USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 88:sc= 0.144 USER MOD Set 1.2: A 85 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.01 K(o=2.1,f=-0.16) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.737) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0.99 (180deg=0.949) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 73:sc= 0.0613 USER MOD Single : A 51 HIS : no HD1:sc= 0.796 K(o=0.8,f=-4.1!) USER MOD Single : A 53 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.054) USER MOD Single : A 61 GLN : amide:sc= 0.983 K(o=0.98,f=-5.1!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.0762 USER MOD Single : A 66 SER OG : rot 67:sc= 0.174 USER MOD Single : A 68 THR OG1 : rot -164:sc= 0.58 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.867! C(o=-0.87!,f=-9.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.146 USER MOD Single : A 88 SER OG : rot 81:sc= 1.26 USER MOD Single : A 105 CYS SG : rot 71:sc= -1.34! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.818 -7.748 0.307 1.00 0.00 N ATOM 45 CA LEU A 35 3.337 -9.108 0.107 1.00 0.00 C ATOM 46 C LEU A 35 2.236 -9.902 -0.602 1.00 0.00 C ATOM 47 O LEU A 35 1.074 -9.518 -0.494 1.00 0.00 O ATOM 48 CB LEU A 35 3.688 -9.773 1.462 1.00 0.00 C ATOM 49 CG LEU A 35 5.023 -9.361 2.124 1.00 0.00 C ATOM 50 CD1 LEU A 35 6.237 -9.691 1.246 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.072 -7.882 2.526 1.00 0.00 C ATOM 0 HA LEU A 35 4.252 -9.084 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.882 -9.557 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.702 -10.853 1.315 1.00 0.00 H new ATOM 0 HG LEU A 35 5.073 -9.957 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.150 -9.382 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.271 -10.765 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.154 -9.161 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.036 -7.661 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.940 -7.260 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.275 -7.672 3.239 1.00 0.00 H new ATOM 63 N GLU A 36 2.546 -11.008 -1.292 1.00 0.00 N ATOM 64 CA GLU A 36 1.564 -11.672 -2.158 1.00 0.00 C ATOM 65 C GLU A 36 0.327 -12.095 -1.375 1.00 0.00 C ATOM 66 O GLU A 36 -0.792 -11.814 -1.795 1.00 0.00 O ATOM 67 CB GLU A 36 2.187 -12.867 -2.899 1.00 0.00 C ATOM 68 CG GLU A 36 1.193 -13.551 -3.853 1.00 0.00 C ATOM 69 CD GLU A 36 1.896 -14.621 -4.705 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.450 -14.279 -5.780 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.904 -15.812 -4.308 1.00 0.00 O ATOM 0 H GLU A 36 3.461 -11.458 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 36 1.248 -10.946 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.054 -12.527 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.547 -13.594 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.388 -14.009 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.736 -12.805 -4.503 1.00 0.00 H new ATOM 78 N ALA A 37 0.516 -12.720 -0.213 1.00 0.00 N ATOM 79 CA ALA A 37 -0.614 -13.234 0.553 1.00 0.00 C ATOM 80 C ALA A 37 -1.440 -12.078 1.130 1.00 0.00 C ATOM 81 O ALA A 37 -2.669 -12.137 1.143 1.00 0.00 O ATOM 82 CB ALA A 37 -0.148 -14.200 1.645 1.00 0.00 C ATOM 0 H ALA A 37 1.429 -12.880 0.212 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.258 -13.800 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.012 -14.567 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.374 -15.041 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.526 -13.681 2.326 1.00 0.00 H new ATOM 88 N ASP A 38 -0.776 -11.005 1.573 1.00 0.00 N ATOM 89 CA ASP A 38 -1.465 -9.830 2.098 1.00 0.00 C ATOM 90 C ASP A 38 -2.226 -9.098 0.987 1.00 0.00 C ATOM 91 O ASP A 38 -3.349 -8.646 1.210 1.00 0.00 O ATOM 92 CB ASP A 38 -0.471 -8.892 2.788 1.00 0.00 C ATOM 93 CG ASP A 38 -1.215 -7.827 3.608 1.00 0.00 C ATOM 94 OD1 ASP A 38 -2.001 -8.189 4.515 1.00 0.00 O ATOM 95 OD2 ASP A 38 -1.022 -6.613 3.367 1.00 0.00 O ATOM 0 H ASP A 38 0.241 -10.930 1.577 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.194 -10.163 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.188 -9.466 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.160 -8.409 2.042 1.00 0.00 H new ATOM 100 N LEU A 39 -1.646 -9.039 -0.222 1.00 0.00 N ATOM 101 CA LEU A 39 -2.254 -8.440 -1.403 1.00 0.00 C ATOM 102 C LEU A 39 -3.568 -9.122 -1.701 1.00 0.00 C ATOM 103 O LEU A 39 -4.602 -8.454 -1.786 1.00 0.00 O ATOM 104 CB LEU A 39 -1.299 -8.519 -2.615 1.00 0.00 C ATOM 105 CG LEU A 39 -1.851 -7.897 -3.921 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.688 -7.368 -4.768 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.657 -8.876 -4.789 1.00 0.00 C ATOM 0 H LEU A 39 -0.717 -9.419 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.445 -7.385 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.366 -8.018 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.058 -9.565 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.528 -7.102 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.077 -6.930 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.145 -6.608 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.014 -8.189 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.009 -8.364 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.023 -9.715 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.512 -9.245 -4.223 1.00 0.00 H new ATOM 119 N VAL A 40 -3.527 -10.443 -1.865 1.00 0.00 N ATOM 120 CA VAL A 40 -4.704 -11.172 -2.292 1.00 0.00 C ATOM 121 C VAL A 40 -5.772 -11.082 -1.204 1.00 0.00 C ATOM 122 O VAL A 40 -6.915 -10.781 -1.534 1.00 0.00 O ATOM 123 CB VAL A 40 -4.345 -12.601 -2.757 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.357 -12.526 -3.933 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.773 -13.478 -1.640 1.00 0.00 C ATOM 0 H VAL A 40 -2.699 -11.018 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.139 -10.715 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.274 -13.076 -3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.104 -13.534 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.814 -11.980 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.451 -12.010 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.543 -14.467 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.863 -13.023 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.505 -13.569 -0.838 1.00 0.00 H new ATOM 135 N SER A 41 -5.419 -11.219 0.078 1.00 0.00 N ATOM 136 CA SER A 41 -6.384 -11.135 1.163 1.00 0.00 C ATOM 137 C SER A 41 -6.998 -9.739 1.299 1.00 0.00 C ATOM 138 O SER A 41 -8.217 -9.654 1.443 1.00 0.00 O ATOM 139 CB SER A 41 -5.737 -11.599 2.472 1.00 0.00 C ATOM 140 OG SER A 41 -5.387 -12.970 2.352 1.00 0.00 O ATOM 0 H SER A 41 -4.461 -11.390 0.385 1.00 0.00 H new ATOM 0 HA SER A 41 -7.213 -11.802 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.851 -11.001 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.427 -11.458 3.304 1.00 0.00 H new ATOM 0 HG SER A 41 -4.492 -13.046 1.960 1.00 0.00 H new ATOM 146 N LYS A 42 -6.233 -8.642 1.210 1.00 0.00 N ATOM 147 CA LYS A 42 -6.815 -7.298 1.290 1.00 0.00 C ATOM 148 C LYS A 42 -7.696 -7.032 0.079 1.00 0.00 C ATOM 149 O LYS A 42 -8.787 -6.503 0.258 1.00 0.00 O ATOM 150 CB LYS A 42 -5.728 -6.218 1.394 1.00 0.00 C ATOM 151 CG LYS A 42 -5.217 -6.047 2.835 1.00 0.00 C ATOM 152 CD LYS A 42 -4.191 -4.904 2.877 1.00 0.00 C ATOM 153 CE LYS A 42 -3.786 -4.443 4.283 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.990 -5.458 5.020 1.00 0.00 N ATOM 0 H LYS A 42 -5.221 -8.659 1.084 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.422 -7.254 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.894 -6.480 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.126 -5.268 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.049 -5.829 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.761 -6.974 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.295 -5.221 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.599 -4.051 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.208 -3.522 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.684 -4.208 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.703 -5.071 5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.566 -6.311 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.143 -5.703 4.468 1.00 0.00 H new ATOM 168 N MET A 43 -7.276 -7.392 -1.135 1.00 0.00 N ATOM 169 CA MET A 43 -8.100 -7.130 -2.316 1.00 0.00 C ATOM 170 C MET A 43 -9.362 -7.994 -2.301 1.00 0.00 C ATOM 171 O MET A 43 -10.450 -7.471 -2.528 1.00 0.00 O ATOM 172 CB MET A 43 -7.277 -7.298 -3.596 1.00 0.00 C ATOM 173 CG MET A 43 -6.258 -6.154 -3.745 1.00 0.00 C ATOM 174 SD MET A 43 -5.449 -6.070 -5.364 1.00 0.00 S ATOM 175 CE MET A 43 -4.325 -4.674 -5.120 1.00 0.00 C ATOM 0 H MET A 43 -6.388 -7.857 -1.325 1.00 0.00 H new ATOM 0 HA MET A 43 -8.435 -6.093 -2.292 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.756 -8.255 -3.575 