559 O SER A 66 -10.001 -5.970 -11.513 1.00 0.00 O ATOM 560 CB SER A 66 -12.877 -7.517 -11.780 1.00 0.00 C ATOM 561 OG SER A 66 -13.604 -8.426 -12.599 1.00 0.00 O ATOM 0 H SER A 66 -12.082 -9.698 -10.903 1.00 0.00 H new ATOM 0 HA SER A 66 -11.013 -7.893 -12.749 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.293 -7.515 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.983 -6.505 -12.170 1.00 0.00 H new ATOM 0 HG SER A 66 -13.586 -9.318 -12.193 1.00 0.00 H new ATOM 567 N LEU A 67 -10.511 -7.017 -9.578 1.00 0.00 N ATOM 568 CA LEU A 67 -9.681 -6.109 -8.778 1.00 0.00 C ATOM 569 C LEU A 67 -8.177 -6.432 -8.876 1.00 0.00 C ATOM 570 O LEU A 67 -7.386 -5.530 -9.164 1.00 0.00 O ATOM 571 CB LEU A 67 -10.154 -6.061 -7.314 1.00 0.00 C ATOM 572 CG LEU A 67 -9.405 -5.005 -6.468 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.501 -3.580 -7.036 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.972 -4.975 -5.046 1.00 0.00 C ATOM 0 H LEU A 67 -11.003 -7.733 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.809 -5.114 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.222 -5.845 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.017 -7.043 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.358 -5.306 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.953 -2.894 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.072 -3.558 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.547 -3.277 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.439 -4.229 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.031 -4.720 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.850 -5.955 -4.585 1.00 0.00 H new ATOM 586 N THR A 68 -7.756 -7.678 -8.633 1.00 0.00 N ATOM 587 CA THR A 68 -6.337 -8.030 -8.518 1.00 0.00 C ATOM 588 C THR A 68 -5.619 -8.134 -9.864 1.00 0.00 C ATOM 589 O THR A 68 -4.426 -7.827 -9.945 1.00 0.00 O ATOM 590 CB THR A 68 -6.197 -9.406 -7.852 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.103 -10.288 -8.474 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.491 -9.377 -6.360 1.00 0.00 C ATOM 0 H THR A 68 -8.388 -8.469 -8.511 1.00 0.00 H new ATOM 0 HA THR A 68 -5.886 -7.227 -7.936 1.00 0.00 H new ATOM 0 HB THR A 68 -5.163 -9.729 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.232 -11.077 -7.908 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.375 -10.379 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.796 -8.698 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.512 -9.033 -6.197 1.00 0.00 H new ATOM 600 N GLY A 69 -6.322 -8.575 -10.911 1.00 0.00 N ATOM 601 CA GLY A 69 -5.707 -8.953 -12.172 1.00 0.00 C ATOM 602 C GLY A 69 -5.034 -10.333 -12.037 1.00 0.00 C ATOM 603 O GLY A 69 -4.176 -10.670 -12.856 1.00 0.00 O ATOM 0 H GLY A 69 -7.337 -8.678 -10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.460 -8.982 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.969 -8.206 -12.464 1.00 0.00 H new ATOM 607 N ASP A 70 -5.402 -11.127 -11.020 1.00 0.00 N ATOM 608 CA ASP A 70 -4.876 -12.473 -10.751 1.00 0.00 C ATOM 609 C ASP A 70 -6.028 -13.356 -10.282 1.00 0.00 C ATOM 610 O ASP A 70 -6.990 -12.833 -9.722 1.00 0.00 O ATOM 611 CB ASP A 70 -3.796 -12.425 -9.653 1.00 0.00 C ATOM 612 CG ASP A 70 -3.007 -13.751 -9.537 1.00 0.00 C ATOM 613 OD1 ASP A 70 -2.985 -14.559 -10.500 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.394 -13.982 -8.466 1.00 0.00 O ATOM 0 H ASP A 70 -6.101 -10.837 -10.336 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.428 -12.873 -11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.103 -11.611 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.266 -12.201 -8.695 1.00 0.00 H new ATOM 619 N TRP A 71 -5.972 -14.670 -10.481 1.00 0.00 N ATOM 620 CA TRP A 71 -6.967 -15.588 -9.949 1.00 0.00 C ATOM 621 C TRP A 71 -6.588 -15.956 -8.505 1.00 0.00 C ATOM 622 O TRP A 71 -5.438 -15.778 -8.091 1.00 0.00 O ATOM 623 CB TRP A 71 -7.038 -16.826 -10.853 1.00 0.00 C ATOM 624 CG TRP A 71 -7.428 -16.549 -12.276 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.619 -16.656 -13.354 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.722 -16.112 -12.805 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.318 -16.343 -14.500 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.621 -15.992 -14.224 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.961 -15.766 -12.221 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.701 -15.593 -15.027 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -11.038 -15.325 -13.014 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.920 -15.261 -14.415 1.00 0.00 C ATOM 0 H TRP A 71 -5.233 -15.126 -11.017 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.954 -15.125 -9.931 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.065 -17.318 -10.848 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.753 -17.529 -10.426 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.579 -16.944 -13.322 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.919 -16.368 -15.438 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.084 -15.841 -11.