USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 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 81:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.961) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.06 K(o=1.1,f=-1.1) USER MOD Single : A 50 SER OG : rot 75:sc= 0.686 USER MOD Single : A 51 HIS : no HD1:sc= 0.934 K(o=0.93,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0556 X(o=-0.056,f=-0.056) USER MOD Single : A 61 GLN : amide:sc= 0.908 K(o=0.91,f=-4.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.081 USER MOD Single : A 66 SER OG : rot 68:sc= 0.173 USER MOD Single : A 68 THR OG1 : rot -163:sc= 0.147 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.892! C(o=-0.89!,f=-9.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.246 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 83:sc= 1.25 USER MOD Single : A 105 CYS SG : rot 79:sc= -2.26! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.734 -7.765 0.366 1.00 0.00 N ATOM 45 CA LEU A 35 3.245 -9.131 0.183 1.00 0.00 C ATOM 46 C LEU A 35 2.159 -9.914 -0.557 1.00 0.00 C ATOM 47 O LEU A 35 0.993 -9.541 -0.467 1.00 0.00 O ATOM 48 CB LEU A 35 3.554 -9.791 1.541 1.00 0.00 C ATOM 49 CG LEU A 35 4.950 -9.468 2.118 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.152 -7.979 2.438 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.186 -10.293 3.391 1.00 0.00 C ATOM 0 HA LEU A 35 4.176 -9.119 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.798 -9.478 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.463 -10.872 1.432 1.00 0.00 H new ATOM 0 HG LEU A 35 5.672 -9.728 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.154 -7.826 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.032 -7.392 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.414 -7.662 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.172 -10.063 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.424 -10.047 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.131 -11.355 3.152 1.00 0.00 H new ATOM 63 N GLU A 36 2.491 -11.011 -1.246 1.00 0.00 N ATOM 64 CA GLU A 36 1.528 -11.661 -2.144 1.00 0.00 C ATOM 65 C GLU A 36 0.272 -12.093 -1.393 1.00 0.00 C ATOM 66 O GLU A 36 -0.838 -11.812 -1.841 1.00 0.00 O ATOM 67 CB GLU A 36 2.177 -12.850 -2.873 1.00 0.00 C ATOM 68 CG GLU A 36 1.214 -13.539 -3.850 1.00 0.00 C ATOM 69 CD GLU A 36 1.943 -14.612 -4.681 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.518 -14.276 -5.745 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.943 -15.800 -4.273 1.00 0.00 O ATOM 0 H GLU A 36 3.405 -11.463 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 36 1.225 -10.931 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.055 -12.502 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.525 -13.576 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.395 -13.998 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.773 -12.797 -4.515 1.00 0.00 H new ATOM 78 N ALA A 37 0.439 -12.727 -0.232 1.00 0.00 N ATOM 79 CA ALA A 37 -0.700 -13.255 0.505 1.00 0.00 C ATOM 80 C ALA A 37 -1.525 -12.116 1.114 1.00 0.00 C ATOM 81 O ALA A 37 -2.753 -12.203 1.180 1.00 0.00 O ATOM 82 CB ALA A 37 -0.270 -14.268 1.569 1.00 0.00 C ATOM 0 H ALA A 37 1.344 -12.884 0.212 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.333 -13.791 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.150 -14.638 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.244 -15.102 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.403 -13.787 2.279 1.00 0.00 H new ATOM 88 N ASP A 38 -0.870 -11.029 1.530 1.00 0.00 N ATOM 89 CA ASP A 38 -1.564 -9.861 2.066 1.00 0.00 C ATOM 90 C ASP A 38 -2.306 -9.107 0.961 1.00 0.00 C ATOM 91 O ASP A 38 -3.426 -8.652 1.180 1.00 0.00 O ATOM 92 CB ASP A 38 -0.582 -8.929 2.781 1.00 0.00 C ATOM 93 CG ASP A 38 -1.336 -7.841 3.552 1.00 0.00 C ATOM 94 OD1 ASP A 38 -2.160 -8.178 4.437 1.00 0.00 O ATOM 95 OD2 ASP A 38 -1.116 -6.632 3.296 1.00 0.00 O ATOM 0 H ASP A 38 0.145 -10.936 1.504 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.299 -10.212 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.040 -9.504 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.087 -8.470 2.054 1.00 0.00 H new ATOM 100 N LEU A 39 -1.726 -9.045 -0.245 1.00 0.00 N ATOM 101 CA LEU A 39 -2.324 -8.435 -1.425 1.00 0.00 C ATOM 102 C LEU A 39 -3.641 -9.106 -1.721 1.00 0.00 C ATOM 103 O LEU A 39 -4.677 -8.441 -1.791 1.00 0.00 O ATOM 104 CB LEU A 39 -1.373 -8.531 -2.637 1.00 0.00 C ATOM 105 CG LEU A 39 -1.917 -7.894 -3.939 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.753 -7.378 -4.789 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.745 -8.852 -4.811 1.00 0.00 C ATOM 0 H LEU A 39 -0.799 -9.432 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.499 -7.377 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.429 -8.050 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.154 -9.582 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.578 -7.090 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.141 -6.931 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.196 -6.629 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.092 -8.207 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.088 -8.328 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.129 -9.702 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.606 -9.207 -4.245 1.00 0.00 H new ATOM 119 N VAL A 40 -3.603 -10.423 -1.892 1.00 0.00 N ATOM 120 CA VAL A 40 -4.786 -11.154 -2.287 1.00 0.00 C ATOM 121 C VAL A 40 -5.825 -11.081 -1.171 1.00 0.00 C ATOM 122 O VAL A 40 -6.995 -10.872 -1.472 1.00 0.00 O ATOM 123 CB VAL A 40 -4.409 -12.579 -2.752 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.438 -12.494 -3.942 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.809 -13.441 -1.638 1.00 0.00 C ATOM 0 H VAL A 40 -2.769 -10.996 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.258 -10.698 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.334 -13.071 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.173 -13.500 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.915 -11.960 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.536 -11.962 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.567 -14.428 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.902 -12.969 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.530 -13.541 -0.827 1.00 0.00 H new ATOM 135 N SER A 41 -5.420 -11.128 0.107 1.00 0.00 N ATOM 136 CA SER A 41 -6.335 -11.020 1.238 1.00 0.00 C ATOM 137 C SER A 41 -7.019 -9.644 1.290 1.00 0.00 C ATOM 138 O SER A 41 -8.242 -9.595 1.386 1.00 0.00 O ATOM 139 CB SER A 41 -5.608 -11.321 2.556 1.00 0.00 C ATOM 140 OG SER A 41 -5.056 -12.632 2.554 1.00 0.00 O ATOM 0 H SER A 41 -4.444 -11.243 0.379 1.00 0.00 H new ATOM 0 HA SER A 41 -7.118 -11.766 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.814 -10.590 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.303 -11.218 3.389 1.00 0.00 H new ATOM 0 HG SER A 41 -4.208 -12.629 2.063 1.00 0.00 H new ATOM 146 N LYS A 42 -6.283 -8.529 1.186 1.00 0.00 N ATOM 147 CA LYS A 42 -6.889 -7.192 1.246 1.00 0.00 C ATOM 148 C LYS A 42 -7.776 -6.953 0.029 1.00 0.00 C ATOM 149 O LYS A 42 -8.866 -6.417 0.191 1.00 0.00 O ATOM 150 CB LYS A 42 -5.807 -6.103 1.337 1.00 0.00 C ATOM 151 CG LYS A 42 -5.292 -5.935 2.777 1.00 0.00 C ATOM 152 CD LYS A 42 -4.280 -4.785 2.831 1.00 0.00 C ATOM 153 CE LYS A 42 -3.863 -4.362 4.242 1.00 0.00 C ATOM 154 NZ LYS A 42 -3.052 -5.397 4.934 1.00 0.00 N ATOM 0 H LYS A 42 -5.271 -8.526 1.060 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.504 -7.140 2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.976 -6.360 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.213 -5.156 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.125 -5.732 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.825 -6.860 3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.389 -5.078 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.705 -3.922 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.291 -3.436 4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.755 -4.150 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.642 -4.994 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.658 -6.205 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.288 -5.717 4.305 1.00 0.00 H new ATOM 168 N MET A 43 -7.365 -7.363 -1.170 1.00 0.00 N ATOM 169 CA MET A 43 -8.189 -7.134 -2.360 1.00 0.00 C ATOM 170 C MET A 43 -9.444 -8.011 -2.323 1.00 0.00 C ATOM 171 O MET A 43 -10.535 -7.501 -2.563 1.00 0.00 O ATOM 172 CB MET A 43 -7.362 -7.310 -3.640 1.00 0.00 C ATOM 173 CG MET A 43 -6.342 -6.165 -3.778 1.00 0.00 C ATOM 174 SD MET A 43 -5.537 -6.043 -5.396 1.00 0.00 S ATOM 175 CE MET A 43 -4.430 -4.635 -5.137 1.00 0.00 C ATOM 0 H MET A 43 -6.484 -7.847 -1.344 1.00 0.00 H new ATOM 0 HA MET A 43 -8.534 -6.100 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.843 -8.268 -3.617 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.021 -7.326 -4.508 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.847 -5.222 -3.569 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.573 -6.290 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.868 -4.441 -6.050 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.017 -3.754 -4.879 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.738 -4.861 -4.326 1.00 0.00 H new ATOM 185 N LEU A 44 -9.325 -9.285 -1.930 1.00 0.00 N ATOM 186 CA LEU A 44 -10.455 -10.177 -1.638 1.00 0.00 C ATOM 187 C LEU A 44 -11.431 -9.472 -0.704 1.00 0.00 C ATOM 188 O LEU A 44 -12.599 -9.283 -1.031 1.00 0.00 O ATOM 189 CB LEU A 44 -9.892 -11.466 -0.994 1.00 0.00 C ATOM 190 CG LEU A 44 -10.901 -12.398 -0.313 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.733 -13.121 -1.361 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.167 -13.411 0.566 1.00 0.00 C ATOM 0 H LEU A 44 -8.419 -9.736 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.995 -10.436 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.374 -12.033 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.144 -11.178 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.565 -11.803 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.447 -13.781 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.271 -12.391 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.078 -13.710 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.892 -14.069 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.490 -14.004 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.595 -12.883 1.329 1.00 0.00 H new ATOM 204 N ARG A 45 -10.920 -9.036 0.442 1.00 0.00 N ATOM 205 CA ARG A 45 -11.662 -8.298 1.450 1.00 0.00 C ATOM 206 C ARG A 45 -12.348 -7.084 0.845 1.00 0.00 C ATOM 207 O ARG A 45 -13.523 -6.882 1.119 1.00 0.00 O ATOM 208 CB ARG A 45 -10.675 -7.984 2.579 1.00 0.00 C ATOM 209 CG ARG A 45 -11.101 -6.901 3.566 1.00 0.00 C ATOM 210 CD ARG A 45 -10.585 -5.495 3.216 1.00 0.00 C ATOM 211 NE ARG A 45 -10.499 -4.735 4.463 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.499 -3.416 4.659 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.387 -2.565 3.637 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.614 -2.991 5.905 1.00 0.00 N ATOM 0 H ARG A 45 -9.946 -9.193 0.701 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.486 -8.878 1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.490 -8.902 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.727 -7.686 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.190 -6.876 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.745 -7.170 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.609 -5.554 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.258 -5.004 2.513 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.428 -5.299 5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.299 -2.920 2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.389 -1.559 3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.698 -3.663 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.619 -1.991 6.104 1.00 0.00 H new ATOM 228 N ALA A 46 -11.668 -6.289 0.026 1.00 0.00 N ATOM 229 CA ALA A 46 -12.250 -5.064 -0.485 1.00 0.00 C ATOM 230 C ALA A 46 -13.399 -5.350 -1.448 1.00 0.00 C ATOM 231 O ALA A 46 -14.426 -4.679 -1.366 1.00 0.00 O ATOM 232 CB ALA A 46 -11.165 -4.212 -1.151 1.00 0.00 C ATOM 0 H ALA A 46 -10.717 -6.474 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.669 -4.505 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.608 -3.292 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.395 -3.967 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.719 -4.770 -1.975 1.00 0.00 H new ATOM 238 N VAL A 47 -13.280 -6.370 -2.304 1.00 0.00 N ATOM 239 CA VAL A 47 -14.399 -6.792 -3.146 1.00 0.00 C ATOM 240 C VAL A 47 -15.571 -7.193 -2.242 1.00 0.00 C ATOM 241 O VAL A 47 -16.696 -6.757 -2.457 1.00 0.00 O ATOM 242 CB VAL A 47 -13.964 -7.925 -4.103 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.134 -8.490 -4.920 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.916 -7.403 -5.095 1.00 0.00 C ATOM 0 H VAL A 47 -12.426 -6.914 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.728 -5.970 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.558 -8.718 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.771 -9.282 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.888 -8.894 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.575 -7.695 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.616 -8.209 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.342 -6.586 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.045 -7.043 -4.548 1.00 0.00 H new ATOM 254 N LEU A 48 -15.315 -7.959 -1.181 1.00 0.00 N ATOM 255 CA LEU A 48 -16.375 -8.430 -0.292 1.00 0.00 C ATOM 256 C LEU A 48 -17.029 -7.280 0.486 1.00 0.00 C ATOM 257 O LEU A 48 -18.239 -7.308 0.693 1.00 0.00 O ATOM 258 CB LEU A 48 -15.801 -9.475 0.676 1.00 0.00 C ATOM 259 CG LEU A 48 -15.286 -10.743 -0.025 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.323 -11.455 0.917 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.444 -11.674 -0.377 1.00 0.00 C ATOM 0 H LEU A 48 -14.379 -8.267 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.154 -8.883 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.985 -9.025 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.571 -9.754 1.395 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.780 -10.466 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.946 -12.358 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.489 -10.794 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.844 -11.723 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.057 -12.565 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.968 -11.964 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.135 -11.159 -1.045 1.00 0.00 H new ATOM 273 N GLN A 49 -16.260 -6.272 0.909 1.00 0.00 N ATOM 274 CA GLN A 49 -16.793 -5.086 1.574 1.00 0.00 C ATOM 275 C GLN A 49 -17.657 -4.265 0.608 1.00 0.00 C ATOM 276 O GLN A 49 -18.676 -3.712 1.019 1.00 0.00 O ATOM 277 CB GLN A 49 -15.641 -4.223 2.137 1.00 0.00 C ATOM 278 CG GLN A 49 -14.960 -4.811 3.391 1.00 0.00 C ATOM 279 CD GLN A 49 -15.833 -4.804 4.654 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.960 -4.315 4.665 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.334 -5.346 5.754 1.00 0.00 N ATOM 0 H GLN A 49 -15.246 -6.259 0.798 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.422 -5.410 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.889 -4.089 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.029 -3.234 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.660 -5.837 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.049 -4.247 3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.398 -5.752 5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.885 -5.358 6.612 1.00 0.00 H new ATOM 290 N SER A 50 -17.282 -4.211 -0.676 1.00 0.00 N ATOM 291 CA SER A 50 -18.084 -3.562 -1.714 1.00 0.00 C ATOM 292 C SER A 50 -19.370 -4.355 -2.000 1.00 0.00 C ATOM 293 O SER A 50 -20.417 -3.760 -2.267 1.00 0.00 O ATOM 294 CB SER A 50 -17.244 -3.418 -2.993 1.00 0.00 C ATOM 295 OG SER A 50 -16.042 -2.693 -2.748 1.00 0.00 O ATOM 0 H SER A 50 -16.413 -4.617 -1.022 1.00 0.00 H new ATOM 0 HA SER A 50 -18.379 -2.574 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.001 -4.406 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.829 -2.908 -3.758 1.00 0.00 H new ATOM 0 HG SER A 50 -15.404 -3.267 -2.275 1.00 0.00 H new ATOM 301 N HIS A 51 -19.313 -5.685 -1.887 1.00 0.00 N ATOM 302 CA HIS A 51 -20.358 -6.604 -2.329 1.00 0.00 C ATOM 303 C HIS A 51 -21.051 -7.216 -1.113 1.00 0.00 C ATOM 304 O HIS A 51 -20.960 -8.422 -0.881 1.00 0.00 O ATOM 305 CB HIS A 51 -19.752 -7.668 -3.264 1.00 0.00 C ATOM 306 CG HIS A 51 -19.192 -7.149 -4.575 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.942 -5.815 -4.922 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.849 -7.947 -5.625 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.439 -5.856 -6.169 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.397 -7.118 -6.624 1.00 0.00 N ATOM 0 H HIS A 51 -18.513 -6.163 -1.473 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.117 -6.069 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.955 -8.184 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.519 -8.410 -3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.919 -9.024 -5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.113 -4.991 -6.728 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.084 -7.411 -7.550 1.00 0.00 H new ATOM 318 N LYS A 52 -21.738 -6.399 -0.306 1.00 0.00 N ATOM 319 CA LYS A 52 -22.402 -6.859 0.927 1.00 0.00 C ATOM 320 C LYS A 52 -23.477 -7.927 0.702 1.00 0.00 C ATOM 321 O LYS A 52 -23.776 -8.676 1.627 1.00 0.00 O ATOM 322 CB LYS A 52 -22.996 -5.664 1.695 1.00 0.00 C ATOM 323 CG LYS A 52 -21.950 -4.729 2.322 1.00 0.00 C