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 87:sc= 1.18 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.06) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0721 X(o=0.072,f=-0.28) USER MOD Single : A 50 SER OG : rot 72:sc= 0.0125 USER MOD Single : A 51 HIS : no HD1:sc= 0.968 K(o=0.97,f=-4!) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 1.11 (180deg=0.93) USER MOD Single : A 53 ASN : amide:sc= -0.0851 X(o=-0.085,f=-0.085) USER MOD Single : A 61 GLN : amide:sc= 0.82 K(o=0.82,f=-5.6!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.133 USER MOD Single : A 66 SER OG : rot 67:sc= 0.142 USER MOD Single : A 68 THR OG1 : rot -166:sc= 0.735 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.21! C(o=-1.2!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.245 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 85:sc= 1.21 USER MOD Single : A 105 CYS SG : rot 76:sc= -1.46! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.573 -7.643 0.018 1.00 0.00 N ATOM 45 CA LEU A 35 3.177 -8.972 -0.190 1.00 0.00 C ATOM 46 C LEU A 35 2.105 -9.907 -0.751 1.00 0.00 C ATOM 47 O LEU A 35 0.932 -9.638 -0.540 1.00 0.00 O ATOM 48 CB LEU A 35 3.736 -9.535 1.132 1.00 0.00 C ATOM 49 CG LEU A 35 4.822 -8.676 1.806 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.298 -9.369 3.090 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.025 -8.415 0.890 1.00 0.00 C ATOM 0 HA LEU A 35 4.007 -8.888 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.910 -9.662 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.147 -10.526 0.941 1.00 0.00 H new ATOM 0 HG LEU A 35 4.374 -7.709 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.067 -8.762 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.456 -9.491 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.710 -10.348 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.758 -7.805 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.479 -9.364 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.693 -7.890 -0.006 1.00 0.00 H new ATOM 63 N GLU A 36 2.465 -11.018 -1.400 1.00 0.00 N ATOM 64 CA GLU A 36 1.511 -11.843 -2.156 1.00 0.00 C ATOM 65 C GLU A 36 0.269 -12.219 -1.351 1.00 0.00 C ATOM 66 O GLU A 36 -0.845 -11.874 -1.745 1.00 0.00 O ATOM 67 CB GLU A 36 2.214 -13.076 -2.749 1.00 0.00 C ATOM 68 CG GLU A 36 1.261 -13.952 -3.578 1.00 0.00 C ATOM 69 CD GLU A 36 2.024 -15.094 -4.273 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.175 -16.184 -3.667 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.479 -14.914 -5.429 1.00 0.00 O ATOM 0 H GLU A 36 3.421 -11.372 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 36 1.143 -11.231 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.043 -12.751 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.640 -13.671 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.488 -14.367 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.756 -13.340 -4.325 1.00 0.00 H new ATOM 78 N ALA A 37 0.452 -12.888 -0.216 1.00 0.00 N ATOM 79 CA ALA A 37 -0.693 -13.392 0.545 1.00 0.00 C ATOM 80 C ALA A 37 -1.516 -12.236 1.133 1.00 0.00 C ATOM 81 O ALA A 37 -2.742 -12.332 1.222 1.00 0.00 O ATOM 82 CB ALA A 37 -0.243 -14.375 1.633 1.00 0.00 C ATOM 0 H ALA A 37 1.364 -13.092 0.193 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.340 -13.939 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.114 -14.733 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.268 -15.220 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.437 -13.871 2.320 1.00 0.00 H new ATOM 88 N ASP A 38 -0.858 -11.135 1.508 1.00 0.00 N ATOM 89 CA ASP A 38 -1.515 -9.951 2.041 1.00 0.00 C ATOM 90 C ASP A 38 -2.312 -9.241 0.941 1.00 0.00 C ATOM 91 O ASP A 38 -3.462 -8.867 1.159 1.00 0.00 O ATOM 92 CB ASP A 38 -0.461 -9.014 2.647 1.00 0.00 C ATOM 93 CG ASP A 38 -1.124 -7.873 3.424 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.651 -8.147 4.530 1.00 0.00 O ATOM 95 OD2 ASP A 38 -1.118 -6.716 2.944 1.00 0.00 O ATOM 0 H ASP A 38 0.156 -11.046 1.447 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.216 -10.246 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.194 -9.578 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.165 -8.604 1.855 1.00 0.00 H new ATOM 100 N LEU A 39 -1.740 -9.141 -0.262 1.00 0.00 N ATOM 101 CA LEU A 39 -2.332 -8.519 -1.438 1.00 0.00 C ATOM 102 C LEU A 39 -3.645 -9.196 -1.740 1.00 0.00 C ATOM 103 O LEU A 39 -4.679 -8.529 -1.802 1.00 0.00 O ATOM 104 CB LEU A 39 -1.378 -8.626 -2.653 1.00 0.00 C ATOM 105 CG LEU A 39 -1.893 -7.924 -3.931 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.699 -7.426 -4.760 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.753 -8.829 -4.829 1.00 0.00 C ATOM 0 H LEU A 39 -0.807 -9.511 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.502 -7.461 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.413 -8.198 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.208 -9.680 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.523 -7.102 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.062 -6.931 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.115 -6.721 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.072 -8.272 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.078 -8.269 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.166 -9.691 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.626 -9.170 -4.272 1.00 0.00 H new ATOM 119 N VAL A 40 -3.599 -10.515 -1.927 1.00 0.00 N ATOM 120 CA VAL A 40 -4.767 -11.243 -2.364 1.00 0.00 C ATOM 121 C VAL A 40 -5.831 -11.183 -1.264 1.00 0.00 C ATOM 122 O VAL A 40 -6.983 -10.921 -1.578 1.00 0.00 O ATOM 123 CB VAL A 40 -4.382 -12.655 -2.855 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.338 -12.563 -3.982 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.835 -13.574 -1.757 1.00 0.00 C ATOM 0 H VAL A 40 -2.768 -11.088 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.220 -10.780 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.311 -13.098 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.076 -13.566 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.752 -11.997 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.445 -12.060 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.589 -14.546 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.938 -13.130 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.588 -13.700 -0.979 1.00 0.00 H new ATOM 135 N SER A 41 -5.457 -11.288 0.019 1.00 0.00 N ATOM 136 CA SER A 41 -6.415 -11.242 1.122 1.00 0.00 C ATOM 137 C SER A 41 -7.062 -9.860 1.278 1.00 0.00 C ATOM 138 O SER A 41 -8.277 -9.776 1.419 1.00 0.00 O ATOM 139 CB SER A 41 -5.740 -11.694 2.425 1.00 0.00 C ATOM 140 OG SER A 41 -5.199 -12.996 2.275 1.00 0.00 O ATOM 0 H SER A 41 -4.488 -11.406 0.315 1.00 0.00 H new ATOM 0 HA SER A 41 -7.224 -11.933 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.950 -10.994 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.465 -11.686 3.239 1.00 0.00 H new ATOM 0 HG SER A 41 -4.291 -12.933 1.912 1.00 0.00 H new ATOM 146 N LYS A 42 -6.299 -8.762 1.223 1.00 0.00 N ATOM 147 CA LYS A 42 -6.865 -7.409 1.328 1.00 0.00 C ATOM 148 C LYS A 42 -7.724 -7.099 0.112 1.00 0.00 C ATOM 149 O LYS A 42 -8.823 -6.582 0.286 1.00 0.00 O ATOM 150 CB LYS A 42 -5.744 -6.363 1.473 1.00 0.00 C ATOM 151 CG LYS A 42 -5.354 -6.044 2.924 1.00 0.00 C ATOM 152 CD LYS A 42 -4.951 -7.229 3.813 1.00 0.00 C ATOM 153 CE LYS A 42 -4.566 -6.666 5.189 1.00 0.00 C ATOM 154 NZ LYS A 42 -3.893 -7.670 6.054 1.00 0.00 N ATOM 0 H LYS A 42 -5.286 -8.783 1.106 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.493 -7.366 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.861 -6.720 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.059 -5.441 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.524 -5.337 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.194 -5.536 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.775 -7.936 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.114 -7.771 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.906 -5.809 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.462 -6.303 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.839 -7.309 7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.436 -8.557 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.933 -7.848 5.697 1.00 0.00 H new ATOM 168 N MET A 43 -7.287 -7.424 -1.105 1.00 0.00 N ATOM 169 CA MET A 43 -8.093 -7.132 -2.293 1.00 0.00 C ATOM 170 C MET A 43 -9.368 -7.989 -2.299 1.00 0.00 C ATOM 171 O MET A 43 -10.449 -7.445 -2.507 1.00 0.00 O ATOM 172 CB MET A 43 -7.259 -7.283 -3.575 1.00 0.00 C ATOM 173 CG MET A 43 -6.208 -6.163 -3.690 1.00 0.00 C ATOM 174 SD MET A 43 -5.466 -5.976 -5.333 1.00 0.00 S ATOM 175 CE MET A 43 -4.277 -4.639 -5.049 1.00 0.00 C ATOM 0 H MET A 43 -6.395 -7.882 -1.294 1.00 0.00 H new ATOM 0 HA MET A 43 -8.413 -6.091 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.762 -8.253 -3.577 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.916 -7.260 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.673 -5.218 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.414 -6.355 -2.969 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.748 -4.419 -5.976 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.806 -3.747 -4.713 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.561 -4.945 -4.287 1.00 0.00 H new ATOM 185 N LEU A 44 -9.278 -9.282 -1.965 1.00 0.00 N ATOM 186 CA LEU A 44 -10.429 -10.167 -1.719 1.00 0.00 C ATOM 187 C LEU A 44 -11.417 -9.477 -0.788 1.00 0.00 C ATOM 188 O LEU A 44 -12.574 -9.249 -1.139 1.00 0.00 O ATOM 189 CB LEU A 44 -9.889 -11.476 -1.094 1.00 0.00 C ATOM 190 CG LEU A 44 -10.926 -12.436 -0.502 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.663 -13.154 -1.625 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.246 -13.463 0.401 1.00 0.00 C ATOM 0 H LEU A 44 -8.382 -9.756 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.955 -10.395 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.327 -12.012 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.183 -11.211 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.637 -11.860 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.399 -13.836 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.168 -12.422 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.950 -13.719 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.996 -14.138 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.523 -14.036 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.733 -12.949 1.214 1.00 0.00 H new ATOM 204 N ARG A 45 -10.940 -9.104 0.394 1.00 0.00 N ATOM 205 CA ARG A 45 -11.701 -8.394 1.408 1.00 0.00 C ATOM 206 C ARG A 45 -12.325 -7.131 0.843 1.00 0.00 C ATOM 207 O ARG A 45 -13.491 -6.880 1.121 1.00 0.00 O ATOM 208 CB ARG A 45 -10.739 -8.167 2.580 1.00 0.00 C ATOM 209 CG ARG A 45 -11.111 -7.101 3.605 1.00 0.00 C ATOM 210 CD ARG A 45 -10.559 -5.704 3.278 1.00 0.00 C ATOM 211 NE ARG A 45 -10.402 -4.971 4.533 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.210 -3.659 4.704 1.00 0.00 C ATOM 213 NH1 ARG A 45 -9.875 -2.872 3.681 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.360 -3.153 5.919 1.00 0.00 N ATOM 0 H ARG A 45 -9.980 -9.295 0.680 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.560 -8.964 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.623 -9.114 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.763 -7.910 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.197 -7.044 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.742 -7.407 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.602 -5.784 2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.238 -5.174 2.610 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.444 -5.531 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.761 -3.269 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.733 -1.873 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.616 -3.761 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.219 -2.155 6.077 1.00 0.00 H new ATOM 228 N ALA A 46 -11.601 -6.345 0.052 1.00 0.00 N ATOM 229 CA ALA A 46 -12.122 -5.087 -0.447 1.00 0.00 C ATOM 230 C ALA A 46 -13.291 -5.324 -1.402 1.00 0.00 C ATOM 231 O ALA A 46 -14.311 -4.650 -1.275 1.00 0.00 O ATOM 232 CB ALA A 46 -11.009 -4.275 -1.114 1.00 0.00 C ATOM 0 H ALA A 46 -10.652 -6.561 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.500 -4.508 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.416 -3.334 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.223 -4.070 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.594 -4.842 -1.947 1.00 0.00 H new ATOM 238 N VAL A 47 -13.190 -6.318 -2.293 1.00 0.00 N ATOM 239 CA VAL A 47 -14.296 -6.687 -3.176 1.00 0.00 C ATOM 240 C VAL A 47 -15.499 -7.082 -2.317 1.00 0.00 C ATOM 241 O VAL A 47 -16.614 -6.613 -2.543 1.00 0.00 O ATOM 242 CB VAL A 47 -13.857 -7.824 -4.123 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.002 -8.336 -4.998 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.742 -7.346 -5.063 1.00 0.00 C ATOM 0 H VAL A 47 -12.349 -6.881 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.585 -5.843 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.510 -8.631 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.637 -9.134 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.801 -8.719 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.385 -7.520 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.447 -8.162 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.104 -6.510 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.882 -7.026 -4.474 1.00 0.00 H new ATOM 254 N LEU A 48 -15.273 -7.912 -1.295 1.00 0.00 N ATOM 255 CA LEU A 48 -16.335 -8.394 -0.421 1.00 0.00 C ATOM 256 C LEU A 48 -17.005 -7.245 0.337 1.00 0.00 C ATOM 257 O LEU A 48 -18.212 -7.295 0.550 1.00 0.00 O ATOM 258 CB LEU A 48 -15.754 -9.419 0.570 1.00 0.00 C ATOM 259 CG LEU A 48 -15.277 -10.707 -0.116 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.290 -11.422 0.797 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.456 -11.637 -0.377 1.00 0.00 C ATOM 0 H LEU A 48 -14.347 -8.266 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.099 -8.869 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.919 -8.967 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.511 -9.668 1.314 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.805 -10.446 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.947 -12.338 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.437 -10.772 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.779 -11.668 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.102 -12.546 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.933 -11.894 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.178 -11.137 -1.023 1.00 0.00 H new ATOM 273 N GLN A 49 -16.244 -6.223 0.748 1.00 0.00 N ATOM 274 CA GLN A 49 -16.779 -5.072 1.472 1.00 0.00 C ATOM 275 C GLN A 49 -17.620 -4.178 0.559 1.00 0.00 C ATOM 276 O GLN A 49 -18.619 -3.627 1.031 1.00 0.00 O ATOM 277 CB GLN A 49 -15.642 -4.297 2.173 1.00 0.00 C ATOM 278 CG GLN A 49 -15.178 -5.112 3.396 1.00 0.00 C ATOM 279 CD GLN A 49 -14.104 -4.486 4.284 1.00 0.00 C ATOM 280 OE1 GLN A 49 -13.474 -3.485 3.956 1.00 0.00 O ATOM 281 NE2 GLN A 49 -13.880 -5.093 5.445 1.00 0.00 N ATOM 0 H GLN A 49 -15.238 -6.175 0.586 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.452 -5.435 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.811 -4.139 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.990 -3.312 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.051 -5.318 4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.805 -6.073 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.415 -5.924 5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.173 -4.728 6.083 1.00 0.00 H new ATOM 290 N SER A 50 -17.292 -4.073 -0.730 1.00 0.00 N ATOM 291 CA SER A 50 -18.153 -3.403 -1.703 1.00 0.00 C ATOM 292 C SER A 50 -19.425 -4.218 -1.975 1.00 0.00 C ATOM 293 O SER A 50 -20.511 -3.652 -2.114 1.00 0.00 O ATOM 294 CB SER A 50 -17.379 -3.189 -3.009 1.00 0.00 C ATOM 295 OG SER A 50 -16.209 -2.411 -2.775 1.00 0.00 O ATOM 0 H SER A 50 -16.429 -4.447 -1.125 1.00 0.00 H new ATOM 0 HA SER A 50 -18.454 -2.440 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.102 -4.153 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.016 -2.688 -3.738 1.00 0.00 H new ATOM 0 HG SER A 50 -15.549 -2.950 -2.292 1.00 0.00 H new ATOM 301 N HIS A 51 -19.312 -5.549 -1.988 1.00 0.00 N ATOM 302 CA HIS A 51 -20.357 -6.465 -2.442 1.00 0.00 C ATOM 303 C HIS A 51 -21.112 -7.063 -1.250 1.00 0.00 C ATOM 304 O HIS A 51 -21.031 -8.266 -0.994 1.00 0.00 O ATOM 305 CB HIS A 51 -19.741 -7.521 -3.378 1.00 0.00 C ATOM 306 CG HIS A 51 -19.199 -6.978 -4.686 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.985 -5.633 -5.024 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.838 -7.757 -5.745 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.492 -5.650 -6.277 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.410 -6.907 -6.736 1.00 0.00 N ATOM 0 H HIS A 51 -18.469 -6.030 -1.675 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.106 -5.924 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.933 -8.027 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.497 -8.274 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.880 -8.835 -5.795 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.203 -4.772 -6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.085 -7.185 -7.662 1.00 0.00 H new ATOM 318 N LYS A 52 -21.848 -6.233 -0.497 1.00 0.00 N ATOM 319 CA LYS A 52 -22.560 -6.653 0.722 1.00 0.00 C ATOM 320 C LYS A 52 -23.562 -7.787 0.507 1.00 0.00 C ATOM 321 O LYS A 52 -23.832 -8.534 1.448 1.00 0.00 O ATOM 322 CB LYS A 52 -23.300 -5.458 1.349 1.00 0.00 C ATOM 323 CG LYS A 52 -22.398 -4.365 1.939 1.00 0.00 C ATOM 324 CD LYS A 52 -21.380 -4.917 2.950 1.00 0.00 C ATOM 325 CE LYS A 52 -20.820 -3.827 3.884 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.252 -2.654 3.159 1.00 0.00 N ATOM 0 H LYS A 52 -21.968 -5.244 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.785 -7.032 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.939 -5.008 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.955 -5.830 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.866 -3.864 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -23.018 -3.613 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.854 -5.695 3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.557 -5.386 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.615 -3.484 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.046 -4.263 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.688 -2.079 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.645 -2.986 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.026 -2.078 2.771 1.00 0.00 H new ATOM 340 N ASN A 53 -24.095 -7.945 -0.708 1.00 0.00 N ATOM 341 CA ASN A 53 -24.982 -9.058 -1.053 1.00 0.00 C ATOM 342 C ASN A 53 -24.276 -10.424 -0.977 1.00 0.00 C ATOM 343 O ASN A 53 -24.943 -11.461 -0.999 1.00 0.00 O ATOM 344 CB ASN A 53 -25.562 -8.823 -2.459 1.00 0.00 C ATOM 345 CG ASN A 53 -26.590 -9.880 -2.862 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.347 -10.707 -3.738 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.762 -9.875 -2.241 1.00 0.00 N ATOM 0 H ASN A 53 -23.923 -7.303 -1.481 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.786 -9.088 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -26.028 -7.838 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.750 -8.818 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.473 -10.563 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.952 -9.184 -1.516 1.00 0.00 H new ATOM 354 N GLY A 54 -22.943 -10.438 -0.871 1.00 0.00 N ATOM 355 CA GLY A 54 -22.126 -11.626 -0.955 1.00 0.00 C ATOM 356 C GLY A 54 -21.925 -12.029 -2.408 1.00 0.00 C ATOM 357 O GLY A 54 -22.566 -11.504 -3.325 1.00 0.00 O ATOM 0 H GLY A 54 -22.398 -9.589 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.160 -11.445 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.600 -12.441 -0.407 1.00 0.00 H new ATOM 361 N ILE A 55 -21.004 -12.967 -2.622 1.00 0.00 N ATOM 362 CA ILE A 55 -20.616 -13.436 -3.948 1.00 0.00 C ATOM 363 C ILE A 55 -20.337 -14.926 -3.819 1.00 0.00 C ATOM 364 O ILE A 55 -19.550 -15.335 -2.973 1.00 0.00 O ATOM 365 CB ILE A 55 -19.414 -12.614 -4.513 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.413 -12.090 -3.450 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.911 -11.414 -5.329 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.322 -11.150 -3.993 1.00 0.00 C ATOM 0 H ILE A 55 -20.499 -13.429 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.410 -13.284 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.874 -13.329 -5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.971 -11.565 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.932 -12.944 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.057 -10.856 -5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.518 -11.767 -6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.512 -10.765 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.672 -10.837 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.733 -11.673 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.788 -10.273 -4.442 1.00 0.00 H new ATOM 380 N VAL A 56 -21.038 -15.734 -4.613 1.00 0.00 N ATOM 381 CA VAL A 56 -20.865 -17.189 -4.672 1.00 0.00 C ATOM 382 C VAL A 56 -19.425 -17.520 -5.070 1.00 0.00 C ATOM 383 O VAL A 56 -18.856 -16.767 -5.851 1.00 0.00 O ATOM 384 CB VAL A 56 -21.905 -17.799 -5.640 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.318 -17.715 -5.055 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.899 -17.155 -7.042 1.00 0.00 C ATOM 0 H VAL A 56 -21.758 -15.390 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.039 -17.631 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.609 -18.841 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.029 -18.151 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.355 -18.263 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.577 -16.671 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.654 -17.634 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.122 -16.092 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.917 -17.284 -7.497 1.00 0.00 H new ATOM 396 N LEU A 57 -18.823 -18.622 -4.608 1.00 0.00 N ATOM 397 CA LEU A 57 -17.391 -18.906 -4.851 1.00 0.00 C ATOM 398 C LEU A 57 -16.862 -18.712 -6.301 1.00 0.00 C ATOM 399 O LEU A 57 -15.754 -18.194 -6.416 1.00 0.00 O ATOM 400 CB LEU A 57 -16.888 -20.217 -4.202 1.00 0.00 C ATOM 401 CG LEU A 57 -17.254 -21.552 -4.893 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.499 -22.704 -4.232 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.750 -21.893 -4.846 1.00 0.00 C ATOM 0 H LEU A 57 -19.301 -19.338 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.922 -18.083 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.801 -20.162 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.269 -20.253 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.974 -21.422 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.762 -23.641 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.426 -22.535 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.770 -22.759 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.923 -22.843 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.073 -21.971 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.318 -21.108 -5.345 1.00 0.00 H new ATOM 415 N PRO A 58 -17.562 -19.018 -7.419 1.00 0.00 N ATOM 416 CA PRO A 58 -17.031 -18.685 -8.749 1.00 0.00 C ATOM 417 C PRO A 58 -17.130 -17.179 -9.042 1.00 0.00 C ATOM 418 O PRO A 58 -16.206 -16.584 -9.594 1.00 0.00 O ATOM 419 CB PRO A 58 -17.846 -19.520 -9.744 1.00 0.00 C ATOM 420 CG PRO A 58 -19.188 -19.712 -9.039 1.00 0.00 C ATOM 421 CD PRO A 58 -18.787 -19.804 -7.565 1.00 0.00 C ATOM 0 HA PRO A 58 -15.968 -18.917 -8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.964 -19.005 -10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.364 -20.475 -9.955 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.864 -18.877 -9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.697 -20.615 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.577 -19.414 -6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.620 -20.841 -7.272 1.00 0.00 H new ATOM 429 N ARG A 59 -18.217 -16.529 -8.613 1.00 0.00 N ATOM 430 CA ARG A 59 -18.382 -15.077 -8.710 1.00 0.00 C ATOM 431 C ARG A 59 -17.345 -14.372 -7.832 1.00 0.00 C ATOM 432 O ARG A 59 -16.871 -13.300 -8.199 1.00 0.00 O ATOM 433 CB ARG A 59 -19.833 -14.716 -8.322 1.00 0.00 C ATOM 434 CG ARG A 59 -20.193 -13.259 -8.634 1.00 0.00 C ATOM 435 CD ARG A 59 -21.667 -12.954 -8.328 1.00 0.00 C ATOM 436 NE ARG A 59 -21.998 -11.548 -8.635 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.193 -10.959 -8.476 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.243 -11.658 -8.043 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.335 -9.666 -8.748 1.00 0.00 N ATOM 0 H ARG A 59 -19.013 -17.001 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.211 -14.736 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.520 -15.376 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.974 -14.899 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.556 -12.595 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.990 -13.052 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.307 -13.616 -8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.872 -13.157 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.245 -10.968 -9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.142 -12.650 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.147 -11.200 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.536 -9.123 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.243 -9.216 -8.628 1.00 0.00 H new ATOM 453 N LEU A 60 -16.973 -14.980 -6.699 1.00 0.00 N ATOM 454 CA LEU A 60 -15.911 -14.499 -5.830 1.00 0.00 C ATOM 455 C LEU A 60 -14.638 -14.398 -6.654 1.00 0.00 C ATOM 456 O LEU A 60 -14.094 -13.306 -6.738 1.00 0.00 O ATOM 457 CB LEU A 60 -15.755 -15.403 -4.581 1.00 0.00 C ATOM 458 CG LEU A 60 -14.694 -14.987 -3.548 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.270 -15.333 -3.981 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.791 -13.503 -3.198 1.00 0.00 C ATOM 0 H LEU A 60 -17.415 -15.835 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.154 -13.510 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.719 -15.452 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.521 -16.412 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.914 -15.571 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.568 -15.014 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.185 -16.410 