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.596 -15.542 -16.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.964 -15.033 -12.542 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.764 -14.958 -15.017 1.00 0.00 H new ATOM 643 N ILE A 72 -7.561 -16.448 -7.727 1.00 0.00 N ATOM 644 CA ILE A 72 -7.353 -16.810 -6.317 1.00 0.00 C ATOM 645 C ILE A 72 -6.183 -17.811 -6.252 1.00 0.00 C ATOM 646 O ILE A 72 -6.228 -18.825 -6.956 1.00 0.00 O ATOM 647 CB ILE A 72 -8.653 -17.410 -5.718 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.753 -16.343 -5.510 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.394 -18.192 -4.414 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.640 -15.504 -4.235 1.00 0.00 C ATOM 0 H ILE A 72 -8.513 -16.606 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.108 -15.928 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.020 -18.120 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.745 -15.669 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.721 -16.843 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.335 -18.591 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.705 -19.013 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.958 -17.525 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.463 -14.790 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.684 -16.158 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.692 -14.965 -4.237 1.00 0.00 H new ATOM 662 N PRO A 73 -5.169 -17.585 -5.403 1.00 0.00 N ATOM 663 CA PRO A 73 -3.987 -18.431 -5.331 1.00 0.00 C ATOM 664 C PRO A 73 -4.229 -19.634 -4.397 1.00 0.00 C ATOM 665 O PRO A 73 -3.367 -19.941 -3.582 1.00 0.00 O ATOM 666 CB PRO A 73 -2.876 -17.487 -4.858 1.00 0.00 C ATOM 667 CG PRO A 73 -3.630 -16.625 -3.858 1.00 0.00 C ATOM 668 CD PRO A 73 -4.978 -16.419 -4.545 1.00 0.00 C ATOM 0 HA PRO A 73 -3.718 -18.890 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.048 -18.024 -4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.459 -16.900 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.738 -17.123 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.121 -15.679 -3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.781 -16.336 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.983 -15.499 -5.129 1.00 0.00 H new ATOM 676 N PHE A 74 -5.405 -20.272 -4.431 1.00 0.00 N ATOM 677 CA PHE A 74 -5.774 -21.298 -3.452 1.00 0.00 C ATOM 678 C PHE A 74 -4.765 -22.442 -3.458 1.00 0.00 C ATOM 679 O PHE A 74 -4.022 -22.620 -2.496 1.00 0.00 O ATOM 680 CB PHE A 74 -7.226 -21.791 -3.642 1.00 0.00 C ATOM 681 CG PHE A 74 -7.542 -22.540 -4.924 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.715 -21.859 -6.144 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.662 -23.941 -4.895 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.011 -22.571 -7.319 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.983 -24.654 -6.064 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.154 -23.969 -7.278 1.00 0.00 C ATOM 0 H PHE A 74 -6.122 -20.092 -5.133 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.741 -20.839 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.475 -22.439 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.887 -20.926 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.620 -20.784 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.507 -24.473 -3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.129 -22.044 -8.254 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.098 -25.727 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.395 -24.515 -8.178 1.00 0.00 H new ATOM 696 N LYS A 75 -4.663 -23.171 -4.564 1.00 0.00 N ATOM 697 CA LYS A 75 -3.812 -24.351 -4.677 1.00 0.00 C ATOM 698 C LYS A 75 -2.341 -23.940 -4.795 1.00 0.00 C ATOM 699 O LYS A 75 -1.451 -24.721 -4.462 1.00 0.00 O ATOM 700 CB LYS A 75 -4.332 -25.150 -5.883 1.00 0.00 C ATOM 701 CG LYS A 75 -3.731 -26.542 -6.106 1.00 0.00 C ATOM 702 CD LYS A 75 -3.826 -27.479 -4.890 1.00 0.00 C ATOM 703 CE LYS A 75 -3.277 -28.861 -5.279 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.322 -29.839 -4.160 1.00 0.00 N ATOM 0 H LYS A 75 -5.176 -22.956 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.856 -24.982 -3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.411 -25.260 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.159 -24.558 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.236 -27.011 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.683 -26.431 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.258 -27.070 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.861 -27.564 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.852 -29.251 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.247 -28.754 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.940 -30.751 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.752 -29.484 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.306 -29.966 -3.849 1.00 0.00 H new ATOM 718 N GLN A 76 -2.102 -22.702 -5.226 1.00 0.00 N ATOM 719 CA GLN A 76 -0.805 -22.083 -5.385 1.00 0.00 C ATOM 720 C GLN A 76 -0.197 -21.820 -3.990 1.00 0.00 C ATOM 721 O GLN A 76 0.986 -22.085 -3.775 1.00 0.00 O ATOM 722 CB GLN A 76 -0.964 -20.797 -6.230 1.00 0.00 C ATOM 723 CG GLN A 76 -1.626 -20.984 -7.626 1.00 0.00 C ATOM 724 CD GLN A 76 -3.164 -20.851 -7.660 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.873 -21.381 -6.810 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.747 -20.146 -8.618 1.00 0.00 N ATOM 0 H GLN A 76 -2.862 -22.074 -5.487 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.114 -22.737 -5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.556 -20.081 -5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.022 -20.354 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.201 -20.250 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.356 -21.969 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.180 -19.695 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.763 -20.054 -8.637 1.00 0.00 H new ATOM 735 N LEU A 77 -1.010 -21.356 -3.024 1.00 0.00 N ATOM 736 CA LEU A 77 -0.630 -21.219 -1.615 1.00 0.00 C ATOM 737 C LEU A 77 -0.716 -22.561 -0.878 1.00 0.00 C ATOM 738 O LEU A 77 0.014 -22.758 0.095 1.00 0.00 O ATOM 739 CB LEU A 77 -1.501 -20.165 -0.910 1.00 0.00 C ATOM 740 CG LEU A 77 -1.242 -18.705 -1.349 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.242 -17.755 -0.676 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.175 -18.221 -1.013 1.00 0.00 C ATOM 0 H LEU A 77 -1.969 -21.061 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 77 0.407 -20.885 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.550 -20.402 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.337 -20.240 0.165 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.362 -18.694 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.045 -16.732 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.257 -18.035 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.136 -17.823 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.296 -17.190 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.332 -18.276 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.905 -18.853 -1.519 1.00 0.00 H new ATOM 754 N GLY A 78 -1.554 -23.498 -1.345 1.00 0.00 N ATOM 755 CA GLY A 78 -1.605 -24.880 -0.860 1.00 0.00 C ATOM 756 C GLY A 78 -2.937 -25.257 -0.201 1.00 0.00 C ATOM 757 O GLY A 78 -3.039 -26.326 0.410 1.00 0.00 O ATOM 0 H GLY A 78 -2.229 -23.309 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.420 -25.555 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.799 -25.033 -0.142 1.00 0.00 H new ATOM 761 N TYR A 79 -3.966 -24.420 -0.327 1.00 0.00 N ATOM 762 CA TYR A 79 -5.327 -24.738 0.083 1.00 0.00 C ATOM 763 C TYR A 79 -5.926 -25.622 -1.013 1.00 0.00 C ATOM 764 O TYR A 79 -5.728 -25.318 -2.190 1.00 0.00 O ATOM 765 CB TYR A 79 -6.146 -23.448 0.206 1.00 0.00 C ATOM 766 CG TYR A 79 -5.481 -22.444 1.116 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.601 -22.583 2.506 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.736 -21.384 0.579 1.00 0.00 C ATOM 769 CE1 TYR A 79 -4.959 -21.674 3.359 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.088 -20.470 1.424 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.196 -20.608 2.827 1.00 0.00 C ATOM 772 OH TYR A 79 -3.561 -19.716 3.640 1.00 0.00 O ATOM 0 H TYR A 79 -3.872 -23.485 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.336 -25.245 1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.282 -23.008 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.139 -23.683 0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.188 -23.390 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.660 -21.270 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.048 -21.788 4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.508 -19.662 1.003 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.086 -19.056 3.093 1.00 0.00 H new ATOM 782 N PRO A 80 -6.662 -26.696 -0.690 1.00 0.00 N ATOM 783 CA PRO A 80 -7.095 -27.638 -1.710 1.00 0.00 C ATOM 784 C PRO A 80 -8.129 -27.048 -2.671 1.00 0.00 C ATOM 785 O PRO A 80 -8.181 -27.475 -3.826 1.00 0.00 O ATOM 786 CB PRO A 80 -7.645 -28.845 -0.944 1.00 0.00 C ATOM 787 CG PRO A 80 -8.065 -28.252 0.403 1.00 0.00 C ATOM 788 CD PRO A 80 -6.984 -27.197 0.634 1.00 0.00 C ATOM 0 HA PRO A 80 -6.263 -27.915 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.489 -29.299 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.890 -29.622 