ATOM 324 CD LYS A 52 -21.112 -5.425 3.413 1.00 0.00 C ATOM 325 CE LYS A 52 -20.157 -4.462 4.144 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.861 -3.484 5.022 1.00 0.00 N ATOM 0 H LYS A 52 -21.851 -5.401 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.623 -7.337 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.621 -5.086 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.647 -6.042 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.286 -4.357 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.453 -3.863 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.782 -5.885 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.532 -6.229 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.458 -5.043 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.567 -3.918 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.163 -2.867 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.509 -2.906 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.403 -3.996 5.747 1.00 0.00 H new ATOM 340 N ASN A 53 -24.030 -8.041 -0.512 1.00 0.00 N ATOM 341 CA ASN A 53 -24.924 -9.148 -0.881 1.00 0.00 C ATOM 342 C ASN A 53 -24.215 -10.513 -0.829 1.00 0.00 C ATOM 343 O ASN A 53 -24.879 -11.552 -0.790 1.00 0.00 O ATOM 344 CB ASN A 53 -25.507 -8.895 -2.277 1.00 0.00 C ATOM 345 CG ASN A 53 -26.524 -9.962 -2.689 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.263 -10.782 -3.564 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.701 -9.973 -2.075 1.00 0.00 N ATOM 0 H ASN A 53 -23.872 -7.371 -1.265 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.731 -9.184 -0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.985 -7.916 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.697 -8.869 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.402 -10.669 -2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.904 -9.285 -1.350 1.00 0.00 H new ATOM 354 N GLY A 54 -22.876 -10.520 -0.793 1.00 0.00 N ATOM 355 CA GLY A 54 -22.035 -11.692 -0.858 1.00 0.00 C ATOM 356 C GLY A 54 -21.891 -12.193 -2.294 1.00 0.00 C ATOM 357 O GLY A 54 -22.616 -11.763 -3.198 1.00 0.00 O ATOM 0 H GLY A 54 -22.336 -9.658 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.051 -11.459 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.458 -12.481 -0.236 1.00 0.00 H new ATOM 361 N ILE A 55 -20.932 -13.097 -2.510 1.00 0.00 N ATOM 362 CA ILE A 55 -20.595 -13.644 -3.822 1.00 0.00 C ATOM 363 C ILE A 55 -20.318 -15.127 -3.665 1.00 0.00 C ATOM 364 O ILE A 55 -19.510 -15.517 -2.830 1.00 0.00 O ATOM 365 CB ILE A 55 -19.414 -12.865 -4.467 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.255 -12.483 -3.508 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.963 -11.599 -5.125 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.237 -11.471 -4.071 1.00 0.00 C ATOM 0 H ILE A 55 -20.356 -13.476 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.431 -13.524 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.969 -13.551 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.683 -12.072 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.722 -13.392 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.145 -11.042 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.688 -11.872 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.448 -10.978 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.470 -11.272 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.772 -11.882 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.748 -10.542 -4.322 1.00 0.00 H new ATOM 380 N VAL A 56 -21.025 -15.956 -4.430 1.00 0.00 N ATOM 381 CA VAL A 56 -20.807 -17.403 -4.502 1.00 0.00 C ATOM 382 C VAL A 56 -19.365 -17.671 -4.943 1.00 0.00 C ATOM 383 O VAL A 56 -18.865 -16.893 -5.748 1.00 0.00 O ATOM 384 CB VAL A 56 -21.845 -18.033 -5.460 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.246 -18.002 -4.839 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.890 -17.363 -6.849 1.00 0.00 C ATOM 0 H VAL A 56 -21.783 -15.635 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.946 -17.865 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.520 -19.063 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -23.960 -18.450 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.243 -18.564 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.533 -16.969 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.640 -17.857 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.148 -16.310 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.914 -17.448 -7.326 1.00 0.00 H new ATOM 396 N LEU A 57 -18.699 -18.742 -4.492 1.00 0.00 N ATOM 397 CA LEU A 57 -17.274 -18.967 -4.816 1.00 0.00 C ATOM 398 C LEU A 57 -16.869 -18.773 -6.301 1.00 0.00 C ATOM 399 O LEU A 57 -15.797 -18.210 -6.522 1.00 0.00 O ATOM 400 CB LEU A 57 -16.651 -20.221 -4.151 1.00 0.00 C ATOM 401 CG LEU A 57 -16.707 -21.593 -4.873 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.812 -21.681 -6.123 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.231 -22.686 -3.907 1.00 0.00 C ATOM 0 H LEU A 57 -19.116 -19.465 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.795 -18.120 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.601 -19.998 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.132 -20.346 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.742 -21.721 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.907 -22.671 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.121 -20.925 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.774 -21.510 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.267 -23.654 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.208 -22.476 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.880 -22.705 -3.031 1.00 0.00 H new ATOM 415 N PRO A 58 -17.648 -19.150 -7.344 1.00 0.00 N ATOM 416 CA PRO A 58 -17.214 -18.894 -8.725 1.00 0.00 C ATOM 417 C PRO A 58 -17.342 -17.409 -9.091 1.00 0.00 C ATOM 418 O PRO A 58 -16.446 -16.833 -9.710 1.00 0.00 O ATOM 419 CB PRO A 58 -18.080 -19.798 -9.611 1.00 0.00 C ATOM 420 CG PRO A 58 -19.348 -20.008 -8.791 1.00 0.00 C ATOM 421 CD PRO A 58 -18.848 -19.987 -7.345 1.00 0.00 C ATOM 0 HA PRO A 58 -16.157 -19.123 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.298 -19.328 -10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.582 -20.743 -9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.079 -19.220 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.831 -20.954 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.607 -19.581 -6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.621 -20.994 -6.996 1.00 0.00 H new ATOM 429 N ARG A 59 -18.412 -16.748 -8.633 1.00 0.00 N ATOM 430 CA ARG A 59 -18.580 -15.295 -8.765 1.00 0.00 C ATOM 431 C ARG A 59 -17.487 -14.576 -7.972 1.00 0.00 C ATOM 432 O ARG A 59 -17.021 -13.527 -8.408 1.00 0.00 O ATOM 433 CB ARG A 59 -20.002 -14.908 -8.304 1.00 0.00 C ATOM 434 CG ARG A 59 -20.344 -13.435 -8.577 1.00 0.00 C ATOM 435 CD ARG A 59 -21.795 -13.090 -8.209 1.00 0.00 C ATOM 436 NE ARG A 59 -22.091 -11.664 -8.478 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.272 -11.050 -8.304 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.334 -11.729 -7.882 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.388 -9.749 -8.559 1.00 0.00 N ATOM 0 H ARG A 59 -19.189 -17.208 -8.158 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.474 -14.987 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.728 -15.543 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.098 -15.105 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.667 -12.797 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.178 -13.216 -9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.477 -13.720 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.967 -13.307 -7.155 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.323 -11.093 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.257 -12.727 -7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.226 -11.252 -7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.580 -9.219 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.285 -9.281 -8.427 1.00 0.00 H new ATOM 453 N LEU A 60 -17.056 -15.150 -6.839 1.00 0.00 N ATOM 454 CA LEU A 60 -15.964 -14.609 -6.050 1.00 0.00 C ATOM 455 C LEU A 60 -14.726 -14.511 -6.926 1.00 0.00 C ATOM 456 O LEU A 60 -14.201 -13.414 -7.046 1.00 0.00 O ATOM 457 CB LEU A 60 -15.665 -15.430 -4.776 1.00 0.00 C ATOM 458 CG LEU A 60 -14.548 -14.731 -3.971 1.00 0.00 C ATOM 459 CD1 LEU A 60 -14.949 -14.670 -2.505 1.00 0.00 C ATOM 460 CD2 LEU A 60 -13.196 -15.438 -4.114 1.00 0.00 C ATOM 0 H LEU A 60 -17.462 -16.002 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.265 -13.621 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.565 -15.521 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.358 -16.441 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.427 -13.725 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.163 -14.177 