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.940 -7.315 -4.461 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.764 -5.207 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.493 -6.264 -2.977 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.757 -4.500 -6.034 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.901 -3.781 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.639 -4.898 -4.303 1.00 0.00 H new ATOM 185 N LEU A 44 -9.255 -9.278 -1.937 1.00 0.00 N ATOM 186 CA LEU A 44 -10.386 -10.173 -1.669 1.00 0.00 C ATOM 187 C LEU A 44 -11.367 -9.477 -0.739 1.00 0.00 C ATOM 188 O LEU A 44 -12.526 -9.260 -1.083 1.00 0.00 O ATOM 189 CB LEU A 44 -9.825 -11.465 -1.026 1.00 0.00 C ATOM 190 CG LEU A 44 -10.856 -12.412 -0.401 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.628 -13.135 -1.498 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.163 -13.427 0.507 1.00 0.00 C ATOM 0 H LEU A 44 -8.351 -9.736 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.917 -10.427 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.272 -12.015 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.109 -11.181 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.553 -11.826 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.359 -13.806 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.143 -12.405 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.935 -13.712 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.908 -14.093 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.452 -14.011 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.635 -12.902 1.303 1.00 0.00 H new ATOM 204 N ARG A 45 -10.872 -9.079 0.433 1.00 0.00 N ATOM 205 CA ARG A 45 -11.628 -8.360 1.441 1.00 0.00 C ATOM 206 C ARG A 45 -12.283 -7.124 0.851 1.00 0.00 C ATOM 207 O ARG A 45 -13.453 -6.893 1.126 1.00 0.00 O ATOM 208 CB ARG A 45 -10.659 -8.072 2.591 1.00 0.00 C ATOM 209 CG ARG A 45 -11.080 -6.974 3.562 1.00 0.00 C ATOM 210 CD ARG A 45 -10.527 -5.585 3.205 1.00 0.00 C ATOM 211 NE ARG A 45 -10.410 -4.819 4.446 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.332 -3.504 4.636 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.177 -2.657 3.620 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.416 -3.068 5.884 1.00 0.00 N ATOM 0 H ARG A 45 -9.906 -9.256 0.709 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.463 -8.946 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.513 -8.993 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.692 -7.802 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.169 -6.925 3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.746 -7.241 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.556 -5.674 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.190 -5.078 2.504 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.384 -5.380 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.115 -3.011 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.120 -1.654 3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.535 -3.732 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.361 -2.068 6.080 1.00 0.00 H new ATOM 228 N ALA A 46 -11.575 -6.333 0.049 1.00 0.00 N ATOM 229 CA ALA A 46 -12.121 -5.084 -0.446 1.00 0.00 C ATOM 230 C ALA A 46 -13.292 -5.339 -1.394 1.00 0.00 C ATOM 231 O ALA A 46 -14.322 -4.681 -1.260 1.00 0.00 O ATOM 232 CB ALA A 46 -11.023 -4.254 -1.117 1.00 0.00 C ATOM 0 H ALA A 46 -10.627 -6.538 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.506 -4.512 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.447 -3.319 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.237 -4.037 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.602 -4.814 -1.952 1.00 0.00 H new ATOM 238 N VAL A 47 -13.180 -6.324 -2.292 1.00 0.00 N ATOM 239 CA VAL A 47 -14.285 -6.700 -3.170 1.00 0.00 C ATOM 240 C VAL A 47 -15.480 -7.119 -2.306 1.00 0.00 C ATOM 241 O VAL A 47 -16.602 -6.671 -2.526 1.00 0.00 O ATOM 242 CB VAL A 47 -13.837 -7.816 -4.135 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.984 -8.338 -5.003 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.740 -7.305 -5.080 1.00 0.00 C ATOM 0 H VAL A 47 -12.332 -6.874 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.591 -5.854 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.469 -8.626 -3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.613 -9.122 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.769 -8.743 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.389 -7.521 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.437 -8.107 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.123 -6.467 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.880 -6.977 -4.496 1.00 0.00 H new ATOM 254 N LEU A 48 -15.237 -7.938 -1.280 1.00 0.00 N ATOM 255 CA LEU A 48 -16.290 -8.416 -0.391 1.00 0.00 C ATOM 256 C LEU A 48 -16.942 -7.261 0.383 1.00 0.00 C ATOM 257 O LEU A 48 -18.151 -7.290 0.604 1.00 0.00 O ATOM 258 CB LEU A 48 -15.703 -9.443 0.585 1.00 0.00 C ATOM 259 CG LEU A 48 -15.211 -10.729 -0.091 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.236 -11.430 0.846 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.377 -11.669 -0.374 1.00 0.00 C ATOM 0 H LEU A 48 -14.307 -8.285 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.066 -8.884 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.872 -8.986 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.460 -9.700 1.326 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.728 -10.471 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.877 -12.347 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.391 -10.772 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.741 -11.673 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.006 -12.575 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.870 -11.930 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.090 -11.175 -1.034 1.00 0.00 H new ATOM 273 N GLN A 49 -16.163 -6.257 0.802 1.00 0.00 N ATOM 274 CA GLN A 49 -16.676 -5.091 1.514 1.00 0.00 C ATOM 275 C GLN A 49 -17.589 -4.261 0.609 1.00 0.00 C ATOM 276 O GLN A 49 -18.612 -3.773 1.095 1.00 0.00 O ATOM 277 CB GLN A 49 -15.526 -4.230 2.076 1.00 0.00 C ATOM 278 CG GLN A 49 -14.894 -4.797 3.366 1.00 0.00 C ATOM 279 CD GLN A 49 -15.816 -4.762 4.591 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.927 -4.234 4.560 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.378 -5.333 5.705 1.00 0.00 N ATOM 0 H GLN A 49 -15.154 -6.235 0.654 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.267 -5.447 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.751 -4.134 1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.901 -3.227 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.590 -5.828 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.989 -4.233 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.456 -5.769 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.963 -5.336 6.541 1.00 0.00 H new ATOM 290 N SER A 50 -17.269 -4.124 -0.682 1.00 0.00 N ATOM 291 CA SER A 50 -18.155 -3.477 -1.640 1.00 0.00 C ATOM 292 C SER A 50 -19.420 -4.312 -1.879 1.00 0.00 C ATOM 293 O SER A 50 -20.519 -3.760 -1.977 1.00 0.00 O ATOM 294 CB SER A 50 -17.405 -3.275 -2.964 1.00 0.00 C ATOM 295 OG SER A 50 -16.208 -2.524 -2.767 1.00 0.00 O ATOM 0 H SER A 50 -16.393 -4.458 -1.085 1.00 0.00 H new ATOM 0 HA SER A 50 -18.462 -2.513 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.162 -4.244 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.049 -2.758 -3.675 1.00 0.00 H new ATOM 0 HG SER A 50 -15.539 -3.085 -2.322 1.00 0.00 H new ATOM 301 N HIS A 51 -19.283 -5.641 -1.912 1.00 0.00 N ATOM 302 CA HIS A 51 -20.331 -6.559 -2.344 1.00 0.00 C ATOM 303 C HIS A 51 -21.031 -7.172 -1.128 1.00 0.00 C ATOM 304 O HIS A 51 -20.962 -8.382 -0.916 1.00 0.00 O ATOM 305 CB HIS A 51 -19.732 -7.602 -3.304 1.00 0.00 C ATOM 306 CG HIS A 51 -19.203 -7.039 -4.609 1.00 0.00 C ATOM 307 ND1 HIS A 51 -19.000 -5.692 -4.934 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.850 -7.800 -5.682 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.519 -5.687 -6.191 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.433 -6.937 -6.668 1.00 0.00 N ATOM 0 H HIS A 51 -18.423 -6.114 -1.633 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.104 -6.026 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.921 -8.121 -2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.495 -8.347 -3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.890 -8.877 -5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.241 -4.799 -6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.114 -7.202 -7.600 1.00 0.00 H new ATOM 318 N LYS A 52 -21.712 -6.352 -0.315 1.00 0.00 N ATOM 319 CA LYS A 52 -22.387 -6.815 0.910 1.00 0.00 C ATOM 320 C LYS A 52 -23.467 -7.871 0.662 1.00 0.00 C ATOM 321 O LYS A 52 -23.763 -8.647 1.569 1.00 0.00 O ATOM 322 CB LYS A 52 -23.005 -5.637 1.684 1.00 0.00 C ATOM 323 CG LYS A 52 -21.995 -4.674 2.320 1.00 0.00 C ATOM 324 CD LYS