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.062 -27.813 0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.079 -29.003 1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.344 -26.398 1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.107 -27.629 1.117 1.00 0.00 H new ATOM 796 N THR A 81 -8.948 -26.089 -2.223 1.00 0.00 N ATOM 797 CA THR A 81 -10.102 -25.602 -2.972 1.00 0.00 C ATOM 798 C THR A 81 -10.295 -24.106 -2.709 1.00 0.00 C ATOM 799 O THR A 81 -9.711 -23.548 -1.774 1.00 0.00 O ATOM 800 CB THR A 81 -11.334 -26.420 -2.537 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.394 -26.409 -1.120 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.277 -27.874 -3.014 1.00 0.00 C ATOM 0 H THR A 81 -8.823 -25.628 -1.322 1.00 0.00 H new ATOM 0 HA THR A 81 -9.953 -25.727 -4.044 1.00 0.00 H new ATOM 0 HB THR A 81 -12.216 -25.964 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.173 -26.923 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.170 -28.402 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.228 -27.898 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.392 -28.358 -2.600 1.00 0.00 H new ATOM 810 N LEU A 82 -11.153 -23.462 -3.508 1.00 0.00 N ATOM 811 CA LEU A 82 -11.542 -22.065 -3.301 1.00 0.00 C ATOM 812 C LEU A 82 -12.202 -21.930 -1.941 1.00 0.00 C ATOM 813 O LEU A 82 -11.897 -20.986 -1.217 1.00 0.00 O ATOM 814 CB LEU A 82 -12.524 -21.580 -4.391 1.00 0.00 C ATOM 815 CG LEU A 82 -11.940 -21.300 -5.792 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.796 -20.291 -5.723 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.480 -22.561 -6.526 1.00 0.00 C ATOM 0 H LEU A 82 -11.597 -23.896 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.644 -21.450 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.309 -22.329 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.000 -20.667 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.762 -20.878 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.406 -20.115 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.163 -19.353 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.002 -20.684 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.081 -22.288 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.705 -23.059 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.326 -23.236 -6.655 1.00 0.00 H new ATOM 829 N GLU A 83 -13.073 -22.877 -1.581 1.00 0.00 N ATOM 830 CA GLU A 83 -13.709 -22.842 -0.276 1.00 0.00 C ATOM 831 C GLU A 83 -12.640 -22.909 0.804 1.00 0.00 C ATOM 832 O GLU A 83 -12.681 -22.075 1.694 1.00 0.00 O ATOM 833 CB GLU A 83 -14.814 -23.907 -0.118 1.00 0.00 C ATOM 834 CG GLU A 83 -14.355 -25.372 -0.145 1.00 0.00 C ATOM 835 CD GLU A 83 -15.518 -26.332 0.153 1.00 0.00 C ATOM 836 OE1 GLU A 83 -15.752 -26.629 1.349 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.197 -26.788 -0.798 1.00 0.00 O ATOM 0 H GLU A 83 -13.346 -23.664 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.239 -21.896 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.330 -23.727 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.545 -23.763 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.932 -25.604 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.563 -25.520 0.589 1.00 0.00 H new ATOM 844 N ALA A 84 -11.647 -23.803 0.723 1.00 0.00 N ATOM 845 CA ALA A 84 -10.633 -23.944 1.771 1.00 0.00 C ATOM 846 C ALA A 84 -9.808 -22.666 1.946 1.00 0.00 C ATOM 847 O ALA A 84 -9.560 -22.251 3.077 1.00 0.00 O ATOM 848 CB ALA A 84 -9.739 -25.141 1.466 1.00 0.00 C ATOM 0 H ALA A 84 -11.525 -24.442 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.145 -24.116 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -8.987 -25.242 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.344 -26.047 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.246 -24.992 0.505 1.00 0.00 H new ATOM 854 N TYR A 85 -9.431 -22.013 0.843 1.00 0.00 N ATOM 855 CA TYR A 85 -8.801 -20.698 0.894 1.00 0.00 C ATOM 856 C TYR A 85 -9.691 -19.708 1.663 1.00 0.00 C ATOM 857 O TYR A 85 -9.221 -19.044 2.587 1.00 0.00 O ATOM 858 CB TYR A 85 -8.490 -20.222 -0.534 1.00 0.00 C ATOM 859 CG TYR A 85 -8.066 -18.775 -0.599 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.748 -18.402 -0.270 1.00 0.00 C ATOM 861 CD2 TYR A 85 -8.998 -17.793 -0.982 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.356 -17.055 -0.281 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.621 -16.439 -0.993 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.299 -16.063 -0.643 1.00 0.00 C ATOM 865 OH TYR A 85 -6.945 -14.745 -0.657 1.00 0.00 O ATOM 0 H TYR A 85 -9.554 -22.380 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.857 -20.759 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.700 -20.845 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.373 -20.364 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.029 -19.164 