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.877 -14.108 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.094 -15.681 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.444 -14.908 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.281 -16.463 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.899 -15.447 -5.163 1.00 0.00 H new ATOM 472 N GLN A 61 -14.298 -15.615 -7.554 1.00 0.00 N ATOM 473 CA GLN A 61 -13.159 -15.623 -8.470 1.00 0.00 C ATOM 474 C GLN A 61 -13.281 -14.524 -9.525 1.00 0.00 C ATOM 475 O GLN A 61 -12.316 -13.785 -9.713 1.00 0.00 O ATOM 476 CB GLN A 61 -12.993 -17.013 -9.123 1.00 0.00 C ATOM 477 CG GLN A 61 -12.033 -17.943 -8.359 1.00 0.00 C ATOM 478 CD GLN A 61 -10.601 -17.802 -8.894 1.00 0.00 C ATOM 479 OE1 GLN A 61 -10.039 -16.716 -8.904 1.00 0.00 O ATOM 480 NE2 GLN A 61 -9.960 -18.871 -9.351 1.00 0.00 N ATOM 0 H GLN A 61 -14.737 -16.529 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.261 -15.414 -7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.970 -17.491 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.627 -16.885 -10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.055 -17.703 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.364 -18.977 -8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.420 -19.782 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.008 -18.782 -9.706 1.00 0.00 H new ATOM 489 N GLY A 62 -14.447 -14.377 -10.165 1.00 0.00 N ATOM 490 CA GLY A 62 -14.650 -13.353 -11.181 1.00 0.00 C ATOM 491 C GLY A 62 -14.371 -11.948 -10.633 1.00 0.00 C ATOM 492 O GLY A 62 -13.486 -11.250 -11.133 1.00 0.00 O ATOM 0 H GLY A 62 -15.265 -14.961 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.996 -13.549 -12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.675 -13.403 -11.549 1.00 0.00 H new ATOM 496 N GLU A 63 -15.096 -11.543 -9.587 1.00 0.00 N ATOM 497 CA GLU A 63 -15.036 -10.177 -9.067 1.00 0.00 C ATOM 498 C GLU A 63 -13.670 -9.881 -8.424 1.00 0.00 C ATOM 499 O GLU A 63 -13.077 -8.820 -8.650 1.00 0.00 O ATOM 500 CB GLU A 63 -16.169 -9.966 -8.053 1.00 0.00 C ATOM 501 CG GLU A 63 -17.575 -10.041 -8.669 1.00 0.00 C ATOM 502 CD GLU A 63 -17.805 -8.929 -9.710 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.810 -7.737 -9.318 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.979 -9.248 -10.912 1.00 0.00 O ATOM 0 H GLU A 63 -15.738 -12.151 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.161 -9.483 -9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.086 -10.718 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.042 -8.993 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.714 -11.014 -9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.322 -9.960 -7.880 1.00 0.00 H new ATOM 511 N TYR A 64 -13.150 -10.850 -7.661 1.00 0.00 N ATOM 512 CA TYR A 64 -11.807 -10.819 -7.103 1.00 0.00 C ATOM 513 C TYR A 64 -10.809 -10.524 -8.216 1.00 0.00 C ATOM 514 O TYR A 64 -10.046 -9.565 -8.105 1.00 0.00 O ATOM 515 CB TYR A 64 -11.509 -12.160 -6.410 1.00 0.00 C ATOM 516 CG TYR A 64 -10.050 -12.414 -6.122 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.458 -12.006 -4.912 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.280 -13.070 -7.093 1.00 0.00 C ATOM 519 CE1 TYR A 64 -8.095 -12.261 -4.674 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.923 -13.300 -6.873 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.324 -12.904 -5.667 1.00 0.00 C ATOM 522 OH TYR A 64 -6.002 -13.143 -5.483 1.00 0.00 O ATOM 0 H TYR A 64 -13.668 -11.693 -7.413 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.723 -10.031 -6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.062 -12.198 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.887 -12.968 -7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.050 -11.497 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.740 -13.398 -8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.642 -11.967 -3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.330 -13.785 -7.634 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.638 -13.595 -6.273 1.00 0.00 H new ATOM 532 N ARG A 65 -10.846 -11.304 -9.299 1.00 0.00 N ATOM 533 CA ARG A 65 -9.851 -11.200 -10.352 1.00 0.00 C ATOM 534 C ARG A 65 -9.974 -9.874 -11.086 1.00 0.00 C ATOM 535 O ARG A 65 -8.950 -9.332 -11.501 1.00 0.00 O ATOM 536 CB ARG A 65 -9.935 -12.409 -11.298 1.00 0.00 C ATOM 537 CG ARG A 65 -8.681 -12.510 -12.178 1.00 0.00 C ATOM 538 CD ARG A 65 -8.927 -12.257 -13.662 1.00 0.00 C ATOM 539 NE ARG A 65 -7.661 -12.430 -14.387 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.477 -12.301 -15.707 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.499 -12.000 -16.507 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.261 -12.476 -16.220 1.00 0.00 N ATOM 0 H ARG A 65 -11.559 -12.014 -9.464 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.859 -11.217 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.049 -13.323 -10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.820 -12.320 -11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.942 -11.795 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.248 -13.503 -12.059 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.678 -12.949 -14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.315 -11.250 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.842 -12.672 -13.830 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.431 -11.866 -16.115 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.349 -11.904 -17.511 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.478 -12.707 -15.609 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.113 -12.380 -17.225 1.00 0.00 H new ATOM 556 N SER A 66 -11.180 -9.321 -11.233 1.00 0.00 N ATOM 557 CA SER A 66 -11.339 -7.981 -11.773 1.00 0.00 C ATOM 558 C SER A 66 -10.570 -6.955 -10.932 1.00 0.00 C ATOM 559 O SER A 66 -9.964 -6.053 -11.514 1.00 0.00 O ATOM 560 CB SER A 66 -12.824 -7.609 -11.876 1.00 0.00 C ATOM 561 OG SER A 66 -13.516 -8.529 -12.715 1.00 0.00 O ATOM 0 H SER A 66 -12.055 -9.784 -10.985 1.00 0.00 H new ATOM 0 HA SER A 66 -10.918 -7.969 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.273 -7.606 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.924 -6.599 -12.274 1.00 0.00 H new ATOM 0 HG SER A 66 -13.545 -9.408 -12.283 1.00 0.00 H new ATOM 567 N LEU A 67 -10.549 -7.077 -9.594 1.00 0.00 N ATOM 568 CA LEU A 67 -9.766 -6.151 -8.773 1.00 0.00 C ATOM 569 C LEU A 67 -8.258 -6.448 -8.817 1.00 0.00 C ATOM 570 O LEU A 67 -7.472 -5.529 -9.058 1.00 0.00 O ATOM 571 CB LEU A 67 -10.270 -6.119 -7.319 1.00 0.00 C ATOM 572 CG LEU A 67 -9.535 -5.068 -6.457 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.647 -3.637 -7.005 1.00 0.00 C ATOM 574 CD2 LEU A 67 -10.093 -5.063 -5.032 1.00 0.00 C ATOM 0 H LEU A 67 -11.055 -7.792 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.912 -5.163 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.339 -5.904 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.141 -7.105 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.485 -5.361 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.108 -2.953 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.217 -3.596 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.696 -3.345 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.565 -4.318 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.155 -4.820 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.956 -6.047 -4.584 1.00 0.00 H new ATOM 586 N THR A 68 -7.829 -7.692 -8.572 1.00 0.00 N ATOM 587 CA THR A 68 -6.409 -8.020 -8.409 1.00 0.00 C ATOM 588 C THR A 68 -5.651 -8.068 -9.736 1.00 0.00 C ATOM 589 O THR A 68 -4.465 -7.726 -9.778 1.00 0.00 O ATOM 590 CB THR A 68 -6.267 -9.416 -7.777 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.147 -10.294 -8.449 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.603 -9.431 -6.294 1.00 0.00 C ATOM 0 H THR A 68 -8.452 -8.494 -8.482 1.00 0.00 H new ATOM 0 HA THR A 68 -5.990 -7.232 -7.783 1.00 0.00 H new ATOM 0 HB THR A 68 -5.226 -9.723 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.284 -11.099 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.485 -10.442 -5.904 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.932 -8.756 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.633 -9.105 -6.151 1.00 0.00 H new ATOM 600 N GLY A 69 -6.320 -8.493 -10.813 1.00 0.00 N ATOM 601 CA GLY A 69 -5.670 -8.822 -12.067 1.00 0.00 C ATOM 602 C GLY A 69 -4.956 -10.182 -11.960 1.00 0.00 C ATOM 603 O GLY A 69 -4.062 -10.460 -12.759 1.00 0.00 O ATOM 0 H GLY A 69 -7.332 -8.616 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.407 -8.853 -12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.950 -8.045 -12.326 1.00 0.00 H new ATOM 607 N ASP A 70 -5.328 -11.025 -10.986 1.00 0.00 N ATOM 608 CA ASP A 70 -4.769 -12.358 -10.749 1.00 0.00 C ATOM 609 C ASP A 70 -5.899 -13.277 -10.310 1.00 0.00 C ATOM 610 O ASP A 70 -6.878 -12.801 -9.742 1.00 0.00 O ATOM 611 CB ASP A 70 -3.710 -12.311 -9.633 1.00 0.00 C ATOM 612 CG ASP A 70 -2.894 -13.619 -9.540 1.00 0.00 C ATOM 613 OD1 ASP A 70 -2.831 -14.399 -10.524 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.296 -13.862 -8.463 1.00 0.00 O ATOM 0 H ASP A 70 -6.058 -10.784 -10.315 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.300 -12.719 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.033 -11.476 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.201 -12.123 -8.678 1.00 0.00 H new ATOM 619 N TRP A 71 -5.807 -14.582 -10.549 1.00 0.00 N ATOM 620 CA TRP A 71 -6.788 -15.541 -10.057 1.00 0.00 C ATOM 621 C TRP A 71 -6.428 -15.933 -8.615 1.00 0.00 C ATOM 622 O TRP A 71 -5.288 -15.737 -8.181 1.00 0.00 O ATOM 623 CB TRP A 71 -6.805 -16.765 -10.978 1.00 0.00 C ATOM 624 CG TRP A 71 -7.134 -16.474 -12.412 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.264 -16.500 -13.444 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.419 -16.106 -12.994 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.921 -16.203 -14.620 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.256 -15.941 -14.404 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.706 -15.857 -12.471 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.317 -15.594 -15.252 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.774 -15.473 -13.308 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.586 -15.360 -14.697 1.00 0.00 C ATOM 0 H TRP A 71 -5.051 -15.003 -11.089 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.785 -15.100 -10.056 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.828 -17.247 -10.935 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.531 -17.481 -10.592 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.210 -16.721 -13.361 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.474 -16.180 -15.536 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.876 -15.963 -11.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.161 -15.508 -16.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.743 -15.264 -12.879 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.415 -15.094 -15.336 1.00 0.00 H new ATOM 643 N ILE A 72 -7.403 -16.457 -7.859 1.00 0.00 N ATOM 644 CA ILE A 72 -7.227 -16.824 -6.459 1.00 0.00 C ATOM 645 C ILE A 72 -6.042 -17.807 -6.377 1.00 0.00 C ATOM 646 O ILE A 72 -6.060 -18.825 -7.076 1.00 0.00 O ATOM 647 CB ILE A 72 -8.532 -17.440 -5.889 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.657 -16.395 -5.696 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.280 -18.229 -4.592 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.601 -15.589 -4.394 1.00 0.00 C ATOM 0 H ILE A 72 -8.343 -16.637 -8.212 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.010 -15.945 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.882 -18.144 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.628 -15.699 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.617 -16.909 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.221 -18.642 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.580 -19.040 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.861 -17.564 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.435 -14.888 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.666 -16.267 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.662 -15.038 -4.348 1.00 0.00 H new ATOM 662 N PRO A 73 -5.045 -17.565 -5.509 1.00 0.00 N ATOM 663 CA PRO A 73 -3.876 -18.420 -5.385 1.00 0.00 C ATOM 664 C PRO A 73 -4.162 -19.623 -4.466 1.00 0.00 C ATOM 665 O PRO A 73 -3.347 -19.926 -3.601 1.00 0.00 O ATOM 666 CB PRO A 73 -2.773 -17.485 -4.872 1.00 0.00 C ATOM 667 CG PRO A 73 -3.555 -16.574 -3.934 1.00 0.00 C ATOM 668 CD PRO A 73 -4.879 -16.384 -4.670 1.00 0.00 C ATOM 0 HA PRO A 73 -3.575 -18.883 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.984 -18.029 -4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.298 -16.930 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.699 -17.030 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.043 -15.626 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.706 -16.286 -3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.864 -15.476 -5.273 1.00 0.00 H new ATOM 676 N PHE A 74 -5.328 -20.279 -4.564 1.00 0.00 N ATOM 677 CA PHE A 74 -5.737 -21.308 -3.603 1.00 0.00 C ATOM 678 C PHE A 74 -4.723 -22.453 -3.589 1.00 0.00 C ATOM 679 O PHE A 74 -4.017 -22.649 -2.600 1.00 0.00 O ATOM 680 CB PHE A 74 -7.191 -21.788 -3.832 1.00 0.00 C ATOM 681 CG PHE A 74 -7.475 -22.569 -5.105 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.664 -21.912 -6.335 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.549 -23.975 -5.049 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.936 -22.653 -7.496 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.839 -24.716 -6.209 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.033 -24.055 -7.436 1.00 0.00 C ATOM 0 H PHE A 74 -6.007 -20.111 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.740 -20.861 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.479 -22.409 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.841 -20.913 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.600 -20.835 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.382 -24.486 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.071 -22.144 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.913 -25.792 -6.158 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.255 -24.622 -8.328 1.00 0.00 H new ATOM 696 N LYS A 75 -4.573 -23.156 -4.711 1.00 0.00 N ATOM 697 CA LYS A 75 -3.690 -24.312 -4.832 1.00 0.00 C ATOM 698 C LYS A 75 -2.221 -23.879 -4.772 1.00 0.00 C ATOM 699 O LYS A 75 -1.356 -24.647 -4.355 1.00 0.00 O ATOM 700 CB LYS A 75 -4.043 -25.008 -6.152 1.00 0.00 C ATOM 701 CG LYS A 75 -3.493 -26.441 -6.230 1.00 0.00 C ATOM 702 CD LYS A 75 -3.932 -27.128 -7.530 1.00 0.00 C ATOM 703 CE LYS A 75 -3.354 -28.551 -7.595 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.739 -29.261 -8.847 1.00 0.00 N ATOM 0 H LYS A 75 -5.070 -22.934 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.828 -25.007 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.127 -25.032 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.647 -24.425 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.405 -26.420 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.844 -27.016 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.020 -27.166 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.593 -26.549 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.267 -28.503 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.702 -29.122 -6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.326 -30.216 -8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.775 -29.332 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.385 -28.732 -9.669 1.00 0.00 H new ATOM 718 N GLN A 76 -1.960 -22.635 -5.175 1.00 0.00 N ATOM 719 CA GLN A 76 -0.652 -22.022 -5.268 1.00 0.00 C ATOM 720 C GLN A 76 -0.114 -21.735 -3.856 1.00 0.00 C ATOM 721 O GLN A 76 1.068 -21.976 -3.591 1.00 0.00 O ATOM 722 CB GLN A 76 -0.760 -20.744 -6.135 1.00 0.00 C ATOM 723 CG GLN A 76 -1.343 -20.940 -7.565 1.00 0.00 C ATOM 724 CD GLN A 76 -2.875 -20.803 -7.680 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.636 -21.365 -6.899 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.401 -20.053 -8.636 1.00 0.00 N ATOM 0 H GLN A 76 -2.705 -21.999 -5.460 1.00 0.00 H new ATOM 0 HA GLN A 76 0.059 -22.693 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.381 -20.021 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.233 -20.305 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.879 -20.212 -8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.056 -21.928 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.793 -19.573 -9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.414 -19.955 -8.708 1.00 0.00 H new ATOM 735 N LEU A 77 -0.974 -21.278 -2.930 1.00 0.00 N ATOM 736 CA LEU A 77 -0.661 -21.145 -1.504 1.00 0.00 C ATOM 737 C LEU A 77 -0.757 -22.495 -0.786 1.00 0.00 C ATOM 738 O LEU A 77 -0.071 -22.691 0.219 1.00 0.00 O ATOM 739 CB LEU A 77 -1.579 -20.105 -0.832 1.00 0.00 C ATOM 740 CG LEU A 77 -1.323 -18.645 -1.265 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.384 -17.707 -0.671 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.061 -18.120 -0.858 1.00 0.00 C ATOM 0 H LEU A 77 -1.924 -20.986 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 77 0.368 -20.794 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.616 -20.359 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.456 -20.176 0.249 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.375 -18.654 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.184 -16.684 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.372 -18.009 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.350 -17.762 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.172 -17.089 