A 52 -20.965 -5.384 3.217 1.00 0.00 C ATOM 325 CE LYS A 52 -20.292 -4.452 4.247 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.732 -3.205 3.656 1.00 0.00 N ATOM 0 H LYS A 52 -21.811 -5.351 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.603 -7.286 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.644 -5.072 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.647 -6.036 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.470 -4.135 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.532 -3.932 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.458 -6.200 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.196 -5.831 2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.021 -4.184 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.491 -4.997 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.987 -2.831 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.330 -3.415 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.488 -2.498 3.557 1.00 0.00 H new ATOM 340 N ASN A 53 -24.028 -7.944 -0.550 1.00 0.00 N ATOM 341 CA ASN A 53 -24.952 -9.017 -0.938 1.00 0.00 C ATOM 342 C ASN A 53 -24.283 -10.401 -0.912 1.00 0.00 C ATOM 343 O ASN A 53 -24.974 -11.421 -0.879 1.00 0.00 O ATOM 344 CB ASN A 53 -25.523 -8.720 -2.336 1.00 0.00 C ATOM 345 CG ASN A 53 -26.575 -9.742 -2.764 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.329 -10.576 -3.634 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.763 -9.708 -2.177 1.00 0.00 N ATOM 0 H ASN A 53 -23.855 -7.262 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.760 -9.044 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.965 -7.724 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.711 -8.712 -3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.484 -10.378 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.956 -9.012 -1.457 1.00 0.00 H new ATOM 354 N GLY A 54 -22.948 -10.452 -0.887 1.00 0.00 N ATOM 355 CA GLY A 54 -22.159 -11.661 -0.980 1.00 0.00 C ATOM 356 C GLY A 54 -21.920 -12.042 -2.437 1.00 0.00 C ATOM 357 O GLY A 54 -22.558 -11.520 -3.357 1.00 0.00 O ATOM 0 H GLY A 54 -22.375 -9.613 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.203 -11.516 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.671 -12.475 -0.466 1.00 0.00 H new ATOM 361 N ILE A 55 -20.977 -12.960 -2.648 1.00 0.00 N ATOM 362 CA ILE A 55 -20.578 -13.442 -3.969 1.00 0.00 C ATOM 363 C ILE A 55 -20.298 -14.931 -3.835 1.00 0.00 C ATOM 364 O ILE A 55 -19.501 -15.337 -2.996 1.00 0.00 O ATOM 365 CB ILE A 55 -19.370 -12.630 -4.523 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.354 -12.137 -3.463 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.859 -11.419 -5.328 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.248 -11.211 -3.998 1.00 0.00 C ATOM 0 H ILE A 55 -20.458 -13.399 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.370 -13.295 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.836 -13.344 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.898 -11.611 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.886 -13.006 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.001 -10.864 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.469 -11.760 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.455 -10.771 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.589 -10.921 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.672 -11.735 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.699 -10.319 -4.434 1.00 0.00 H new ATOM 380 N VAL A 56 -21.000 -15.752 -4.613 1.00 0.00 N ATOM 381 CA VAL A 56 -20.818 -17.206 -4.664 1.00 0.00 C ATOM 382 C VAL A 56 -19.378 -17.540 -5.065 1.00 0.00 C ATOM 383 O VAL A 56 -18.807 -16.755 -5.808 1.00 0.00 O ATOM 384 CB VAL A 56 -21.867 -17.815 -5.622 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.269 -17.740 -5.012 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.874 -17.163 -7.019 1.00 0.00 C ATOM 0 H VAL A 56 -21.730 -15.419 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.978 -17.647 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.576 -18.857 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.991 -18.174 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.288 -18.294 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.529 -16.698 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.634 -17.639 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.097 -16.100 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.896 -17.288 -7.484 1.00 0.00 H new ATOM 396 N LEU A 57 -18.775 -18.666 -4.658 1.00 0.00 N ATOM 397 CA LEU A 57 -17.338 -18.910 -4.934 1.00 0.00 C ATOM 398 C LEU A 57 -16.877 -18.693 -6.402 1.00 0.00 C ATOM 399 O LEU A 57 -15.777 -18.168 -6.577 1.00 0.00 O ATOM 400 CB LEU A 57 -16.749 -20.187 -4.277 1.00 0.00 C ATOM 401 CG LEU A 57 -16.831 -21.549 -5.018 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.907 -21.655 -6.246 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.406 -22.663 -4.054 1.00 0.00 C ATOM 0 H LEU A 57 -19.243 -19.414 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.871 -18.083 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.696 -19.991 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.242 -20.312 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.862 -21.640 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.025 -22.636 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.171 -20.882 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.871 -21.522 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.460 -23.625 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.384 -22.485 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.072 -22.672 -3.191 1.00 0.00 H new ATOM 415 N PRO A 58 -17.643 -19.000 -7.477 1.00 0.00 N ATOM 416 CA PRO A 58 -17.181 -18.682 -8.836 1.00 0.00 C ATOM 417 C PRO A 58 -17.268 -17.175 -9.128 1.00 0.00 C ATOM 418 O PRO A 58 -16.376 -16.599 -9.746 1.00 0.00 O ATOM 419 CB PRO A 58 -18.054 -19.522 -9.777 1.00 0.00 C ATOM 420 CG PRO A 58 -19.342 -19.750 -8.988 1.00 0.00 C ATOM 421 CD PRO A 58 -18.856 -19.817 -7.541 1.00 0.00 C ATOM 0 HA PRO A 58 -16.127 -18.925 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.248 -18.999 -10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.571 -20.465 -10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.054 -18.939 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.841 -20.671 -9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.616 -19.439 -6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.648 -20.846 -7.248 1.00 0.00 H new ATOM 429 N ARG A 59 -18.303 -16.503 -8.614 1.00 0.00 N ATOM 430 CA ARG A 59 -18.452 -15.048 -8.711 1.00 0.00 C ATOM 431 C ARG A 59 -17.390 -14.354 -7.863 1.00 0.00 C ATOM 432 O ARG A 59 -16.922 -13.283 -8.238 1.00 0.00 O ATOM 433 CB ARG A 59 -19.887 -14.670 -8.303 1.00 0.00 C ATOM 434 CG ARG A 59 -20.241 -13.233 -8.688 1.00 0.00 C ATOM 435 CD ARG A 59 -21.716 -12.908 -8.422 1.00 0.00 C ATOM 436 NE ARG A 59 -22.034 -11.530 -8.843 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.510 -11.132 -10.036 1.00 0.00 C ATOM 438 NH1 ARG A 59 -22.729 -12.010 -11.011 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.768 -9.842 -10.246 1.00 0.00 N ATOM 0 H ARG A 59 -19.067 -16.958 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.296 -14.710 -9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.590 -15.355 -8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.001 -14.794 -7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.612 -12.543 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.021 -13.077 -9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.351 -13.613 -8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.934 -13.028 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.875 -10.797 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -22.536 -13.000 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -23.090 -11.693 -11.911 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.604 -9.162 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -23.129 -9.535 -11.149 1.00 0.00 H new ATOM 453 N LEU A 60 -16.979 -14.973 -6.752 1.00 0.00 N ATOM 454 CA LEU A 60 -15.889 -14.509 -5.909 1.00 0.00 C ATOM 455 C LEU A 60 -14.659 -14.391 -6.787 1.00 0.00 C ATOM 456 O LEU A 60 -14.135 -13.294 -6.904 1.00 0.00 O ATOM 457 CB LEU A 60 -15.653 -15.456 -4.703 1.00 0.00 C ATOM 458 CG LEU A 60 -14.553 -15.057 -3.704 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.127 -15.248 -4.220 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.755 -13.628 -3.213 1.00 0.00 C ATOM 0 H LEU A 60 -17.411 -15.832 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.132 -13.539 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.591 -15.546 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.414 -16.446 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.660 -15.751 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.418 -14.942 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.966 -16.298 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.979 -14.641 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.965 -13.370 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.722 -12.944 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.723 -13.547 -2.718 1.00 0.00 H new ATOM 472 N GLN A 61 -14.251 -15.491 -7.430 1.00 0.00 N ATOM 473 CA GLN A 61 -13.113 -15.516 -8.348 1.00 0.00 C ATOM 474 C GLN A 61 -13.201 -14.397 -9.385 1.00 0.00 C ATOM 475 O GLN A 61 -12.226 -13.671 -9.566 1.00 0.00 O ATOM 476 CB GLN A 61 -13.014 -16.899 -9.032 1.00 0.00 C ATOM 477 CG GLN A 61 -12.107 -17.892 -8.293 1.00 0.00 C ATOM 478 CD GLN A 61 -10.662 -17.789 -8.799 1.00 0.00 C ATOM 479 OE1 GLN A 61 -10.065 -16.722 -8.772 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.053 -18.865 -9.268 1.00 0.00 N ATOM 0 H GLN A 61 -14.708 -16.397 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.206 -15.345 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.014 -17.326 -9.114 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.640 -16.766 -10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.137 -17.692 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.477 -18.907 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.544 -19.759 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.092 -18.801 -9.604 1.00 0.00 H new ATOM 489 N GLY A 62 -14.355 -14.239 -10.040 1.00 0.00 N ATOM 490 CA GLY A 62 -14.529 -13.234 -11.082 1.00 0.00 C ATOM 491 C GLY A 62 -14.279 -11.820 -10.550 1.00 0.00 C ATOM 492 O GLY A 62 -13.424 -11.108 -11.074 1.00 0.00 O ATOM 0 H GLY A 62 -15.187 -14.802 -9.862 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.844 -13.440 -11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.540 -13.298 -11.485 1.00 0.00 H new ATOM 496 N GLU A 63 -14.989 -11.411 -9.493 1.00 0.00 N ATOM 497 CA GLU A 63 -14.927 -10.036 -8.998 1.00 0.00 C ATOM 498 C GLU A 63 -13.582 -9.757 -8.312 1.00 0.00 C ATOM 499 O GLU A 63 -12.986 -8.690 -8.502 1.00 0.00 O ATOM 500 CB GLU A 63 -16.101 -9.787 -8.032 1.00 0.00 C ATOM 501 CG GLU A 63 -17.476 -9.863 -8.709 1.00 0.00 C ATOM 502 CD GLU A 63 -17.657 -8.744 -9.751 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.769 -7.562 -9.348 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.690 -9.041 -10.970 1.00 0.00 O ATOM 0 H GLU A 63 -15.615 -12.017 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.009 -9.351 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.060 -10.520 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.983 -8.804 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.591 -10.833 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.259 -9.788 -7.954 1.00 0.00 H new ATOM 511 N TYR A 64 -13.070 -10.742 -7.561 1.00 0.00 N ATOM 512 CA TYR A 64 -11.717 -10.735 -7.016 1.00 0.00 C ATOM 513 C TYR A 64 -10.738 -10.402 -8.132 1.00 0.00 C ATOM 514 O TYR A 64 -9.972 -9.449 -8.004 1.00 0.00 O ATOM 515 CB TYR A 64 -11.409 -12.101 -6.390 1.00 0.00 C ATOM 516 CG TYR A 64 -9.946 -12.367 -6.141 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.168 -12.951 -7.157 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.359 -12.033 -4.906 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.802 -13.174 -6.946 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.999 -12.289 -4.685 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.215 -12.865 -5.709 1.00 0.00 C ATOM 522 OH TYR A 64 -5.897 -13.126 -5.527 1.00 0.00 O ATOM 0 H TYR A 64 -13.599 -11.578 -7.314 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.624 -9.980 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.944 -12.180 -5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.800 -12.881 -7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.623 -13.227 -8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.957 -11.580 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.196 -13.586 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.551 -12.046 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.370 -12.624 -6.183 1.00 0.00 H new ATOM 532 N ARG A 65 -10.805 -11.146 -9.240 1.00 0.00 N ATOM 533 CA ARG A 65 -9.880 -10.988 -10.341 1.00 0.00 C ATOM 534 C ARG A 65 -10.035 -9.624 -10.998 1.00 0.00 C ATOM 535 O ARG A 65 -9.024 -9.048 -11.404 1.00 0.00 O ATOM 536 CB ARG A 65 -10.057 -12.140 -11.337 1.00 0.00 C ATOM 537 CG ARG A 65 -9.079 -11.961 -12.511 1.00 0.00 C ATOM 538 CD ARG A 65 -8.820 -13.286 -13.203 1.00 0.00 C ATOM 539 NE ARG A 65 -7.621 -13.206 -14.046 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.561 -13.121 -15.383 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.674 -13.096 -16.115 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.376 -13.059 -15.985 1.00 0.00 N ATOM 0 H ARG A 65 -11.506 -11.872 -9.389 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.860 -11.030 -9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.876 -13.094 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.083 -12.162 -11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.488 -11.246 -13.225 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.139 -11.546 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.695 -14.072 -12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.682 -13.558 -13.813 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.726 -13.216 -13.556 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.585 -13.142 -15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.615 -13.031 -17.131 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.520 -13.076 -15.430 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.323 -12.994 -17.002 1.00 0.00 H new ATOM 556 N SER A 66 -11.249 -9.081 -11.094 1.00 0.00 N ATOM 557 CA SER A 66 -11.428 -7.730 -11.596 1.00 0.00 C ATOM 558 C SER A 66 -10.613 -6.720 -10.771 1.00 0.00 C ATOM 559 O SER A 66 -10.066 -5.781 -11.358 1.00 0.00 O ATOM 560 CB SER A 66 -12.912 -7.341 -11.626 1.00 0.00 C ATOM 561 OG SER A 66 -13.665 -8.268 -12.396 1.00 0.00 O ATOM 0 H SER A 66 -12.113 -9.556 -10.832 1.00 0.00 H new ATOM 0 HA SER A 66 -11.055 -7.706 -12.620 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.303 -7.305 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.021 -6.341 -12.045 1.00 0.00 H new ATOM 0 HG SER A 66 -13.675 -9.137 -11.943 1.00 0.00 H new ATOM 567 N LEU A 67 -10.485 -6.908 -9.445 1.00 0.00 N ATOM 568 CA LEU A 67 -9.626 -6.030 -8.645 1.00 0.00 C ATOM 569 C LEU A 67 -8.132 -6.392 -8.740 1.00 0.00 C ATOM 570 O LEU A 67 -7.317 -5.504 -8.994 1.00 0.00 O ATOM 571 CB LEU A 67 -10.093 -5.980 -7.181 1.00 0.00 C ATOM 572 CG LEU A 67 -9.304 -4.960 -6.321 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.325 -3.527 -6.884 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.896 -4.913 -4.910 1.00 0.00 C ATOM 0 H LEU A 67 -10.956 -7.644 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.726 -5.033 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.153 -5.726 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.992 -6.972 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.270 -5.305 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.752 -2.870 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.883 -3.521 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.355 -3.174 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.340 -4.196 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.941 -4.609 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.828 -5.901 -4.454 1.00 0.00 H new ATOM 586 N THR A 68 -7.741 -7.653 -8.519 1.00 0.00 N ATOM 587 CA THR A 68 -6.325 -8.031 -8.397 1.00 0.00 C ATOM 588 C THR A 68 -5.604 -8.103 -9.744 1.00 0.00 C ATOM 589 O THR A 68 -4.400 -7.843 -9.821 1.00 0.00 O ATOM 590 CB THR A 68 -6.213 -9.424 -7.765 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.101 -10.299 -8.435 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.541 -9.422 -6.279 1.00 0.00 C ATOM 0 H THR A 68 -8.389 -8.434 -8.420 1.00 0.00 H new ATOM 0 HA THR A 68 -5.861 -7.257 -7.786 1.00 0.00 H new ATOM 0 HB THR A 68 -5.179 -9.753 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.226 -11.110 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.446 -10.433 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.851 -8.761 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.562 -9.070 -6.132 1.00 0.00 H new ATOM 600 N GLY A 69 -6.327 -8.466 -10.805 1.00 0.00 N ATOM 601 CA GLY A 69 -5.742 -8.811 -12.091 1.00 0.00 C ATOM 602 C GLY A 69 -5.135 -10.223 -12.034 1.00 0.00 C ATOM 603 O GLY A 69 -4.268 -10.539 -12.853 1.00 0.00 O ATOM 0 H GLY A 69 -7.345 -8.528 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.503 -8.765 -12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.972 -8.086 -12.355 1.00 0.00 H new ATOM 607 N ASP A 70 -5.547 -11.071 -11.076 1.00 0.00 N ATOM 608 CA ASP A 70 -5.006 -12.418 -10.860 1.00 0.00 C ATOM 609 C ASP A 70 -6.140 -13.367 -10.470 1.00 0.00 C ATOM 610 O ASP A 70 -7.218 -12.916 -10.091 1.00 0.00 O ATOM 611 CB ASP A 70 -3.949 -12.395 -9.740 1.00 0.00 C ATOM 612 CG ASP A 70 -3.077 -13.670 -9.695 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.090 -14.483 -10.654 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.352 -13.856 -8.686 1.00 0.00 O ATOM 0 H ASP A 70 -6.285 -10.829 -10.415 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.538 -12.763 -11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.304 -11.527 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.450 -12.272 -8.780 1.00 0.00 H new ATOM 619 N TRP A 71 -5.923 -14.674 -10.557 1.00 0.00 N ATOM 620 CA TRP A 71 -6.834 -15.670 -10.008 1.00 0.00 C ATOM 621 C TRP A 71 -6.491 -15.878 -8.530 1.00 0.00 C ATOM 622 O TRP A 71 -5.370 -15.599 -8.094 1.00 0.00 O ATOM 623 CB TRP A 71 -6.685 -16.986 -10.777 1.00 0.00 C ATOM 624 CG TRP A 71 -7.073 -16.924 -12.224 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.249 -17.104 -13.276 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.387 -16.659 -12.801 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.951 -16.977 -14.456 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.279 -16.680 -14.226 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.651 -16.343 -12.262 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.376 -16.421 -15.063 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.747 -16.054 -13.093 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.619 -16.103 -14.493 1.00 0.00 C ATOM 0 H TRP A 71 -5.104 -15.075 -11.014 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.865 -15.330 -10.102 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.648 -17.313 -10.709 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.292 -17.747 -10.286 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.193 -17.317 -13.205 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.540 -17.089 -15.383 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.779 -16.323 -11.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.265 -16.466 -16.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.697 -15.792 -12.652 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.471 -15.898 -15.125 1.00 0.00 H new ATOM 643 N ILE A 72 -7.455 -16.376 -7.752 1.00 0.00 N ATOM 644 CA ILE A 72 -7.256 -16.738 -6.353 1.00 0.00 C ATOM 645 C ILE A 72 -6.088 -17.737 -6.304 1.00 0.00 C ATOM 646 O ILE A 72 -6.132 -18.745 -7.020 1.00 0.00 O ATOM 647 CB ILE A 72 -8.562 -17.347 -5.786 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.692 -16.304 -5.622 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.313 -18.118 -4.479 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.655 -15.472 -4.340 1.00 0.00 C ATOM 0 H ILE A 72 -8.406 -16.540 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.015 -15.870 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.909 -18.063 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.659 -15.625 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.649 -16.824 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.254 -18.529 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.610 -18.930 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.898 -17.442 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.494 -14.776 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.725 -16.132 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.720 -14.914 -4.295 1.00 0.00 H new ATOM 662 N PRO A 73 -5.070 -17.525 -5.455 1.00 0.00 N ATOM 663 CA PRO A 73 -3.914 -18.405 -5.362 1.00 0.00 C ATOM 664 C PRO A 73 -4.210 -19.606 -4.441 1.00 0.00 C ATOM 665 O PRO A 73 -3.378 -19.931 -3.604 1.00 0.00 O ATOM 666 CB PRO A 73 -2.785 -17.491 -4.871 1.00 0.00 C ATOM 667 CG PRO A 73 -3.527 -16.584 -3.904 1.00 0.00 C ATOM 668 CD PRO A 73 -4.856 -16.349 -4.616 1.00 0.00 C ATOM 0 HA PRO A 73 -3.637 -18.872 -6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.989 -18.050 -4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.326 -16.933 -5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.667 -17.057 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.990 -15.651 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.668 -16.227 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.822 -15.440 -5.217 1.00 0.00 H new ATOM 676 N PHE A 74 -5.392 -20.236 -4.508 1.00 0.00 N ATOM 677 CA PHE A 74 -5.807 -21.264 -3.547 1.00 0.00 C ATOM 678 C PHE A 74 -4.808 -22.418 -3.546 1.00 0.00 C ATOM 679 O PHE A 74 -4.104 -22.629 -2.559 1.00 0.00 O ATOM 680 CB PHE A 74 -7.265 -21.724 -3.779 1.00 0.00 C ATOM 681 CG PHE A 74 -7.564 -22.485 -5.058 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.732 -21.814 -6.284 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.674 -23.888 -5.012 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.020 -22.544 -7.452 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.985 -24.612 -6.175 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.153 -23.939 -7.397 1.00 0.00 C ATOM 0 H PHE A 74 -6.086 -20.046 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.800 -20.826 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.558 -22.352 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.904 -20.841 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.640 -20.739 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.519 -24.409 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.139 -22.028 -8.394 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.095 -25.685 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.384 -24.496 -8.293 1.00 0.00 H new ATOM 696 N LYS A 75 -4.679 -23.122 -4.667 1.00 0.00 N ATOM 697 CA LYS A 75 -3.839 -24.309 -4.779 1.00 0.00 C ATOM 698 C LYS A 75 -2.355 -23.934 -4.783 1.00 0.00 C ATOM 699 O LYS A 75 -1.500 -24.740 -4.419 1.00 0.00 O ATOM 700 CB LYS A 75 -4.275 -25.036 -6.063 1.00 0.00 C ATOM 701 CG LYS A 75 -3.958 -26.540 -6.116 1.00 0.00 C ATOM 702 CD LYS A 75 -4.620 -27.351 -4.987 1.00 0.00 C ATOM 703 CE LYS A 75 -4.453 -28.869 -5.175 1.00 0.00 C ATOM 704 NZ LYS A 75 -5.294 -29.426 -6.273 1.00 0.00 N ATOM 0 H LYS A 75 -5.161 -22.881 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.963 -24.970 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.350 -24.905 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.796 -24.552 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.285 -26.938 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.878 -26.677 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.187 -27.057 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.682 -27.108 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.406 -29.089 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.706 -29.373 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.134 -30.451 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.297 -29.246 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.038 -28.970 -7.172 1.00 0.00 H new ATOM 718 N GLN A 76 -2.067 -22.694 -5.169 1.00 0.00 N ATOM 719 CA GLN A 76 -0.746 -22.110 -5.271 1.00 0.00 C ATOM 720 C GLN A 76 -0.199 -21.842 -3.855 1.00 0.00 C ATOM 721 O GLN A 76 0.963 -22.154 -3.579 1.00 0.00 O ATOM 722 CB GLN A 76 -0.836 -20.827 -6.130 1.00 0.00 C ATOM 723 CG GLN A 76 -1.446 -21.006 -7.547 1.00 0.00 C ATOM 724 CD GLN A 76 -2.975 -20.819 -7.643 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.742 -21.373 -6.865 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.491 -20.035 -8.575 1.00 0.00 N ATOM 0 H GLN A 76 -2.799 -22.035 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.049 -22.789 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.431 -20.091 -5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.166 -20.412 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.968 -20.295 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.197 -22.004 -7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.879 -19.560 -9.238 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.501 -19.906 -8.631 1.00 0.00 H new ATOM 735 N LEU A 77 -1.035 -21.327 -2.941 1.00 0.00 N ATOM 736 CA LEU A 77 -0.722 -21.188 -1.513 1.00 0.00 C ATOM 737 C LEU A 77 -0.835 -22.538 -0.793 1.00 0.00 C ATOM 738 O LEU A 77 -0.151 -22.736 0.216 1.00 0.00 O ATOM 739 CB LEU A 77 -1.618 -20.131 -0.844 1.00 0.00 C ATOM 740 CG LEU A 77 -1.360 -18.672 -1.278 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.381 -17.725 -0.636 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.046 -18.167 -0.933 1.00 0.00 C ATOM 0 H LEU A 77 -1.967 -20.989 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 77 0.310 -20.846 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.659 -20.376 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.487 -20.199 0.236 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.459 -18.674 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.180 -16.702 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.387 -18.011 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.303 -17.788 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.154 -17.135 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.196 -18.216 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.789 -18.790 -1.431 1.00 0.00 H new ATOM 754 N GLY A 78 -1.636 -23.474 -1.318 1.00 0.00 N ATOM 755 CA GLY A 78 -1.690 -24.865 -0.870 1.00 0.00 C ATOM 756 C GLY A 78 -3.042 -25.282 -0.280 1.00 0.00 C ATOM 757 O GLY A 78 -3.149 -26.367 0.297 1.00 0.00 O ATOM 0 H GLY A 78 -2.279 -23.277 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.458 -25.516 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.914 -25.024 -0.121 1.00 0.00 H new ATOM 761 N TYR A 79 -4.073 -24.450 -0.424 1.00 0.00 N ATOM 762 CA TYR A 79 -5.440 -24.775 -0.036 1.00 0.00 C ATOM 763 C TYR A 79 -6.025 -25.648 -1.146 1.00 0.00 C ATOM 764 O TYR A 79 -5.813 -25.333 -2.319 1.00 0.00 O ATOM 765 CB TYR A 79 -6.251 -23.484 0.097 1.00 0.00 C ATOM 766 CG TYR A 79 -5.601 -22.509 1.053 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.736 -22.697 2.437 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.852 -21.423 0.561 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.102 -21.823 3.330 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.220 -20.539 1.452 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.342 -20.736 2.848 1.00 0.00 C ATOM 772 OH TYR A 79 -3.739 -19.892 3.737 1.00 0.00 O ATOM 0 H TYR A 79 -3.977 -23.515 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.467 -25.298 0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.355 -23.018 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.256 -23.720 0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.329 -23.517 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.763 -21.269 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.196 -21.982 4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.642 -19.710 1.072 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.253 -19.196 3.248 1.00 0.00 H new ATOM 782 N PRO A 80 -6.772 -26.722 -0.843 1.00 0.00 N ATOM 783 CA PRO A 80 -7.197 -27.651 -1.876 1.00 0.00 C ATOM 784 C PRO A 80 -8.227 -27.051 -2.843 1.00 0.00 C ATOM 785 O PRO A 80 -8.284 -27.475 -3.999 1.00 0.00 O ATOM 786 CB PRO A 80 -7.754 -28.867 -1.122 1.00 0.00 C ATOM 787 CG PRO A 80 -8.198 -28.279 0.219 1.00 0.00 C ATOM 788 CD PRO A 80 -7.108 -27.239 0.475 1.00 0.00 C ATOM 0 HA PRO A 80 -6.361 -27.920 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.587 -29.324 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.997 -29.640 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.189 -27.828 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.237 -29.034 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.464 -26.446 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.239 -27.687 0.958 1.00 0.00 H new ATOM 796 N THR A 81 -9.029 -26.085 -2.392 1.00 0.00 N ATOM 797 CA THR A 81 -10.178 -25.571 -3.134 1.00 0.00 C ATOM 798 C THR A 81 -10.341 -24.075 -2.860 1.00 0.00 C ATOM 799 O THR A 81 -9.758 -23.536 -1.917 1.00 0.00 O ATOM 800 CB THR A 81 -11.425 -26.367 -2.686 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.474 -26.334 -1.268 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.392 -27.828 -3.138 1.00 0.00 C ATOM 0 H THR A 81 -8.895 -25.632 -1.488 1.00 0.00 H new ATOM 0 HA THR A 81 -10.038 -25.693 -4.208 1.00 0.00 H new ATOM 0 HB THR A 81 -12.301 -25.907 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.159 -26.958 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.293 -28.336 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.344 -27.871 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.515 -28.320 -2.716 1.00 0.00 H new ATOM 810 N LEU A 82 -11.179 -23.409 -3.664 1.00 0.00 N ATOM 811 CA LEU A 82 -11.554 -22.015 -3.439 1.00 0.00 C ATOM 812 C LEU A 82 -12.216 -21.887 -2.082 1.00 0.00 C ATOM 813 O LEU A 82 -11.905 -20.957 -1.345 1.00 0.00 O ATOM 814 CB LEU A 82 -12.537 -21.503 -4.518 1.00 0.00 C ATOM 815 CG LEU A 82 -11.955 -21.162 -5.904 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.821 -20.141 -5.799 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.466 -22.388 -6.675 1.00 0.00 C ATOM 0 H LEU A 82 -11.614 -23.825 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.645 -21.415 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.311 -22.259 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.028 -20.610 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.784 -20.731 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.434 -19.924 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.198 -19.223 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.022 -20.548 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.069 -22.076 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.683 -22.888 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.297 -23.076 -6.829 1.00 0.00 H new ATOM 829 N GLU A 83 -13.108 -22.823 -1.742 1.00 0.00 N ATOM 830 CA GLU A 83 -13.763 -22.785 -0.444 1.00 0.00 C ATOM 831 C GLU A 83 -12.709 -22.878 0.649 1.00 0.00 C ATOM 832 O GLU A 83 -12.747 -22.053 1.547 1.00 0.00 O ATOM 833 CB GLU A 83 -14.897 -23.822 -0.319 1.00 0.00 C ATOM 834 CG GLU A 83 -14.448 -25.289 -0.269 1.00 0.00 C ATOM 835 CD GLU A 83 -15.634 -26.243 -0.044 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.293 -26.658 -1.027 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.903 -26.583 1.134 1.00 0.00 O ATOM 0 H GLU A 83 -13.385 -23.601 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.275 -21.830 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.467 -23.604 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.575 -23.696 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.946 -25.547 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.720 -25.419 0.532 1.00 0.00 H new ATOM 844 N ALA A 84 -11.730 -23.788 0.569 1.00 0.00 N ATOM 845 CA ALA A 84 -10.738 -23.962 1.629 1.00 0.00 C ATOM 846 C ALA A 84 -9.894 -22.703 1.824 1.00 0.00 C ATOM 847 O ALA A 84 -9.641 -22.305 2.961 1.00 0.00 O ATOM 848 CB ALA A 84 -9.862 -25.175 1.325 1.00 0.00 C ATOM 0 H ALA A 84 -11.606 -24.417 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.265 -24.137 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.125 -25.299 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.485 -26.068 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.350 -25.025 0.374 1.00 0.00 H new ATOM 854 N TYR A 85 -9.506 -22.039 0.734 1.00 0.00 N ATOM 855 CA TYR A 85 -8.860 -20.735 0.804 1.00 0.00 C ATOM 856 C TYR A 85 -9.745 -19.746 1.578 1.00 0.00 C ATOM 857 O TYR A 85 -9.281 -19.115 2.525 1.00 0.00 O ATOM 858 CB TYR A 85 -8.527 -20.244 -0.612 1.00 0.00 C ATOM 859 CG TYR A 85 -8.114 -18.789 -0.639 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.821 -18.419 -0.228 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.024 -17.807 -1.067 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.432 -17.070 -0.204 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.645 -16.452 -1.050 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.350 -16.076 -0.615 1.00 0.00 C ATOM 865 OH TYR A 85 -6.997 -14.759 -0.590 1.00 0.00 O ATOM 0 H TYR A 85 -9.631 -22.391 -0.215 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.920 -20.815 1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.724 -20.854 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.396 -20.384 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.118 -19.182 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.009 -18.091 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.441 -16.794 0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.345 -15.694 -1.370 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.481 -14.277 -1.293 1.00 0.00 H new ATOM 875 N LEU A 86 -11.035 -19.652 1.229 1.00 0.00 N ATOM 876 CA LEU A 86 -11.980 -18.743 1.883 1.00 0.00 C ATOM 877 C LEU A 86 -12.258 -19.125 3.351 1.00 0.00 C ATOM 878 O LEU A 86 -12.411 -18.235 4.186 1.00 0.00 O ATOM 879 CB LEU A 86 -13.277 -18.691 1.056 1.00 0.00 C ATOM 880 CG LEU A 86 -13.114 -18.082 -0.350 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.254 -18.553 -1.253 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.094 -16.550 -0.281 1.00 0.00 C ATOM 0 H LEU A 86 -11.452 -20.207 0.482 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.530 -17.751 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.670 -19.703 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.020 -18.112 1.605 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.164 -18.417 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.134 -18.120 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.234 -19.640 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.207 -18.235 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.978 -16.142 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.029 -16.193 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.260 -16.225 0.341 1.00 0.00 H new ATOM 894 N ARG A 87 -12.281 -20.420 3.708 1.00 0.00 N ATOM 895 CA ARG A 87 -12.334 -20.874 5.115 1.00 0.00 C ATOM 896 C ARG A 87 -11.138 -20.318 