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.040 -14.822 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.024 -13.251 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.643 -12.906 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.775 -13.291 -2.780 1.00 0.00 H new ATOM 472 N GLN A 61 -14.213 -15.486 -7.311 1.00 0.00 N ATOM 473 CA GLN A 61 -13.059 -15.473 -8.216 1.00 0.00 C ATOM 474 C GLN A 61 -13.182 -14.379 -9.280 1.00 0.00 C ATOM 475 O GLN A 61 -12.222 -13.645 -9.503 1.00 0.00 O ATOM 476 CB GLN A 61 -12.879 -16.851 -8.882 1.00 0.00 C ATOM 477 CG GLN A 61 -11.954 -17.803 -8.115 1.00 0.00 C ATOM 478 CD GLN A 61 -10.484 -17.615 -8.521 1.00 0.00 C ATOM 479 OE1 GLN A 61 -9.943 -16.520 -8.447 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.792 -18.664 -8.957 1.00 0.00 N ATOM 0 H GLN A 61 -14.661 -16.399 -7.229 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.176 -15.251 -7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.857 -17.321 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.482 -16.707 -9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.061 -17.630 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.255 -18.834 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.239 -19.579 -9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.815 -18.554 -9.228 1.00 0.00 H new ATOM 489 N GLY A 62 -14.347 -14.244 -9.918 1.00 0.00 N ATOM 490 CA GLY A 62 -14.547 -13.270 -10.985 1.00 0.00 C ATOM 491 C GLY A 62 -14.315 -11.838 -10.494 1.00 0.00 C ATOM 492 O GLY A 62 -13.478 -11.120 -11.041 1.00 0.00 O ATOM 0 H GLY A 62 -15.172 -14.805 -9.708 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.867 -13.487 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.560 -13.361 -11.376 1.00 0.00 H new ATOM 496 N GLU A 63 -15.013 -11.428 -9.433 1.00 0.00 N ATOM 497 CA GLU A 63 -14.956 -10.050 -8.945 1.00 0.00 C ATOM 498 C GLU A 63 -13.608 -9.764 -8.269 1.00 0.00 C ATOM 499 O GLU A 63 -13.030 -8.685 -8.460 1.00 0.00 O ATOM 500 CB GLU A 63 -16.130 -9.801 -7.987 1.00 0.00 C ATOM 501 CG GLU A 63 -17.501 -9.890 -8.672 1.00 0.00 C ATOM 502 CD GLU A 63 -17.685 -8.802 -9.746 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.715 -7.602 -9.380 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.799 -9.139 -10.949 1.00 0.00 O ATOM 0 H GLU A 63 -15.628 -12.036 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.042 -9.365 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.089 -10.528 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.020 -8.815 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.614 -10.873 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.287 -9.795 -7.923 1.00 0.00 H new ATOM 511 N TYR A 64 -13.073 -10.751 -7.534 1.00 0.00 N ATOM 512 CA TYR A 64 -11.713 -10.726 -7.009 1.00 0.00 C ATOM 513 C TYR A 64 -10.762 -10.361 -8.139 1.00 0.00 C ATOM 514 O TYR A 64 -10.006 -9.395 -8.010 1.00 0.00 O ATOM 515 CB TYR A 64 -11.361 -12.098 -6.414 1.00 0.00 C ATOM 516 CG TYR A 64 -9.882 -12.336 -6.208 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.118 -12.869 -7.259 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.275 -12.031 -4.980 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.745 -13.073 -7.088 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.903 -12.264 -4.794 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.133 -12.791 -5.856 1.00 0.00 C ATOM 522 OH TYR A 64 -5.804 -13.028 -5.710 1.00 0.00 O ATOM 0 H TYR A 64 -13.586 -11.598 -7.288 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.626 -9.983 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.869 -12.205 -5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.752 -12.875 -7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.590 -13.121 -8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.865 -11.616 -4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.152 -13.450 -7.908 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.438 -12.042 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.303 -12.494 -6.361 1.00 0.00 H new ATOM 532 N ARG A 65 -10.838 -11.092 -9.256 1.00 0.00 N ATOM 533 CA ARG A 65 -9.935 -10.911 -10.373 1.00 0.00 C ATOM 534 C ARG A 65 -10.111 -9.538 -10.998 1.00 0.00 C ATOM 535 O ARG A 65 -9.114 -8.949 -11.417 1.00 0.00 O ATOM 536 CB ARG A 65 -10.141 -12.045 -11.378 1.00 0.00 C ATOM 537 CG ARG A 65 -9.213 -11.865 -12.587 1.00 0.00 C ATOM 538 CD ARG A 65 -8.989 -13.192 -13.288 1.00 0.00 C ATOM 539 NE ARG A 65 -7.773 -13.135 -14.105 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.685 -13.022 -15.440 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.777 -12.924 -16.193 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.487 -13.008 -16.019 1.00 0.00 N ATOM 0 H ARG A 65 -11.533 -11.825 -9.401 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.904 -10.955 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.943 -13.004 -10.899 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.180 -12.062 -11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.648 -11.148 -13.283 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.258 -11.453 -12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.904 -13.991 -12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.847 -13.429 -13.917 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.889 -13.187 -13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.699 -12.934 -15.758 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.692 -12.839 -17.206 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.644 -13.083 -15.449 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.411 -12.922 -17.033 1.00 0.00 H new ATOM 556 N SER A 66 -11.333 -9.005 -11.064 1.00 0.00 N ATOM 557 CA SER A 66 -11.540 -7.659 -11.568 1.00 0.00 C ATOM 558 C SER A 66 -10.739 -6.640 -10.746 1.00 0.00 C ATOM 559 O SER A 66 -10.228 -5.679 -11.327 1.00 0.00 O ATOM 560 CB SER A 66 -13.031 -7.306 -11.578 1.00 0.00 C ATOM 561 OG SER A 66 -13.772 -8.251 -12.336 1.00 0.00 O ATOM 0 H SER A 66 -12.185 -9.486 -10.775 1.00 0.00 H new ATOM 0 HA SER A 66 -11.178 -7.621 -12.595 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.409 -7.278 -10.556 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.170 -6.309 -11.997 1.00 0.00 H new ATOM 0 HG SER A 66 -13.757 -9.119 -11.882 1.00 0.00 H new ATOM 567 N LEU A 67 -10.586 -6.840 -9.424 1.00 0.00 N ATOM 568 CA LEU A 67 -9.737 -5.956 -8.623 1.00 0.00 C ATOM 569 C LEU A 67 -8.239 -6.298 -8.738 1.00 0.00 C ATOM 570 O LEU A 67 -7.445 -5.395 -9.003 1.00 0.00 O ATOM 571 CB LEU A 67 -10.189 -5.927 -7.158 1.00 0.00 C ATOM 572 CG LEU A 67 -9.395 -4.915 -6.302 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.461 -3.474 -6.829 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.934 -4.904 -4.870 1.00 0.00 C ATOM 0 H LEU A 67 -11.032 -7.593 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.858 -4.955 -9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.249 -5.678 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.078 -6.923 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.358 -5.247 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.880 -2.821 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.051 -3.437 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.498 -3.140 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.368 -4.188 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.986 -4.618 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.832 -5.898 -4.435 1.00 0.00 H new ATOM 586 N THR A 68 -7.828 -7.553 -8.534 1.00 0.00 N ATOM 587 CA THR A 68 -6.407 -7.906 -8.420 1.00 0.00 C ATOM 588 C THR A 68 -5.694 -7.944 -9.772 1.00 0.00 C ATOM 589 O THR A 68 -4.494 -7.655 -9.849 1.00 0.00 O ATOM 590 CB THR A 68 -6.276 -9.312 -7.818 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.154 -10.188 -8.498 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.609 -9.326 -6.334 1.00 0.00 C ATOM 0 H THR A 68 -8.462 -8.347 -8.444 1.00 0.00 H new ATOM 0 HA THR A 68 -5.951 -7.138 -7.795 1.00 0.00 H new ATOM 0 HB THR A 68 -5.241 -9.634 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.250 -11.018 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.504 -10.340 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.928 -8.662 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.634 -8.986 -6.188 1.00 0.00 H new ATOM 600 N GLY A 69 -6.420 -8.311 -10.831 1.00 0.00 N ATOM 601 CA GLY A 69 -5.846 -8.626 -12.122 1.00 0.00 C ATOM 602 C GLY A 69 -5.197 -10.018 -12.094 1.00 0.00 C ATOM 603 O GLY A 69 -4.312 -10.284 -12.908 1.00 0.00 O ATOM 0 H GLY A 69 -7.436 -8.396 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.620 -8.594 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.102 -7.876 -12.389 1.00 0.00 H new ATOM 607 N ASP A 70 -5.599 -10.899 -11.163 1.00 0.00 N ATOM 608 CA ASP A 70 -5.021 -12.228 -10.961 1.00 0.00 C ATOM 609 C ASP A 70 -6.123 -13.219 -10.572 1.00 0.00 C ATOM 610 O ASP A 70 -7.240 -12.815 -10.253 1.00 0.00 O ATOM 611 CB ASP A 70 -3.956 -12.184 -9.849 1.00 0.00 C ATOM 612 CG ASP A 70 -3.013 -13.409 -9.843 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.014 -14.222 -10.799 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.249 -13.551 -8.860 1.00 0.00 O ATOM 0 H ASP A 70 -6.358 -10.695 -10.513 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.552 -12.550 -11.891 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.360 -11.279 -9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.455 -12.116 -8.882 1.00 0.00 H new ATOM 619 N TRP A 71 -5.824 -14.513 -10.592 1.00 0.00 N ATOM 620 CA TRP A 71 -6.674 -15.564 -10.046 1.00 0.00 C ATOM 621 C TRP A 71 -6.247 -15.825 -8.601 1.00 0.00 C ATOM 622 O TRP A 71 -5.088 -15.586 -8.239 1.00 0.00 O ATOM 623 CB TRP A 71 -6.509 -16.846 -10.871 1.00 0.00 C ATOM 624 CG TRP A 71 -6.945 -16.731 -12.299 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.141 -16.764 -13.379 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.297 -16.558 -12.822 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.894 -16.642 -14.530 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.235 -16.497 -14.246 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.564 -16.394 -12.224 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.377 -16.301 -15.042 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.708 -16.166 -13.012 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.622 -16.130 -14.416 1.00 0.00 C ATOM 0 H TRP A 71 -4.960 -14.869 -11.000 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.719 -15.256 -10.081 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.461 -17.144 -10.848 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.078 -17.644 -10.395 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.067 -16.870 -13.349 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.506 -16.657 -15.473 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.657 -16.444 -11.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.298 -16.282 -16.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.664 -16.017 -12.533 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.510 -15.971 -15.010 1.00 0.00 H new ATOM 643 N ILE A 72 -7.163 -16.311 -7.763 1.00 0.00 N ATOM 644 CA ILE A 72 -6.853 -16.644 -6.377 1.00 0.00 C ATOM 645 C ILE A 72 -5.757 -17.713 -6.350 1.00 0.00 C ATOM 646 O ILE A 72 -5.888 -18.733 -7.034 1.00 0.00 O ATOM 647 CB ILE A 72 -8.131 -17.065 -5.619 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.832 -15.765 -5.195 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.873 -17.980 -4.412 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.182 -15.947 -4.528 1.00 0.00 C ATOM 0 H ILE A 72 -8.133 -16.483 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.470 -15.767 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.754 -17.669 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.177 -15.224 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.962 -15.137 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.821 -18.229 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.384 -18.895 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.231 -17.466 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.593 -14.972 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.860 -16.456 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -10.064 -16.544 -3.624 1.00 0.00 H new ATOM 662 N PRO A 73 -4.718 -17.537 -5.520 1.00 0.00 N ATOM 663 CA PRO A 73 -3.658 -18.509 -5.356 1.00 0.00 C ATOM 664 C PRO A 73 -4.069 -19.650 -4.398 1.00 0.00 C ATOM 665 O PRO A 73 -3.325 -19.944 -3.476 1.00 0.00 O ATOM 666 CB PRO A 73 -2.453 -17.677 -4.889 1.00 0.00 C ATOM 667 CG PRO A 73 -3.104 -16.606 -4.026 1.00 0.00 C ATOM 668 CD PRO A 73 -4.397 -16.319 -4.782 1.00 0.00 C ATOM 0 HA PRO A 73 -3.416 -19.046 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.741 -18.277 -4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.908 -17.245 -5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.296 -16.961 -3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.478 -15.718 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.201 -16.058 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.272 -15.475 -5.460 1.00 0.00 H new ATOM 676 N PHE A 74 -5.255 -20.268 -4.514 1.00 0.00 N ATOM 677 CA PHE A 74 -5.717 -21.256 -3.525 1.00 0.00 C ATOM 678 C PHE A 74 -4.774 -22.457 -3.480 1.00 0.00 C ATOM 679 O PHE A 74 -4.110 -22.683 -2.471 1.00 0.00 O ATOM 680 CB PHE A 74 -7.186 -21.671 -3.744 1.00 0.00 C ATOM 681 CG PHE A 74 -7.506 -22.403 -5.036 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.674 -21.702 -6.246 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.631 -23.803 -5.027 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.959 -22.398 -7.432 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.933 -24.501 -6.209 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.097 -23.798 -7.414 1.00 0.00 C ATOM 0 H PHE A 74 -5.909 -20.102 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.690 -20.777 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.488 -22.305 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.803 -20.773 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.583 -20.626 -6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.494 -24.347 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.072 -21.857 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.039 -25.576 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.328 -24.331 -8.324 1.00 0.00 H new ATOM 696 N LYS A 75 -4.641 -23.180 -4.589 1.00 0.00 N ATOM 697 CA LYS A 75 -3.791 -24.365 -4.703 1.00 0.00 C ATOM 698 C LYS A 75 -2.313 -23.994 -4.574 1.00 0.00 C ATOM 699 O LYS A 75 -1.496 -24.795 -4.120 1.00 0.00 O ATOM 700 CB LYS A 75 -4.121 -25.013 -6.055 1.00 0.00 C ATOM 701 CG LYS A 75 -3.583 -26.447 -6.177 1.00 0.00 C ATOM 702 CD LYS A 75 -3.989 -27.068 -7.524 1.00 0.00 C ATOM 703 CE LYS A 75 -3.443 -28.498 -7.633 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.789 -29.136 -8.930 1.00 0.00 N ATOM 0 H LYS A 75 -5.132 -22.954 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.982 -25.073 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.202 -25.023 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.703 -24.404 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.497 -26.442 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.969 -27.056 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.075 -27.077 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.605 -26.461 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.359 -28.481 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.842 -29.100 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.399 -30.100 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.823 -29.178 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.387 -28.578 -9.710 1.00 0.00 H new ATOM 718 N GLN A 76 -1.988 -22.763 -4.957 1.00 0.00 N ATOM 719 CA GLN A 76 -0.657 -22.201 -4.995 1.00 0.00 C ATOM 720 C GLN A 76 -0.193 -21.883 -3.553 1.00 0.00 C ATOM 721 O GLN A 76 0.957 -22.158 -3.208 1.00 0.00 O ATOM 722 CB GLN A 76 -0.674 -20.964 -5.922 1.00 0.00 C ATOM 723 CG GLN A 76 -1.224 -21.186 -7.364 1.00 0.00 C ATOM 724 CD GLN A 76 -2.748 -20.986 -7.540 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.552 -21.495 -6.771 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.222 -20.247 -8.532 1.00 0.00 N ATOM 0 H GLN A 76 -2.696 -22.097 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 76 0.066 -22.906 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.271 -20.187 -5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.344 -20.581 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.707 -20.504 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.971 -22.199 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.581 -19.807 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.228 -20.118 -8.636 1.00 0.00 H new ATOM 735 N LEU A 77 -1.090 -21.369 -2.696 1.00 0.00 N ATOM 736 CA LEU A 77 -0.879 -21.207 -1.255 1.00 0.00 C ATOM 737 C LEU A 77 -0.979 -22.564 -0.541 1.00 0.00 C ATOM 738 O LEU A 77 -0.347 -22.744 0.498 1.00 0.00 O ATOM 739 CB LEU A 77 -1.892 -20.217 -0.652 1.00 0.00 C ATOM 740 CG LEU A 77 -1.707 -18.732 -1.045 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.921 -17.901 -0.591 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.444 -18.104 -0.442 1.00 0.00 C ATOM 0 H LEU A 77 -2.009 -21.046 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 77 0.122 -20.802 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.894 -20.528 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.842 -20.294 0.434 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.609 -18.720 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.775 -16.859 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.823 -18.284 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.025 -17.971 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.371 -17.062 