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.161 -18.161 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.834 -18.737 -1.317 1.00 0.00 H new ATOM 754 N GLY A 78 -1.543 -23.445 -1.311 1.00 0.00 N ATOM 755 CA GLY A 78 -1.570 -24.841 -0.862 1.00 0.00 C ATOM 756 C GLY A 78 -2.920 -25.272 -0.277 1.00 0.00 C ATOM 757 O GLY A 78 -3.014 -26.357 0.298 1.00 0.00 O ATOM 0 H GLY A 78 -2.191 -23.259 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.325 -25.489 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.794 -24.987 -0.110 1.00 0.00 H new ATOM 761 N TYR A 79 -3.962 -24.450 -0.418 1.00 0.00 N ATOM 762 CA TYR A 79 -5.327 -24.790 -0.040 1.00 0.00 C ATOM 763 C TYR A 79 -5.904 -25.669 -1.157 1.00 0.00 C ATOM 764 O TYR A 79 -5.674 -25.359 -2.328 1.00 0.00 O ATOM 765 CB TYR A 79 -6.149 -23.503 0.088 1.00 0.00 C ATOM 766 CG TYR A 79 -5.502 -22.502 1.019 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.581 -22.691 2.407 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.812 -21.393 0.500 1.00 0.00 C ATOM 769 CE1 TYR A 79 -4.949 -21.790 3.276 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.184 -20.483 1.363 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.242 -20.678 2.762 1.00 0.00 C ATOM 772 OH TYR A 79 -3.613 -19.793 3.590 1.00 0.00 O ATOM 0 H TYR A 79 -3.874 -23.511 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.353 -25.318 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.272 -23.053 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.146 -23.746 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.129 -23.531 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.765 -21.241 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.002 -21.946 4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.656 -19.632 0.958 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.180 -19.096 3.055 1.00 0.00 H new ATOM 782 N PRO A 80 -6.661 -26.735 -0.857 1.00 0.00 N ATOM 783 CA PRO A 80 -7.102 -27.660 -1.893 1.00 0.00 C ATOM 784 C PRO A 80 -8.147 -27.054 -2.835 1.00 0.00 C ATOM 785 O PRO A 80 -8.231 -27.477 -3.989 1.00 0.00 O ATOM 786 CB PRO A 80 -7.650 -28.882 -1.138 1.00 0.00 C ATOM 787 CG PRO A 80 -8.083 -28.297 0.207 1.00 0.00 C ATOM 788 CD PRO A 80 -7.001 -27.244 0.460 1.00 0.00 C ATOM 0 HA PRO A 80 -6.275 -27.925 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.487 -29.340 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.890 -29.654 -1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.078 -27.855 0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.108 -29.053 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.368 -26.448 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.132 -27.681 0.952 1.00 0.00 H new ATOM 796 N THR A 81 -8.938 -26.080 -2.369 1.00 0.00 N ATOM 797 CA THR A 81 -10.098 -25.572 -3.095 1.00 0.00 C ATOM 798 C THR A 81 -10.251 -24.068 -2.858 1.00 0.00 C ATOM 799 O THR A 81 -9.645 -23.508 -1.939 1.00 0.00 O ATOM 800 CB THR A 81 -11.339 -26.343 -2.596 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.361 -26.276 -1.182 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.340 -27.817 -3.003 1.00 0.00 C ATOM 0 H THR A 81 -8.786 -25.622 -1.470 1.00 0.00 H new ATOM 0 HA THR A 81 -9.978 -25.721 -4.168 1.00 0.00 H new ATOM 0 HB THR A 81 -12.214 -25.879 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.045 -26.886 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.239 -28.300 -2.620 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.321 -27.894 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.460 -28.309 -2.589 1.00 0.00 H new ATOM 810 N LEU A 82 -11.115 -23.422 -3.653 1.00 0.00 N ATOM 811 CA LEU A 82 -11.497 -22.024 -3.440 1.00 0.00 C ATOM 812 C LEU A 82 -12.136 -21.890 -2.072 1.00 0.00 C ATOM 813 O LEU A 82 -11.815 -20.956 -1.347 1.00 0.00 O ATOM 814 CB LEU A 82 -12.493 -21.537 -4.519 1.00 0.00 C ATOM 815 CG LEU A 82 -11.928 -21.247 -5.926 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.787 -20.230 -5.875 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.464 -22.501 -6.669 1.00 0.00 C ATOM 0 H LEU A 82 -11.566 -23.855 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.599 -21.409 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.276 -22.288 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.969 -20.627 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.763 -20.828 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.414 -20.051 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.152 -19.294 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.980 -20.619 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.079 -22.221 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.677 -22.992 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.305 -23.184 -6.790 1.00 0.00 H new ATOM 829 N GLU A 83 -13.010 -22.833 -1.697 1.00 0.00 N ATOM 830 CA GLU A 83 -13.646 -22.786 -0.390 1.00 0.00 C ATOM 831 C GLU A 83 -12.574 -22.867 0.687 1.00 0.00 C ATOM 832 O GLU A 83 -12.611 -22.041 1.585 1.00 0.00 O ATOM 833 CB GLU A 83 -14.767 -23.832 -0.230 1.00 0.00 C ATOM 834 CG GLU A 83 -14.321 -25.298 -0.193 1.00 0.00 C ATOM 835 CD GLU A 83 -15.496 -26.247 0.080 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.203 -26.647 -0.878 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.712 -26.596 1.268 1.00 0.00 O ATOM 0 H GLU A 83 -13.285 -23.625 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.163 -21.833 -0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.310 -23.615 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.472 -23.708 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.856 -25.560 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.563 -25.427 0.579 1.00 0.00 H new ATOM 844 N ALA A 84 -11.583 -23.765 0.594 1.00 0.00 N ATOM 845 CA ALA A 84 -10.567 -23.913 1.635 1.00 0.00 C ATOM 846 C ALA A 84 -9.740 -22.638 1.805 1.00 0.00 C ATOM 847 O ALA A 84 -9.477 -22.224 2.932 1.00 0.00 O ATOM 848 CB ALA A 84 -9.678 -25.118 1.327 1.00 0.00 C ATOM 0 H ALA A 84 -11.467 -24.400 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.073 -24.087 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -8.923 -25.222 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.288 -26.020 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.188 -24.972 0.365 1.00 0.00 H new ATOM 854 N TYR A 85 -9.375 -21.979 0.701 1.00 0.00 N ATOM 855 CA TYR A 85 -8.733 -20.668 0.755 1.00 0.00 C ATOM 856 C TYR A 85 -9.617 -19.681 1.529 1.00 0.00 C ATOM 857 O TYR A 85 -9.141 -19.022 2.452 1.00 0.00 O ATOM 858 CB TYR A 85 -8.418 -20.195 -0.668 1.00 0.00 C ATOM 859 CG TYR A 85 -8.000 -18.744 -0.752 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.681 -18.358 -0.443 1.00 0.00 C ATOM 861 CD2 TYR A 85 -8.938 -17.771 -1.137 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.294 -17.008 -0.510 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.566 -16.420 -1.198 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.238 -16.031 -0.902 1.00 0.00 C ATOM 865 OH TYR A 85 -6.857 -14.726 -0.996 1.00 0.00 O ATOM 0 H TYR A 85 -9.515 -22.337 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.787 -20.732 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.623 -20.817 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.297 -20.347 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.959 -19.107 -0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.947 -18.064 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.283 -16.719 -0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.296 -15.673 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.621 -14.182 -1.278 1.00 0.00 H new ATOM 875 N LEU A 86 -10.920 -19.618 1.215 1.00 0.00 N ATOM 876 CA LEU A 86 -11.866 -18.720 1.881 1.00 0.00 C ATOM 877 C LEU A 86 -12.125 -19.103 3.357 1.00 0.00 C ATOM 878 O LEU A 86 -12.291 -18.210 4.184 1.00 0.00 O ATOM 879 CB LEU A 86 -13.171 -18.682 1.061 1.00 0.00 C ATOM 880 CG LEU A 86 -12.996 -18.111 -0.360 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.156 -18.549 -1.251 1.00 0.00 C ATOM 882 CD2 LEU A 86 -12.882 -16.585 -0.332 1.00 0.00 C ATOM 0 H LEU A 86 -11.346 -20.193 0.488 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.427 -17.723 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.574 -19.692 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.908 -18.082 1.595 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.068 -18.506 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.021 -18.139 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.183 -19.637 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.094 -18.183 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.759 -16.211 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -13.786 -16.161 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.019 -16.296 0.268 1.00 0.00 H new ATOM 894 N ARG A 87 -12.113 -20.395 3.720 1.00 0.00 N ATOM 895 CA ARG A 87 -12.154 -20.841 5.134 1.00 0.00 C ATOM 896 C ARG A 87 -10.958 -20.270 