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.000 -18.079 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.346 -16.778 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.340 -15.682 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.619 -14.231 -1.149 1.00 0.00 H new ATOM 875 N LEU A 86 -10.988 -19.646 1.340 1.00 0.00 N ATOM 876 CA LEU A 86 -11.928 -18.739 1.996 1.00 0.00 C ATOM 877 C LEU A 86 -12.182 -19.112 3.469 1.00 0.00 C ATOM 878 O LEU A 86 -12.307 -18.215 4.301 1.00 0.00 O ATOM 879 CB LEU A 86 -13.234 -18.699 1.183 1.00 0.00 C ATOM 880 CG LEU A 86 -13.094 -18.080 -0.217 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.237 -18.561 -1.118 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.081 -16.548 -0.137 1.00 0.00 C ATOM 0 H LEU A 86 -11.413 -20.225 0.615 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.487 -17.743 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.615 -19.715 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.979 -18.134 1.743 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.146 -18.403 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.131 -18.118 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.203 -19.647 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.192 -18.260 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.981 -16.132 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.012 -16.199 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.240 -16.223 0.476 1.00 0.00 H new ATOM 894 N ARG A 87 -12.205 -20.404 3.822 1.00 0.00 N ATOM 895 CA ARG A 87 -12.245 -20.862 5.227 1.00 0.00 C ATOM 896 C ARG A 87 -11.051 -20.302 6.000 1.00 0.00 C ATOM 897 O ARG A 87 -11.181 -19.981 7.179 1.00 0.00 O ATOM 898 CB ARG A 87 -12.191 -22.405 5.387 1.00 0.00 C ATOM 899 CG ARG A 87 -13.502 -23.215 5.332 1.00 0.00 C ATOM 900 CD ARG A 87 -13.987 -23.472 3.900 1.00 0.00 C ATOM 901 NE ARG A 87 -14.901 -24.621 3.704 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.032 -24.972 4.334 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.466 -24.347 5.425 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.737 -25.980 3.843 1.00 0.00 N ATOM 0 H ARG A 87 -12.197 -21.166 3.144 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.199 -20.502 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.534 -22.792 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.713 -22.619 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.354 -24.170 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.277 -22.680 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.490 -22.573 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.113 -23.620 3.266 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.621 -25.258 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.933 -23.569 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.332 -24.646 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.416 -26.467 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.601 -26.269 4.301 1.00 0.00 H new ATOM 918 N SER A 88 -9.892 -20.198 5.350 1.00 0.00 N ATOM 919 CA SER A 88 -8.608 -19.890 5.980 1.00 0.00 C ATOM 920 C SER A 88 -8.379 -18.391 6.260 1.00 0.00 C ATOM 921 O SER A 88 -7.260 -18.010 6.611 1.00 0.00 O ATOM 922 CB SER A 88 -7.491 -20.524 5.145 1.00 0.00 C ATOM 923 OG SER A 88 -7.705 -21.926 5.051 1.00 0.00 O ATOM 0 H SER A 88 -9.818 -20.330 4.341 1.00 0.00 H new ATOM 0 HA SER A 88 -8.608 -20.327 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.471 -20.081 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.522 -20.323 5.602 1.00 0.00 H new ATOM 0 HG SER A 88 -8.357 -22.111 4.343 1.00 0.00 H new ATOM 929 N VAL A 89 -9.406 -17.539 6.139 1.00 0.00 N ATOM 930 CA VAL A 89 -9.336 -16.100 6.441 1.00 0.00 C ATOM 931 C VAL A 89 -10.503 -15.677 7.374 1.00 0.00 C ATOM 932 O VAL A 89 -11.146 -14.652 7.147 1.00 0.00 O ATOM 933 CB VAL A 89 -9.179 -15.344 5.090 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.248 -15.727 4.053 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.064 -13.814 5.199 1.00 0.00 C ATOM 0 H VAL A 89 -10.329 -17.836 5.822 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.462 -15.826 7.032 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.210 -15.693 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.082 -15.165 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.184 -16.794 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.237 -15.494 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.959 -13.385 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.961 -13.415 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.191 -13.557 5.799 1.00 0.00 H new ATOM 945 N PRO A 90 -10.813 -16.421 8.458 1.00 0.00 N ATOM 946 CA PRO A 90 -12.032 -16.198 9.237 1.00 0.00 C ATOM 947 C PRO A 90 -12.027 -14.885 10.039 1.00 0.00 C ATOM 948 O PRO A 90 -13.088 -14.427 10.469 1.00 