5.892 1.00 0.00 C ATOM 897 O ARG A 87 -11.286 -19.975 7.065 1.00 0.00 O ATOM 898 CB ARG A 87 -12.288 -22.420 5.271 1.00 0.00 C ATOM 899 CG ARG A 87 -13.601 -23.228 5.197 1.00 0.00 C ATOM 900 CD ARG A 87 -14.096 -23.430 3.761 1.00 0.00 C ATOM 901 NE ARG A 87 -15.004 -24.575 3.537 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.165 -24.900 4.128 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.626 -24.245 5.194 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.871 -25.902 3.627 1.00 0.00 N ATOM 0 H ARG A 87 -12.264 -21.184 3.033 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.286 -20.509 5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.622 -22.807 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.823 -22.638 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.450 -24.201 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.371 -22.714 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.607 -22.521 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.228 -23.550 3.113 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.698 -25.226 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.092 -23.469 5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.513 -24.520 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.530 -26.408 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.756 -26.168 4.058 1.00 0.00 H new ATOM 918 N SER A 88 -9.967 -20.260 5.262 1.00 0.00 N ATOM 919 CA SER A 88 -8.688 -19.965 5.900 1.00 0.00 C ATOM 920 C SER A 88 -8.425 -18.465 6.146 1.00 0.00 C ATOM 921 O SER A 88 -7.298 -18.100 6.494 1.00 0.00 O ATOM 922 CB SER A 88 -7.580 -20.642 5.093 1.00 0.00 C ATOM 923 OG SER A 88 -7.840 -22.038 4.988 1.00 0.00 O ATOM 0 H SER A 88 -9.880 -20.423 4.259 1.00 0.00 H new ATOM 0 HA SER A 88 -8.712 -20.375 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.520 -20.199 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.616 -20.478 5.574 1.00 0.00 H new ATOM 0 HG SER A 88 -8.488 -22.197 4.270 1.00 0.00 H new ATOM 929 N VAL A 89 -9.429 -17.589 6.001 1.00 0.00 N ATOM 930 CA VAL A 89 -9.320 -16.150 6.269 1.00 0.00 C ATOM 931 C VAL A 89 -10.465 -15.685 7.207 1.00 0.00 C ATOM 932 O VAL A 89 -11.066 -14.635 6.982 1.00 0.00 O ATOM 933 CB VAL A 89 -9.156 -15.423 4.904 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.247 -15.800 3.887 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.996 -13.898 4.987 1.00 0.00 C ATOM 0 H VAL A 89 -10.359 -17.868 5.687 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.432 -15.882 6.842 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.200 -15.800 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.078 -15.260 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.212 -16.873 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.225 -15.534 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.889 -13.488 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.876 -13.465 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.110 -13.657 5.574 1.00 0.00 H new ATOM 945 N PRO A 90 -10.793 -16.411 8.302 1.00 0.00 N ATOM 946 CA PRO A 90 -11.996 -16.135 9.084 1.00 0.00 C ATOM 947 C PRO A 90 -11.930 -14.818 9.876 1.00 0.00 C ATOM 948 O PRO A 90 -12.966 -14.310 10.313 1.00 0.00 O ATOM 949 CB PRO A 90 -12.156 -17.347 10.006 1.00 0.00 C ATOM 950 CG PRO A 90 -10.719 -17.779 10.270 1.00 0.00 C ATOM 951 CD PRO A 90 -10.008 -17.459 8.955 1.00 0.00 C ATOM 0 HA PRO A 90 -12.855 -15.995 8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.673 -17.085 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.734 -18.140 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.282 -17.233 11.106 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.656 -18.840 10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.988 -17.122 9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.943 -18.345 8.324 1.00 0.00 H new ATOM 959 N ALA A 91 -10.729 -14.254 10.072 1.00 0.00 N ATOM 960 CA ALA A 91 -10.535 -13.006 10.808 1.00 0.00 C ATOM 961 C ALA A 91 -10.824 -11.769 9.945 1.00 0.00 C ATOM 962 O ALA A 91 -10.844 -10.658 10.476 1.00 0.00 O ATOM 963 CB ALA A 91 -9.104 -12.957 11.349 1.00 0.00 C ATOM 0 H ALA A 91 -9.861 -14.658 9.720 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.247 -12.987 11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.954 -12.028 11.899 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.938 -13.804 12.015 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.399 -13.005 10.519 1.00 0.00 H new ATOM 969 N VAL A 92 -11.028 -11.939 8.630 1.00 0.00 N ATOM 970 CA VAL A 92 -11.166 -10.826 7.683 1.00 0.00 C ATOM 971 C VAL A 92 -12.340 -11.075 6.722 1.00 0.00 C ATOM 972 O VAL A 92 -12.921 -10.128 6.193 1.00 0.00 O ATOM 973 CB VAL A 92 -9.825 -10.613 6.938 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.829 -9.312 6.131 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.597 -10.566 7.864 1.00 0.00 C ATOM 0 H VAL A 92 -11.102 -12.858 8.193 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.396 -9.908 8.224 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.743 -11.483 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.872 -9.197 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.631 -9.344 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.987 -8.468 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.697 -10.414 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.706 -9.744 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.516 -11.506 8.409 1.00 0.00 H new ATOM 985 N VAL A 93 -12.737 -12.329 6.522 1.00 0.00 N ATOM 986 CA VAL A 93 -13.719 -12.775 5.541 1.00 0.00 C ATOM 987 C VAL A 93 -14.635 -13.789 6.243 1.00 0.00 C ATOM 988 O VAL A 93 -14.319 -14.306 7.314 1.00 0.00 O ATOM 989 CB VAL A 93 -12.937 -13.319 4.318 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.720 -14.178 3.307 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.254 -12.154 3.574 1.00 0.00 C ATOM 0 H VAL A 93 -12.361 -13.102 7.071 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.369 -11.987 5.160 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.219 -14.011 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.054 -14.492 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.121 -15.058 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.540 -13.593 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.706 -12.542 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.010 -11.447 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.562 -11.648 4.247 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.799 -14.032 5.650 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.883 -14.847 6.195 1.00 0.00 C ATOM 1003 C ARG A 94 -17.482 -15.606 5.023 1.00 0.00 C ATOM 1004 O ARG A 94 -17.393 -15.140 3.892 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.865 -13.904 6.916 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.260 -14.468 7.249 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.063 -13.546 8.181 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.117 -12.147 7.691 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.432 -11.077 8.433 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -21.006 -11.222 9.625 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.162 -9.860 7.969 1.00 0.00 N ATOM 0 H ARG A 94 -16.025 -13.648 4.732 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.565 -15.581 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.400 -13.578 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.997 -13.016 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.817 -14.618 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.150 -15.446 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.078 -13.931 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.616 -13.562 9.175 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.896 -11.986 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.211 -12.155 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.241 -10.400 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.720 -9.749 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.397 -9.038 8.525 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.103 -16.752 5.266 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.750 -17.547 4.228 1.00 0.00 C ATOM 1027 C ILE A 95 -20.013 -18.179 4.809 1.00 0.00 C ATOM 1028 O ILE A 95 -20.093 -18.435 6.013 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.778 -18.607 3.650 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.243 -19.578 4.724 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.594 -17.959 2.908 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.299 -20.651 4.177 1.00 0.00 C ATOM 0 H ILE A 95 -18.173 -17.161 6.198 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.033 -16.905 3.393 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.370 -19.183 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.720 -19.005 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.087 -20.065 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.938 -18.738 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.969 -17.355 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.036 -17.325 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.967 -21.293 4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.823 -21.251 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.434 -20.174 3.715 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.982 -18.469 3.944 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.170 -19.251 4.254 1.00 0.00 C ATOM 1046 C GLU A 96 -22.280 -20.322 3.170 1.00 0.00 C ATOM 1047 O GLU A 96 -22.665 -20.032 2.037 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.424 -18.356 4.318 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.433 -17.453 5.562 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.775 -16.715 5.751 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.835 -17.383 5.866 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -24.785 -15.461 5.791 1.00 0.00 O ATOM 0 H GLU A 96 -20.958 -18.153 2.974 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.093 -19.716 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.472 -17.737 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.316 -18.983 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.227 -18.057 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.629 -16.722 5.481 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.869 -21.551 3.497 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.106 -22.722 2.664 1.00 0.00 C ATOM 1061 C ALA A 97 -23.562 -23.128 2.891 1.00 0.00 C ATOM 1062 O ALA A 97 -23.949 -23.496 4.002 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.120 -23.842 3.029 1.00 0.00 C ATOM 0 H ALA A 97 -21.359 -21.757 4.356 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.943 -22.512 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.308 -24.712 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.099 -23.494 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.252 -24.117 4.075 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.707 -22.028 -1.867 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.185 -21.176 -0.805 1.00 0.00 C ATOM 1139 C ILE A 103 -21.197 -19.746 -1.301 1.00 0.00 C ATOM 1140 O ILE A 103 -20.816 -19.489 -2.442 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.801 -21.677 -0.301 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.111 -20.704 0.683 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.841 -22.113 -1.413 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.228 -19.624 0.033 1.00 0.00 C ATOM 0 HA ILE A 103 -21.819 -21.222 0.081 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.049 -22.579 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.879 -20.211 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.497 -21.285 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.902 -22.447 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.287 -22.931 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.650 -21.272 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.792 -18.995 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.432 -20.101 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.835 -19.010 -0.633 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.590 -18.831 -0.418 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.619 -17.396 -0.642 1.00 0.00 C ATOM 1158 C VAL A 104 -20.550 -16.800 0.275 1.00 0.00 C ATOM 1159 O VAL A 104 -20.460 -17.178 1.441 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.039 -16.856 -0.333 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.182 -15.427 -0.873 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.161 -17.728 -0.931 1.00 0.00 C ATOM 0 H VAL A 104 -21.911 -19.087 0.516 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.405 -17.125 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.149 -16.876 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.182 -15.053 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.441 -14.783 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.025 -15.428 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.130 -17.297 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.052 -17.768 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.095 -18.736 -0.522 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.706 -15.915 -0.256 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.605 -15.294 0.471 1.00 0.00 C ATOM 1174 C CYS A 105 -19.017 -13.889 0.911 1.00 0.00 C ATOM 1175 O CYS A 105 -19.763 -13.235 0.184 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.369 -15.197 -0.446 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.139 -16.685 -1.459 1.00 0.00 S ATOM 0 H CYS A 105 -19.773 -15.605 -1.225 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.363 -15.898 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.471 -14.329 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.480 -15.035 0.163 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.065 -16.737 -2.370 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.466 -13.406 2.030 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.753 -12.106 2.631 1.00 0.00 C ATOM 1185 C TYR A 106 -17.497 -11.541 3.287 1.00 0.00 C ATOM 1186 O TYR A 106 -16.527 -12.265 3.503 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.818 -12.288 3.716 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.168 -12.688 3.189 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -22.009 -11.711 2.621 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.578 -14.034 3.267 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.297 -12.064 2.193 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.851 -14.398 2.805 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.720 -13.415 2.269 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.958 -13.787 1.828 1.00 0.00 O ATOM 0 H TYR A 106 -17.777 -13.937 2.563 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.099 -11.424 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.477 -13.045 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.918 -11.356 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.663 -10.693 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.916 -14.781 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.965 -11.309 1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.170 -15.429 2.858 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.075 -14.751 1.957 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.512 -10.256 3.641 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.415 -9.642 4.385 1.00 0.00 C ATOM 1206 C ALA A 107 -16.669 -9.756 5.890 1.00 0.00 C ATOM 1207 O ALA A 107 -17.790 -10.037 6.321 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.291 -8.164 3.999 1.00 0.00 C ATOM 0 H ALA A 107 -18.277 -9.618 3.422 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.489 -10.162 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.472 -7.710 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.092 -8.082 2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.221 -7.647 4.235 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.633 -9.463 6.676 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.719 -9.332 8.136 1.00 0.00 C ATOM 1216 C VAL A 108 -14.837 -8.186 8.675 1.00 0.00 C ATOM 1217 O VAL A 108 -15.208 -7.578 9.681 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.435 -10.714 8.789 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.387 -10.735 9.911 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.734 -11.303 9.352 1.00 0.00 C ATOM 0 H VAL A 108 -14.693 -9.307 6.313 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.731 -9.039 8.416 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.017 -11.305 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.277 -11.752 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.430 -10.386 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.709 -10.082 10.722 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.527 -12.271 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.144 -10.628 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.456 -11.429 8.545 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.722 -7.847 8.017 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.860 -6.719 8.372 1.00 0.00 C ATOM 1232 C ALA A 109 -12.244 -6.145 7.092 1.00 0.00 C ATOM 1233 O ALA A 109 -12.844 -6.372 6.021 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.786 -7.165 9.378 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.200 -5.453 7.158 1.00 0.00 O ATOM 0 H ALA A 109 -13.388 -8.364 7.203 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.444 -5.936 8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.152 -6.316 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.267 -7.543 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.177 -7.953 8.935 1.00 0.00 H new