5.901 1.00 0.00 C ATOM 897 O ARG A 87 -11.096 -19.928 7.073 1.00 0.00 O ATOM 898 CB ARG A 87 -12.101 -22.384 5.306 1.00 0.00 C ATOM 899 CG ARG A 87 -13.420 -23.186 5.257 1.00 0.00 C ATOM 900 CD ARG A 87 -13.930 -23.418 3.832 1.00 0.00 C ATOM 901 NE ARG A 87 -14.814 -24.588 3.639 1.00 0.00 N ATOM 902 CZ ARG A 87 -15.938 -24.954 4.277 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.380 -24.331 5.367 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.625 -25.976 3.793 1.00 0.00 N ATOM 0 H ARG A 87 -12.075 -21.163 3.049 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.107 -20.480 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.446 -22.780 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.624 -22.593 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.271 -24.150 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.182 -22.655 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.467 -22.526 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.069 -23.527 3.173 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.521 -25.224 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.859 -23.542 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.239 -24.643 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.297 -26.462 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.483 -26.278 4.255 1.00 0.00 H new ATOM 918 N SER A 88 -9.796 -20.190 5.254 1.00 0.00 N ATOM 919 CA SER A 88 -8.509 -19.875 5.866 1.00 0.00 C ATOM 920 C SER A 88 -8.274 -18.376 6.122 1.00 0.00 C ATOM 921 O SER A 88 -7.149 -17.985 6.444 1.00 0.00 O ATOM 922 CB SER A 88 -7.404 -20.523 5.025 1.00 0.00 C ATOM 923 OG SER A 88 -7.640 -21.923 4.925 1.00 0.00 O ATOM 0 H SER A 88 -9.724 -20.349 4.249 1.00 0.00 H new ATOM 0 HA SER A 88 -8.499 -20.296 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.380 -20.076 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.431 -20.339 5.481 1.00 0.00 H new ATOM 0 HG SER A 88 -8.287 -22.095 4.209 1.00 0.00 H new ATOM 929 N VAL A 89 -9.303 -17.524 6.007 1.00 0.00 N ATOM 930 CA VAL A 89 -9.222 -16.085 6.290 1.00 0.00 C ATOM 931 C VAL A 89 -10.360 -15.652 7.245 1.00 0.00 C ATOM 932 O VAL A 89 -11.001 -14.624 7.026 1.00 0.00 O ATOM 933 CB VAL A 89 -9.096 -15.350 4.923 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.193 -15.753 3.921 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.984 -13.820 5.005 1.00 0.00 C ATOM 0 H VAL A 89 -10.232 -17.822 5.709 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.335 -15.800 6.856 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.134 -15.700 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.052 -15.208 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.134 -16.824 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.172 -15.513 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.901 -13.407 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.872 -13.416 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.100 -13.550 5.582 1.00 0.00 H new ATOM 945 N PRO A 90 -10.657 -16.392 8.338 1.00 0.00 N ATOM 946 CA PRO A 90 -11.857 -16.152 9.144 1.00 0.00 C ATOM 947 C PRO A 90 -11.816 -14.839 9.946 1.00 0.00 C ATOM 948 O PRO A 90 -12.852 -14.368 10.415 1.00 0.00 O ATOM 949 CB PRO A 90 -11.974 -17.374 10.056 1.00 0.00 C ATOM 950 CG PRO A 90 -10.520 -17.779 10.291 1.00 0.00 C ATOM 951 CD PRO A 90 -9.838 -17.425 8.970 1.00 0.00 C ATOM 0 HA PRO A 90 -12.728 -16.028 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.480 -17.131 10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.543 -18.175 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.082 -17.236 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.430 -18.841 10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.824 -17.063 9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.759 -18.302 8.328 1.00 0.00 H new ATOM 959 N ALA A 91 -10.627 -14.237 10.114 1.00 0.00 N ATOM 960 CA ALA A 91 -10.463 -12.981 10.845 1.00 0.00 C ATOM 961 C ALA A 91 -10.779 -11.755 9.979 1.00 0.00 C ATOM 962 O ALA A 91 -10.814 -10.640 10.507 1.00 0.00 O ATOM 963 CB ALA A 91 -9.034 -12.901 11.392 1.00 0.00 C ATOM 0 H ALA A 91 -9.754 -14.613 9.744 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.178 -12.972 11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.905 -11.967 11.938 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.854 -13.741 12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.325 -12.938 10.565 1.00 0.00 H new ATOM 969 N VAL A 92 -10.983 -11.929 8.666 1.00 0.00 N ATOM 970 CA VAL A 92 -11.163 -10.819 7.723 1.00 0.00 C ATOM 971 C VAL A 92 -12.351 -11.092 6.787 1.00 0.00 C ATOM 972 O VAL A 92 -12.948 -10.155 6.260 1.00 0.00 O ATOM 973 CB VAL A 92 -9.839 -10.570 6.954 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.878 -9.268 6.147 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.598 -10.507 7.863 1.00 0.00 C ATOM 0 H VAL A 92 -11.028 -12.849 8.227 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.403 -9.906 8.268 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.753 -11.432 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.930 -9.135 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.689 -9.315 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.042 -8.427 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.710 -10.330 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.714 -9.695 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.490 -11.451 8.397 1.00 0.00 H new ATOM 985 N VAL A 93 -12.743 -12.352 6.607 1.00 0.00 N ATOM 986 CA VAL A 93 -13.728 -12.812 5.635 1.00 0.00 C ATOM 987 C VAL A 93 -14.623 -13.841 6.345 1.00 0.00 C ATOM 988 O VAL A 93 -14.286 -14.361 7.412 1.00 0.00 O ATOM 989 CB VAL A 93 -12.952 -13.350 4.406 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.741 -14.211 3.400 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.286 -12.186 3.644 1.00 0.00 C ATOM 0 H VAL A 93 -12.362 -13.117 7.164 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.390 -12.031 5.261 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.225 -14.030 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.081 -14.521 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.134 -15.093 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.567 -13.628 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.744 -12.578 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.051 -11.488 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.591 -11.669 4.305 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.793 -14.094 5.770 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.869 -14.911 6.333 1.00 0.00 C ATOM 1003 C ARG A 94 -17.494 -15.660 5.163 1.00 0.00 C ATOM 1004 O ARG A 94 -17.444 -15.161 4.043 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.839 -13.959 7.068 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.233 -14.528 7.404 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.033 -13.621 8.356 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.121 -12.227 7.868 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.398 -11.150 8.619 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.921 -11.291 9.835 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.141 -9.935 8.147 1.00 0.00 N ATOM 0 H ARG A 94 -16.032 -13.717 4.853 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.541 -15.649 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.367 -13.640 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.972 -13.067 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.797 -14.665 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.119 -15.513 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.038 -14.024 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.565 -13.629 9.340 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.957 -12.071 6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.114 -12.223 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.129 -10.467 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.735 -9.824 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.350 -9.113 8.714 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.088 -16.826 5.378 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.729 -17.612 4.324 1.00 0.00 C ATOM 1027 C ILE A 95 -19.988 -18.265 4.901 1.00 0.00 C ATOM 1028 O ILE A 95 -20.065 -18.522 6.105 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.742 -18.651 3.723 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.237 -19.661 4.771 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.538 -17.953 3.050 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.310 -20.745 4.211 1.00 0.00 C ATOM 0 H ILE A 95 -18.141 -17.261 6.299 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.021 -16.964 3.498 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.304 -19.204 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.709 -19.119 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.097 -20.141 