0.00 O ATOM 949 CB PRO A 90 -12.145 -17.417 10.155 1.00 0.00 C ATOM 950 CG PRO A 90 -10.691 -17.803 10.416 1.00 0.00 C ATOM 951 CD PRO A 90 -9.996 -17.447 9.103 1.00 0.00 C ATOM 0 HA PRO A 90 -12.890 -16.090 8.574 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.668 -17.176 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.696 -18.228 9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.272 -17.250 11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.591 -18.863 10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.987 -17.078 9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.903 -18.325 8.464 1.00 0.00 H new ATOM 959 N ALA A 91 -10.855 -14.267 10.251 1.00 0.00 N ATOM 960 CA ALA A 91 -10.743 -13.017 11.007 1.00 0.00 C ATOM 961 C ALA A 91 -11.049 -11.776 10.155 1.00 0.00 C ATOM 962 O ALA A 91 -11.136 -10.674 10.703 1.00 0.00 O ATOM 963 CB ALA A 91 -9.333 -12.925 11.606 1.00 0.00 C ATOM 0 H ALA A 91 -9.964 -14.620 9.903 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.492 -13.034 11.799 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.238 -11.998 12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.163 -13.773 12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.595 -12.938 10.804 1.00 0.00 H new ATOM 969 N VAL A 92 -11.195 -11.924 8.829 1.00 0.00 N ATOM 970 CA VAL A 92 -11.372 -10.804 7.897 1.00 0.00 C ATOM 971 C VAL A 92 -12.545 -11.085 6.945 1.00 0.00 C ATOM 972 O VAL A 92 -13.170 -10.150 6.445 1.00 0.00 O ATOM 973 CB VAL A 92 -10.031 -10.543 7.159 1.00 0.00 C ATOM 974 CG1 VAL A 92 -10.083 -9.301 6.264 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.844 -10.368 8.118 1.00 0.00 C ATOM 0 H VAL A 92 -11.193 -12.835 8.371 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.631 -9.893 8.436 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.884 -11.436 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.119 -9.166 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.860 -9.428 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.306 -8.424 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.935 -10.189 7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.030 -9.520 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.723 -11.271 8.716 1.00 0.00 H new ATOM 985 N VAL A 93 -12.891 -12.352 6.717 1.00 0.00 N ATOM 986 CA VAL A 93 -13.827 -12.818 5.697 1.00 0.00 C ATOM 987 C VAL A 93 -14.747 -13.870 6.343 1.00 0.00 C ATOM 988 O VAL A 93 -14.459 -14.397 7.418 1.00 0.00 O ATOM 989 CB VAL A 93 -12.974 -13.345 4.517 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.701 -14.172 3.441 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.222 -12.179 3.846 1.00 0.00 C ATOM 0 H VAL A 93 -12.506 -13.119 7.268 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.482 -12.041 5.304 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.295 -14.055 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.989 -14.478 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.143 -15.057 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.486 -13.568 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.625 -12.560 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.941 -11.451 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.568 -11.701 4.575 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.879 -14.146 5.698 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.956 -15.016 6.173 1.00 0.00 C ATOM 1003 C ARG A 94 -17.486 -15.763 4.966 1.00 0.00 C ATOM 1004 O ARG A 94 -17.369 -15.284 3.841 1.00 0.00 O ATOM 1005 CB ARG A 94 -18.029 -14.142 6.860 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.340 -14.863 7.221 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.312 -13.948 7.970 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.883 -12.898 7.099 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.134 -12.865 6.612 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.950 -13.909 6.717 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.567 -11.761 6.010 1.00 0.00 N ATOM 0 H ARG A 94 -16.081 -13.748 4.781 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.619 -15.744 6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.602 -13.723 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.264 -13.304 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.815 -15.228 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.116 -15.735 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.120 -14.547 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.794 -13.480 8.807 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.268 -12.125 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.631 -14.762 7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.896 -13.857 6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.951 -10.953 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.515 -11.723 5.636 