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.497 -18.154 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.434 -18.649 -0.788 1.00 0.00 H new ATOM 754 N GLY A 78 -1.719 -23.526 -1.109 1.00 0.00 N ATOM 755 CA GLY A 78 -1.767 -24.920 -0.660 1.00 0.00 C ATOM 756 C GLY A 78 -3.148 -25.373 -0.169 1.00 0.00 C ATOM 757 O GLY A 78 -3.274 -26.492 0.335 1.00 0.00 O ATOM 0 H GLY A 78 -2.317 -23.349 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.455 -25.566 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.045 -25.056 0.145 1.00 0.00 H new ATOM 761 N TYR A 79 -4.182 -24.542 -0.314 1.00 0.00 N ATOM 762 CA TYR A 79 -5.560 -24.898 0.004 1.00 0.00 C ATOM 763 C TYR A 79 -6.116 -25.719 -1.160 1.00 0.00 C ATOM 764 O TYR A 79 -5.852 -25.362 -2.311 1.00 0.00 O ATOM 765 CB TYR A 79 -6.393 -23.625 0.183 1.00 0.00 C ATOM 766 CG TYR A 79 -5.757 -22.681 1.173 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.853 -22.942 2.548 1.00 0.00 C ATOM 768 CD2 TYR A 79 -5.054 -21.553 0.716 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.216 -22.095 3.468 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.422 -20.698 1.629 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.490 -20.967 3.016 1.00 0.00 C ATOM 772 OH TYR A 79 -3.855 -20.136 3.893 1.00 0.00 O ATOM 0 H TYR A 79 -4.080 -23.588 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.600 -25.475 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.505 -23.124 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.394 -23.889 0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.417 -23.794 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.001 -21.344 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.280 -22.305 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.882 -19.833 1.273 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.408 -19.418 3.398 1.00 0.00 H new ATOM 782 N PRO A 80 -6.904 -26.775 -0.923 1.00 0.00 N ATOM 783 CA PRO A 80 -7.332 -27.641 -2.010 1.00 0.00 C ATOM 784 C PRO A 80 -8.356 -26.985 -2.942 1.00 0.00 C ATOM 785 O PRO A 80 -8.429 -27.363 -4.114 1.00 0.00 O ATOM 786 CB PRO A 80 -7.903 -28.894 -1.328 1.00 0.00 C ATOM 787 CG PRO A 80 -8.378 -28.360 0.025 1.00 0.00 C ATOM 788 CD PRO A 80 -7.292 -27.337 0.358 1.00 0.00 C ATOM 0 HA PRO A 80 -6.493 -27.875 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.722 -29.328 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.147 -29.671 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.365 -27.902 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.441 -29.148 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.668 -26.566 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.445 -27.808 0.856 1.00 0.00 H new ATOM 796 N THR A 81 -9.147 -26.024 -2.452 1.00 0.00 N ATOM 797 CA THR A 81 -10.284 -25.474 -3.173 1.00 0.00 C ATOM 798 C THR A 81 -10.417 -23.982 -2.867 1.00 0.00 C ATOM 799 O THR A 81 -9.834 -23.483 -1.900 1.00 0.00 O ATOM 800 CB THR A 81 -11.541 -26.255 -2.734 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.570 -26.280 -1.315 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.564 -27.698 -3.242 1.00 0.00 C ATOM 0 H THR A 81 -9.008 -25.606 -1.532 1.00 0.00 H new ATOM 0 HA THR A 81 -10.153 -25.575 -4.250 1.00 0.00 H new ATOM 0 HB THR A 81 -12.407 -25.749 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.266 -26.900 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.474 -28.190 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.540 -27.701 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.695 -28.233 -2.859 1.00 0.00 H new ATOM 810 N LEU A 82 -11.241 -23.276 -3.654 1.00 0.00 N ATOM 811 CA LEU A 82 -11.603 -21.889 -3.362 1.00 0.00 C ATOM 812 C LEU A 82 -12.315 -21.827 -2.025 1.00 0.00 C ATOM 813 O LEU A 82 -12.035 -20.924 -1.246 1.00 0.00 O ATOM 814 CB LEU A 82 -12.522 -21.278 -4.443 1.00 0.00 C ATOM 815 CG LEU A 82 -11.848 -20.814 -5.747 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.688 -19.850 -5.479 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.352 -21.983 -6.601 1.00 0.00 C ATOM 0 H LEU A 82 -11.669 -23.649 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.679 -21.311 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.283 -22.015 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.039 -20.424 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.623 -20.289 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.240 -19.547 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.060 -18.969 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.937 -20.347 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.885 -21.599 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.623 -22.563 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.194 -22.621 -6.869 1.00 0.00 H new ATOM 829 N GLU A 83 -13.201 -22.790 -1.740 1.00 0.00 N ATOM 830 CA GLU A 83 -13.879 -22.798 -0.453 1.00 0.00 C ATOM 831 C GLU A 83 -12.840 -22.932 0.652 1.00 0.00 C ATOM 832 O GLU A 83 -12.872 -22.125 1.565 1.00 0.00 O ATOM 833 CB GLU A 83 -15.022 -23.833 -0.382 1.00 0.00 C ATOM 834 CG GLU A 83 -14.592 -25.299 -0.258 1.00 0.00 C ATOM 835 CD GLU A 83 -15.795 -26.252 -0.151 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.381 -26.627 -1.197 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.154 -26.628 0.995 1.00 0.00 O ATOM 0 H GLU A 83 -13.455 -23.551 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.394 -21.848 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.656 -23.587 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.636 -23.729 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.990 -25.573 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.958 -25.417 0.621 1.00 0.00 H new ATOM 844 N ALA A 84 -11.875 -23.857 0.564 1.00 0.00 N ATOM 845 CA ALA A 84 -10.894 -24.066 1.631 1.00 0.00 C ATOM 846 C ALA A 84 -10.038 -22.818 1.859 1.00 0.00 C ATOM 847 O ALA A 84 -9.798 -22.443 3.007 1.00 0.00 O ATOM 848 CB ALA A 84 -10.024 -25.279 1.310 1.00 0.00 C ATOM 0 H ALA A 84 -11.755 -24.474 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.433 -24.258 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.297 -25.427 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.653 -26.165 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.500 -25.112 0.369 1.00 0.00 H new ATOM 854 N TYR A 85 -9.633 -22.139 0.783 1.00 0.00 N ATOM 855 CA TYR A 85 -8.979 -20.843 0.880 1.00 0.00 C ATOM 856 C TYR A 85 -9.863 -19.856 1.657 1.00 0.00 C ATOM 857 O TYR A 85 -9.395 -19.250 2.619 1.00 0.00 O ATOM 858 CB TYR A 85 -8.639 -20.346 -0.531 1.00 0.00 C ATOM 859 CG TYR A 85 -8.233 -18.892 -0.565 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.968 -18.509 -0.089 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.125 -17.926 -1.060 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.578 -17.161 -0.089 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.741 -16.571 -1.070 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.471 -16.180 -0.583 1.00 0.00 C ATOM 865 OH TYR A 85 -7.115 -14.864 -0.588 1.00 0.00 O ATOM 0 H TYR A 85 -9.751 -22.475 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.047 -20.931 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.830 -20.953 -0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.503 -20.491 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.287 -19.261 0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.096 -18.220 -1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.606 -16.875 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.421 -15.824 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.559 -14.408 -1.333 1.00 0.00 H new ATOM 875 N LEU A 86 -11.151 -19.739 1.305 1.00 0.00 N ATOM 876 CA LEU A 86 -12.087 -18.840 1.985 1.00 0.00 C ATOM 877 C LEU A 86 -12.345 -19.244 3.450 1.00 0.00 C ATOM 878 O LEU A 86 -12.456 -18.368 4.306 1.00 0.00 O ATOM 879 CB LEU A 86 -13.397 -18.773 1.185 1.00 0.00 C ATOM 880 CG LEU A 86 -13.243 -18.103 -0.195 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.356 -18.556 -1.139 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.268 -16.579 -0.055 1.00 0.00 C ATOM 0 H LEU A 86 -11.571 -20.267 0.540 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.633 -17.850 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.782 -19.784 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.140 -18.225 1.765 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.283 -18.404 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.231 -18.073 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.309 -19.638 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.324 -18.281 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.158 -16.121 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.216 -16.270 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.448 -16.259 0.588 1.00 0.00 H new ATOM 894 N ARG A 87 -12.390 -20.545 3.775 1.00 0.00 N ATOM 895 CA ARG A 87 -12.446 -21.035 5.173 1.00 0.00 C ATOM 896 C ARG A 87 -11.234 -20.524 5.959 