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.865 -18.705 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.894 -17.307 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.005 -17.354 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.002 -21.412 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.838 -21.317 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.429 -20.278 3.770 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.959 -18.551 4.035 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.149 -19.320 4.349 1.00 0.00 C ATOM 1046 C GLU A 96 -22.291 -20.351 3.234 1.00 0.00 C ATOM 1047 O GLU A 96 -22.677 -20.016 2.111 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.392 -18.420 4.474 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.362 -17.531 5.728 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.745 -16.925 6.030 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.581 -17.614 6.665 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.012 -15.763 5.637 1.00 0.00 O ATOM 0 H GLU A 96 -20.932 -18.240 3.064 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.059 -19.811 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.468 -17.789 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.285 -19.044 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.028 -18.119 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.636 -16.730 5.589 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.930 -21.601 3.534 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.204 -22.734 2.661 1.00 0.00 C ATOM 1061 C ALA A 97 -23.679 -23.089 2.831 1.00 0.00 C ATOM 1062 O ALA A 97 -24.105 -23.488 3.917 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.284 -23.909 3.000 1.00 0.00 C ATOM 0 H ALA A 97 -21.439 -21.851 4.392 1.00 0.00 H new ATOM 0 HA ALA A 97 -22.006 -22.485 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.504 -24.746 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.245 -23.607 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.447 -24.212 4.034 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.664 -21.760 -1.799 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.045 -21.090 -0.666 1.00 0.00 C ATOM 1139 C ILE A 103 -20.923 -19.624 -1.031 1.00 0.00 C ATOM 1140 O ILE A 103 -20.184 -19.278 -1.951 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.731 -21.804 -0.257 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -18.908 -21.095 0.835 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.819 -22.211 -1.417 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.048 -19.907 0.369 1.00 0.00 C ATOM 0 HA ILE A 103 -21.648 -21.145 0.241 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.127 -22.721 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.593 -20.742 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.253 -21.830 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.928 -22.702 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.352 -22.898 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.527 -21.324 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.514 -19.487 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.330 -20.248 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.690 -19.143 -0.069 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.695 -18.778 -0.356 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.655 -17.338 -0.546 1.00 0.00 C ATOM 1158 C VAL A 104 -20.602 -16.805 0.419 1.00 0.00 C ATOM 1159 O VAL A 104 -20.535 -17.224 1.573 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.046 -16.705 -0.306 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.049 -15.261 -0.833 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.182 -17.470 -1.001 1.00 0.00 C ATOM 0 H VAL A 104 -22.372 -19.079 0.345 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.392 -17.079 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.224 -16.741 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.029 -14.814 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.290 -14.681 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.830 -15.263 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.132 -16.977 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.006 -17.484 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.215 -18.493 -0.625 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.766 -15.896 -0.066 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.639 -15.332 0.656 1.00 0.00 C ATOM 1174 C CYS A 105 -18.976 -13.896 1.038 1.00 0.00 C ATOM 1175 O CYS A 105 -19.660 -13.221 0.269 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.424 -15.347 -0.276 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.294 -16.927 -1.167 1.00 0.00 S ATOM 0 H CYS A 105 -19.860 -15.519 -1.009 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.424 -15.906 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.502 -14.529 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.516 -15.178 0.303 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.137 -16.938 -2.157 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.447 -13.423 2.163 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.744 -12.125 2.770 1.00 0.00 C ATOM 1185 C TYR A 106 -17.493 -11.554 3.426 1.00 0.00 C ATOM 1186 O TYR A 106 -16.526 -12.277 3.650 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.812 -12.321 3.852 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.155 -12.743 3.312 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.996 -11.775 2.734 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.554 -14.091 3.393 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.277 -12.142 2.297 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.818 -14.470 2.918 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.691 -13.498 2.373 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.922 -13.882 1.926 1.00 0.00 O ATOM 0 H TYR A 106 -17.767 -13.958 2.703 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.094 -11.440 1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.464 -13.072 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.930 -11.390 4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.657 -10.755 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.890 -14.829 3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.948 -11.393 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.126 -15.504 2.968 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.031 -14.847 2.057 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.517 -10.268 3.775 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.427 -9.639 4.509 1.00 0.00 C ATOM 1206 C ALA A 107 -16.678 -9.749 6.013 1.00 0.00 C ATOM 1207 O ALA A 107 -17.798 -10.020 6.448 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.317 -8.165 4.104 1.00 0.00 C ATOM 0 H ALA A 107 -18.289 -9.639 3.557 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.493 -10.148 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.501 -7.696 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.120 -8.095 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.251 -7.653 4.335 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.635 -9.465 6.789 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.692 -9.359 8.252 1.00 0.00 C ATOM 1216 C VAL A 108 -14.802 -8.219 8.791 1.00 0.00 C ATOM 1217 O VAL A 108 -15.138 -7.643 9.830 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.404 -10.754 8.876 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.337 -10.797 9.980 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.698 -11.348 9.445 1.00 0.00 C ATOM 0 H VAL A 108 -14.702 -9.297 6.413 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.696 -9.070 8.561 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.001 -11.334 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.224 -11.821 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.386 -10.445 9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.643 -10.156 10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.489 -12.325 9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.095 -10.685 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.431 -11.456 8.646 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.714 -7.850 8.102 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.853 -6.718 8.450 1.00 0.00 C ATOM 1232 C ALA A 109 -12.266 -6.133 7.162 1.00 0.00 C ATOM 1233 O ALA A 109 -12.826 -6.433 6.084 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.747 -7.162 9.421 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.279 -5.362 7.224 1.00 0.00 O ATOM 0 H ALA A 109 -13.403 -8.345 7.266 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.436 -5.948 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.116 -6.308 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.199 -7.556 10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.141 -7.937 8.952 1.00 0.00 H new