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.085 -16.922 5.188 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.733 -17.702 4.148 1.00 0.00 C ATOM 1027 C ILE A 95 -20.017 -18.297 4.730 1.00 0.00 C ATOM 1028 O ILE A 95 -20.101 -18.549 5.932 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.773 -18.781 3.594 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.266 -19.729 4.696 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.582 -18.142 2.855 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.353 -20.841 4.172 1.00 0.00 C ATOM 0 H ILE A 95 -18.135 -17.353 6.111 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.995 -17.070 3.299 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.349 -19.374 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.726 -19.148 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.122 -20.179 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.925 -18.926 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.950 -17.544 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.027 -17.504 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.033 -21.471 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.896 -21.446 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.479 -20.399 3.694 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.992 -18.560 3.867 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.229 -19.251 4.188 1.00 0.00 C ATOM 1046 C GLU A 96 -22.384 -20.326 3.110 1.00 0.00 C ATOM 1047 O GLU A 96 -22.741 -20.020 1.970 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.421 -18.274 4.210 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.283 -17.083 5.177 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.164 -17.436 6.672 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -23.591 -18.537 7.103 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -22.644 -16.581 7.433 1.00 0.00 O ATOM 0 H GLU A 96 -20.937 -18.285 2.886 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.204 -19.695 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.569 -17.886 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.320 -18.831 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.404 -16.507 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.147 -16.432 5.046 1.00 0.00 H new ATOM 1059 N ALA A 97 -22.044 -21.574 3.439 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.321 -22.719 2.578 1.00 0.00 C ATOM 1061 C ALA A 97 -23.809 -23.051 2.725 1.00 0.00 C ATOM 1062 O ALA A 97 -24.283 -23.341 3.827 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.421 -23.903 2.954 1.00 0.00 C ATOM 0 H ALA A 97 -21.570 -21.816 4.309 1.00 0.00 H new ATOM 0 HA ALA A 97 -22.103 -22.491 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.641 -24.748 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.376 -23.617 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.606 -24.186 3.990 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.754 -21.991 -1.979 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.220 -21.214 -0.869 1.00 0.00 C ATOM 1139 C ILE A 103 -21.142 -19.773 -1.326 1.00 0.00 C ATOM 1140 O ILE A 103 -20.692 -19.510 -2.440 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.883 -21.806 -0.343 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.150 -20.881 0.656 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.926 -22.303 -1.430 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.181 -19.863 0.024 1.00 0.00 C ATOM 0 HA ILE A 103 -21.874 -21.259 0.002 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.206 -22.693 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.896 -20.336 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.592 -21.501 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -18.022 -22.698 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.410 -23.090 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.664 -21.476 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.719 -19.264 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.407 -20.393 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.730 -19.210 -0.654 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.554 -18.863 -0.450 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.574 -17.430 -0.675 1.00 0.00 C ATOM 1158 C VAL A 104 -20.534 -16.841 0.272 1.00 0.00 C ATOM 1159 O VAL A 104 -20.491 -17.209 1.443 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.004 -16.890 -0.430 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.115 -15.430 -0.892 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.086 -17.705 -1.162 1.00 0.00 C ATOM 0 H VAL A 104 -21.897 -19.120 0.476 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.324 -17.153 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.175 -16.974 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.127 -15.067 