1.00 0.00 C ATOM 897 O ARG A 87 -11.356 -20.238 7.147 1.00 0.00 O ATOM 898 CB ARG A 87 -12.442 -22.584 5.294 1.00 0.00 C ATOM 899 CG ARG A 87 -13.775 -23.353 5.189 1.00 0.00 C ATOM 900 CD ARG A 87 -14.269 -23.486 3.745 1.00 0.00 C ATOM 901 NE ARG A 87 -15.186 -24.611 3.472 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.388 -24.892 3.996 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.890 -24.206 5.021 1.00 0.00 N ATOM 904 NH2 ARG A 87 -17.095 -25.881 3.471 1.00 0.00 N ATOM 0 H ARG A 87 -12.389 -21.292 3.081 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.388 -20.658 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.779 -22.971 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.993 -22.836 6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.651 -24.347 5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.533 -22.841 5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.771 -22.559 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.401 -23.585 3.093 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.853 -25.278 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.357 -23.440 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.808 -24.447 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.723 -26.412 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.012 -26.112 3.854 1.00 0.00 H new ATOM 918 N SER A 88 -10.078 -20.427 5.306 1.00 0.00 N ATOM 919 CA SER A 88 -8.785 -20.158 5.928 1.00 0.00 C ATOM 920 C SER A 88 -8.484 -18.659 6.133 1.00 0.00 C ATOM 921 O SER A 88 -7.350 -18.313 6.466 1.00 0.00 O ATOM 922 CB SER A 88 -7.701 -20.875 5.121 1.00 0.00 C ATOM 923 OG SER A 88 -8.001 -22.263 5.034 1.00 0.00 O ATOM 0 H SER A 88 -10.014 -20.538 4.294 1.00 0.00 H new ATOM 0 HA SER A 88 -8.807 -20.553 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.635 -20.445 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.729 -20.733 5.594 1.00 0.00 H new ATOM 0 HG SER A 88 -8.616 -22.419 4.287 1.00 0.00 H new ATOM 929 N VAL A 89 -9.471 -17.766 5.966 1.00 0.00 N ATOM 930 CA VAL A 89 -9.331 -16.322 6.203 1.00 0.00 C ATOM 931 C VAL A 89 -10.436 -15.800 7.161 1.00 0.00 C ATOM 932 O VAL A 89 -10.989 -14.720 6.939 1.00 0.00 O ATOM 933 CB VAL A 89 -9.191 -15.629 4.817 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.337 -15.963 3.850 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.970 -14.111 4.857 1.00 0.00 C ATOM 0 H VAL A 89 -10.406 -18.032 5.657 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.425 -16.068 6.753 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.268 -16.064 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.176 -15.447 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.365 -17.039 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.284 -15.641 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.886 -13.729 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.814 -13.634 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.053 -13.891 5.404 1.00 0.00 H new ATOM 945 N PRO A 90 -10.782 -16.505 8.261 1.00 0.00 N ATOM 946 CA PRO A 90 -11.956 -16.173 9.071 1.00 0.00 C ATOM 947 C PRO A 90 -11.803 -14.857 9.855 1.00 0.00 C ATOM 948 O PRO A 90 -12.798 -14.300 10.321 1.00 0.00 O ATOM 949 CB PRO A 90 -12.149 -17.370 10.006 1.00 0.00 C ATOM 950 CG PRO A 90 -10.719 -17.856 10.238 1.00 0.00 C ATOM 951 CD PRO A 90 -10.037 -17.589 8.898 1.00 0.00 C ATOM 0 HA PRO A 90 -12.825 -16.001 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.633 -17.080 10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.769 -18.142 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.236 -17.313 11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.691 -18.914 10.500 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.993 -17.309 9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.044 -18.483 8.274 1.00 0.00 H new ATOM 959 N ALA A 91 -10.571 -14.350 10.015 1.00 0.00 N ATOM 960 CA ALA A 91 -10.309 -13.097 10.723 1.00 0.00 C ATOM 961 C ALA A 91 -10.559 -11.865 9.844 1.00 0.00 C ATOM 962 O ALA A 91 -10.489 -10.743 10.347 1.00 0.00 O ATOM 963 CB ALA A 91 -8.858 -13.107 11.227 1.00 0.00 C ATOM 0 H ALA A 91 -9.730 -14.801 9.655 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.002 -13.028 11.561 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.650 -12.177 11.757 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.713 -13.950 11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.179 -13.201 10.379 1.00 0.00 H new ATOM 969 N VAL A 92 -10.815 -12.047 8.539 1.00 0.00 N ATOM 970 CA VAL A 92 -10.899 -10.954 7.567 1.00 0.00 C ATOM 971 C VAL A 92 -12.132 -11.137 6.662 1.00 0.00 C ATOM 972 O VAL A 92 -12.698 -10.160 6.171 1.00 0.00 O ATOM 973 CB VAL A 92 -9.573 -10.879 6.768 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.462 -9.578 5.973 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.298 -11.003 7.624 1.00 0.00 C ATOM 0 H VAL A 92 -10.971 -12.968 8.128 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.030 -10.001 8.080 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.627 -11.744 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.519 -9.565 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.290 -9.511 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.498 -8.730 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.420 -10.940 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.271 -10.195 8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.299 -11.962 8.142 1.00 0.00 H new ATOM 985 N VAL A 93 -12.596 -12.371 6.471 1.00 0.00 N ATOM 986 CA VAL A 93 -13.638 -12.776 5.531 1.00 0.00 C ATOM 987 C VAL A 93 -14.579 -13.737 6.269 1.00 0.00 C ATOM 988 O VAL A 93 -14.266 -14.256 7.341 1.00 0.00 O ATOM 989 CB VAL A 93 -12.924 -13.375 4.292 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.755 -14.238 3.326 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.239 -12.250 3.498 1.00 0.00 C ATOM 0 H VAL A 93 -12.232 -13.162 7.001 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.261 -11.958 5.169 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.219 -14.082 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.120 -14.585 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.160 -15.097 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.574 -13.644 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.737 -12.672 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.987 -11.528 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.506 -11.751 4.132 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.764 -13.944 5.704 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.859 -14.727 6.273 1.00 0.00 C ATOM 1003 C ARG A 94 -17.482 -15.495 5.121 1.00 0.00 C ATOM 1004 O ARG A 94 -17.392 -15.046 3.983 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.820 -13.755 6.989 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.215 -14.313 7.340 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.006 -13.385 8.279 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.037 -11.986 7.799 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.218 -10.900 8.565 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.719 -11.011 9.793 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -19.891 -9.705 8.088 1.00 0.00 N ATOM 0 H ARG A 94 -16.000 -13.552 4.792 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.547 -15.452 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.344 -13.418 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.951 -12.876 6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.783 -14.464 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.103 -15.290 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.027 -13.755 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.561 -13.415 9.274 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.910 -11.834 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.970 -11.929 10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.852 -10.178 10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.506 -9.619 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.025 -8.873 8.662 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.123 -16.628 5.380 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.757 -17.435 4.347 1.00 0.00 C ATOM 1027 C ILE A 95 -20.045 -18.055 4.892 1.00 0.00 C ATOM 1028 O ILE A 95 -20.155 -18.305 6.092 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.782 -18.508 3.806 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.256 -19.473 4.886 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.600 -17.874 3.052 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.317 -20.557 4.349 1.00 0.00 C ATOM 0 H ILE A 95 -18.218 -17.015 6.319 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.020 -16.795 3.505 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.376 -19.102 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.731 -18.897 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.104 -19.951 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.938 -18.659 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.975 -17.295 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.049 -17.218 3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.991 -21.195 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.843 -21.160 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.448 -20.089 3.886 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.987 -18.343 3.996 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.208 -19.085 4.275 1.00 0.00 C ATOM 1046 C GLU A 96 -22.297 -20.182 3.210 1.00 0.00 C ATOM 1047 O GLU A 96 -22.619 -19.913 2.051 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.438 -18.154 4.244 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.460 -17.093 5.360 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.522 -17.667 6.793 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -24.015 -18.804 6.996 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -23.078 -16.972 7.741 1.00 0.00 O ATOM 0 H GLU A 96 -20.915 -18.054 3.020 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.190 -19.522 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.472 -17.649 3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.340 -18.761 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.569 -16.472 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.320 -16.441 5.206 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.951 -21.415 3.587 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.182 -22.591 2.759 1.00 0.00 C ATOM 1061 C ALA A 97 -23.669 -22.955 2.873 1.00 0.00 C ATOM 1062 O ALA A 97 -24.180 -23.202 3.971 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.276 -23.741 3.208 1.00 0.00 C ATOM 0 H ALA A 97 -21.501 -21.622 4.479 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.939 -22.389 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.458 -24.614 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.233 -23.440 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.491 -23.989 4.247 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.464 -22.031 -1.808 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.009 -21.159 -0.732 1.00 0.00 C ATOM 1139 C ILE A 103 -21.009 -19.730 -1.242 1.00 0.00 C ATOM 1140 O ILE A 103 -20.572 -19.466 -2.361 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.679 -21.660 -0.107 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.040 -20.654 0.873 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.627 -22.202 -1.088 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.112 -19.614 0.229 1.00 0.00 C ATOM 0 HA ILE A 103 -21.695 -21.185 0.114 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.017 -22.528 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.836 -20.129 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.474 -21.209 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.744 -22.521 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.040 -23.051 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.350 -21.419 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.714 -18.955 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.289 -20.122 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.673 -19.026 -0.497 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.488 -18.824 -0.397 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.543 -17.391 -0.627 1.00 0.00 C ATOM 1158 C VAL A 104 -20.494 -16.782 0.302 1.00 0.00 C ATOM 1159 O VAL A 104 -20.372 -17.197 1.453 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.973 -16.875 -0.323 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.141 -15.440 -0.845 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.074 -17.763 -0.933 1.00 0.00 C ATOM 0 H VAL A 104 -21.867 -19.086 0.513 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.331 -17.117 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.087 -16.904 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.149 -15.089 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.416 -14.788 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.977 -15.423 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.052 -17.351 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.957 -17.795 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.993 -18.772 -0.529 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.716 -15.830 -0.202 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.597 -15.233 0.513 1.00 0.00 C ATOM 1174 C CYS A 105 -18.969 -13.819 0.943 1.00 0.00 C ATOM 1175 O CYS A 105 -19.690 -13.146 0.210 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.374 -15.187 -0.418 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.216 -16.702 -1.411 1.00 0.00 S ATOM 0 H CYS A 105 -19.849 -15.445 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.361 -15.827 1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.455 -14.326 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.471 -15.047 0.176 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.090 -16.683 -2.373 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.421 -13.353 2.065 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.690 -12.053 2.677 1.00 0.00 C ATOM 1185 C TYR A 106 -17.422 -11.512 3.327 1.00 0.00 C ATOM 1186 O TYR A 106 -16.454 -12.244 3.508 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.754 -12.224 3.765 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.113 -12.596 3.237 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.928 -11.607 2.660 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.552 -13.929 3.328 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.221 -11.931 2.234 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.832 -14.271 2.866 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.684 -13.269 2.330 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.946 -13.572 1.908 1.00 0.00 O ATOM 0 H TYR A 106 -17.744 -13.899 2.598 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.034 -11.361 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.424 -12.992 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.836 -11.294 4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.557 -10.599 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.907 -14.685 3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.866 -11.163 1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.169 -15.296 2.918 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.114 -14.529 2.038 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.428 -10.241 3.713 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.303 -9.620 4.404 1.00 0.00 C ATOM 1206 C ALA A 107 -16.481 -9.727 5.914 1.00 0.00 C ATOM 1207 O ALA A 107 -17.579 -10.012 6.396 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.237 -8.144 4.020 1.00 0.00 C ATOM 0 H ALA A 107 -18.214 -9.611 3.555 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.385 -10.132 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.399 -7.672 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.101 -8.054 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.164 -7.651 4.311 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.416 -9.406 6.649 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.461 -9.266 8.109 1.00 0.00 C ATOM 1216 C VAL A 108 -14.639 -8.085 8.663 1.00 0.00 C ATOM 1217 O VAL A 108 -15.105 -7.462 9.622 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.115 -10.634 8.755 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -13.999 -10.639 9.811 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.370 -11.246 9.390 1.00 0.00 C ATOM 0 H VAL A 108 -14.493 -9.235 6.249 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.478 -8.993 8.393 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.731 -11.219 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -13.855 -11.653 10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.072 -10.282 9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.277 -9.985 10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.118 -12.206 9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.754 -10.574 10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.131 -11.394 8.623 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.471 -7.737 8.099 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.588 -6.715 8.684 1.00 0.00 C ATOM 1232 C ALA A 109 -11.839 -5.944 7.602 1.00 0.00 C ATOM 1233 O ALA A 109 -12.009 -4.706 7.519 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.587 -7.359 9.651 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.102 -6.563 6.813 1.00 0.00 O ATOM 0 H ALA A 109 -13.116 -8.150 7.236 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.215 -6.013 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.942 -6.588 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.128 -7.861 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.978 -8.086 9.114 1.00 0.00 H new