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.406 -14.817 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.891 -15.367 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.067 -17.279 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.900 -17.675 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.058 -18.739 -0.817 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.664 -15.972 -0.241 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.561 -15.374 0.492 1.00 0.00 C ATOM 1174 C CYS A 105 -18.951 -13.961 0.900 1.00 0.00 C ATOM 1175 O CYS A 105 -19.632 -13.290 0.131 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.312 -15.319 -0.404 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.132 -16.821 -1.414 1.00 0.00 S ATOM 0 H CYS A 105 -19.714 -15.658 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.341 -15.971 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.372 -14.448 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.425 -15.191 0.217 1.00 0.00 H new ATOM 0 HG CYS A 105 -17.999 -16.799 -2.382 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.457 -13.490 2.046 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.782 -12.202 2.650 1.00 0.00 C ATOM 1185 C TYR A 106 -17.555 -11.628 3.356 1.00 0.00 C ATOM 1186 O TYR A 106 -16.583 -12.340 3.601 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.877 -12.410 3.696 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.221 -12.799 3.144 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.060 -11.807 2.605 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.628 -14.145 3.181 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.357 -12.133 2.193 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.911 -14.489 2.723 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.797 -13.481 2.255 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.066 -13.793 1.863 1.00 0.00 O ATOM 0 H TYR A 106 -17.788 -14.023 2.602 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.112 -11.517 1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.550 -13.182 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.990 -11.490 4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.703 -10.792 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.961 -14.906 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -24.020 -11.362 1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.225 -15.522 2.727 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.212 -14.757 1.965 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.608 -10.347 3.721 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.579 -9.727 4.546 1.00 0.00 C ATOM 1206 C ALA A 107 -16.887 -9.951 6.031 1.00 0.00 C ATOM 1207 O ALA A 107 -17.998 -10.351 6.388 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.529 -8.227 4.243 1.00 0.00 C ATOM 0 H ALA A 107 -18.363 -9.715 3.453 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.613 -10.178 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.761 -7.757 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.294 -8.076 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.497 -7.778 4.466 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.910 -9.636 6.885 1.00 0.00 N ATOM 1215 CA VAL A 108 -16.094 -9.621 8.344 1.00 0.00 C ATOM 1216 C VAL A 108 -15.406 -8.448 9.064 1.00 0.00 C ATOM 1217 O VAL A 108 -15.891 -8.045 10.124 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.693 -11.004 8.920 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.594 -11.025 9.991 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.929 -11.714 9.493 1.00 0.00 C ATOM 0 H VAL A 108 -14.968 -9.384 6.587 1.00 0.00 H new ATOM 0 HA VAL A 108 -17.152 -9.443 8.538 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.265 -11.516 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.412 -12.053 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.677 -10.604 9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.911 -10.433 10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.637 -12.684 9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.361 -11.107 10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.666 -11.855 8.703 1.00 0.00 H new ATOM 1230 N ALA A 109 -14.298 -7.913 8.525 1.00 0.00 N ATOM 1231 CA ALA A 109 -13.583 -6.818 9.181 1.00 0.00 C ATOM 1232 C ALA A 109 -14.493 -5.594 9.381 1.00 0.00 C ATOM 1233 O ALA A 109 -15.362 -5.326 8.518 1.00 0.00 O ATOM 1234 CB ALA A 109 -12.312 -6.434 8.413 1.00 0.00 C ATOM 1235 OXT ALA A 109 -14.306 -4.881 10.393 1.00 0.00 O ATOM 0 H ALA A 109 -13.885 -8.221 7.645 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.281 -7.176 10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.807 -5.618 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.646 -7.295 8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -12.578 -6.116 7.405 1.00 0.00 H new