USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 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 52 SER OG : rot -135:sc= 0.896 USER MOD Set 1.2: A 73 THR OG1 : rot 110:sc= 1.05 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= -0.481 (180deg=-1.26) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 59:sc= 0.0133 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= -1.63! USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -28:sc= 1.31 USER MOD Single : A 81 SER OG : rot 51:sc= 0.949 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00573 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -8.28! C(o=-8.3!,f=-8.3!) USER MOD Single : A 92 SER OG : rot 22:sc= -1.57 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 14.134 16.966 -3.835 1.00 0.00 N ATOM 86 CA GLY A 9 12.907 16.820 -4.596 1.00 0.00 C ATOM 87 C GLY A 9 11.671 17.085 -3.760 1.00 0.00 C ATOM 88 O GLY A 9 11.772 17.420 -2.579 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.924 17.507 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.855 15.811 -5.006 1.00 0.00 H new ATOM 92 N ASP A 10 10.502 16.938 -4.372 1.00 0.00 N ATOM 93 CA ASP A 10 9.240 17.165 -3.677 1.00 0.00 C ATOM 94 C ASP A 10 8.306 15.971 -3.842 1.00 0.00 C ATOM 95 O ASP A 10 7.584 15.867 -4.833 1.00 0.00 O ATOM 96 CB ASP A 10 8.565 18.433 -4.202 1.00 0.00 C ATOM 97 CG ASP A 10 9.435 19.663 -4.037 1.00 0.00 C ATOM 98 OD1 ASP A 10 10.631 19.596 -4.392 1.00 0.00 O ATOM 99 OD2 ASP A 10 8.920 20.693 -3.554 1.00 0.00 O ATOM 0 H ASP A 10 10.401 16.662 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 10 9.456 17.290 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.323 18.302 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.623 18.584 -3.675 1.00 0.00 H new ATOM 104 N ALA A 11 8.327 15.070 -2.865 1.00 0.00 N ATOM 105 CA ALA A 11 7.481 13.883 -2.902 1.00 0.00 C ATOM 106 C ALA A 11 6.034 14.250 -3.211 1.00 0.00 C ATOM 107 O ALA A 11 5.302 13.469 -3.820 1.00 0.00 O ATOM 108 CB ALA A 11 7.567 13.133 -1.581 1.00 0.00 C ATOM 0 H ALA A 11 8.920 15.139 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 11 7.842 13.234 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.931 12.249 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.598 12.830 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.234 13.782 -0.772 1.00 0.00 H new ATOM 114 N ARG A 12 5.626 15.442 -2.787 1.00 0.00 N ATOM 115 CA ARG A 12 4.265 15.911 -3.018 1.00 0.00 C ATOM 116 C ARG A 12 3.929 15.893 -4.506 1.00 0.00 C ATOM 117 O ARG A 12 2.843 15.469 -4.903 1.00 0.00 O ATOM 118 CB ARG A 12 4.089 17.324 -2.461 1.00 0.00 C ATOM 119 CG ARG A 12 3.901 17.366 -0.953 1.00 0.00 C ATOM 120 CD ARG A 12 5.211 17.115 -0.222 1.00 0.00 C ATOM 121 NE ARG A 12 5.118 17.448 1.197 1.00 0.00 N ATOM 122 CZ ARG A 12 4.429 16.731 2.077 1.00 0.00 C ATOM 123 NH1 ARG A 12 3.776 15.645 1.686 1.00 0.00 N ATOM 124 NH2 ARG A 12 4.392 17.099 3.351 1.00 0.00 N ATOM 0 H ARG A 12 6.219 16.100 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 12 3.582 15.237 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.961 17.921 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.227 17.789 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.501 18.337 -0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.167 16.617 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.492 16.068 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.002 17.707 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 12 5.610 18.277 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.802 15.359 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.247 15.096 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.893 17.934 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.862 16.547 4.026 1.00 0.00 H new ATOM 138 N ARG A 13 4.868 16.357 -5.325 1.00 0.00 N ATOM 139 CA ARG A 13 4.670 16.396 -6.769 1.00 0.00 C ATOM 140 C ARG A 13 4.739 14.994 -7.366 1.00 0.00 C ATOM 141 O ARG A 13 4.071 14.696 -8.355 1.00 0.00 O ATOM 142 CB ARG A 13 5.722 17.293 -7.425 1.00 0.00 C ATOM 143 CG ARG A 13 5.779 18.694 -6.838 1.00 0.00 C ATOM 144 CD ARG A 13 6.329 19.696 -7.841 1.00 0.00 C ATOM 145 NE ARG A 13 6.270 21.065 -7.336 1.00 0.00 N ATOM 146 CZ ARG A 13 6.434 22.139 -8.101 1.00 0.00 C ATOM 147 NH1 ARG A 13 6.666 22.002 -9.400 1.00 0.00 N ATOM 148 NH2 ARG A 13 6.367 23.352 -7.568 1.00 0.00 N ATOM 0 H ARG A 13 5.772 16.711 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 13 3.679 16.806 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.701 16.825 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.513 17.364 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.780 19.000 -6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.404 18.691 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.362 19.441 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.762 19.628 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 13 6.093 21.204 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.719 21.071 -9.813 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.792 22.828 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.189 23.461 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.493 24.175 -8.157 1.00 0.00 H new ATOM 162 N ALA A 14 5.552 14.136 -6.757 1.00 0.00 N ATOM 163 CA ALA A 14 5.707 12.765 -7.227 1.00 0.00 C ATOM 164 C ALA A 14 4.351 12.121 -7.496 1.00 0.00 C ATOM 165 O ALA A 14 3.382 12.366 -6.778 1.00 0.00 O ATOM 166 CB ALA A 14 6.491 11.946 -6.213 1.00 0.00 C ATOM 0 H ALA A 14 6.113 14.367 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 14 6.261 12.788 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.599 10.924 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.477 12.388 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.959 11.938 -5.262 1.00 0.00 H new ATOM 172 N LYS A 15 4.290 11.295 -8.535 1.00 0.00 N ATOM 173 CA LYS A 15 3.053 10.614 -8.900 1.00 0.00 C ATOM 174 C LYS A 15 3.297 9.125 -9.119 1.00 0.00 C ATOM 175 O LYS A 15 4.385 8.717 -9.528 1.00 0.00 O ATOM 176 CB LYS A 15 2.459 11.236 -10.165 1.00 0.00 C ATOM 177 CG LYS A 15 1.498 12.379 -9.888 1.00 0.00 C ATOM 178 CD LYS A 15 0.074 11.880 -9.710 1.00 0.00 C ATOM 179 CE LYS A 15 -0.669 11.830 -11.037 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.380 10.577 -11.788 1.00 0.00 N ATOM 0 H LYS A 15 5.083 11.081 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 15 2.346 10.732 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.270 11.599 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.938 10.463 -10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.813 12.911 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.534 13.093 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.089 10.886 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.458 12.533 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.741 11.906 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.387 12.690 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.170 10.368 -12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.494 10.696 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.262 9.790 -11.118 1.00 0.00 H new ATOM 194 N VAL A 16 2.278 8.316 -8.846 1.00 0.00 N ATOM 195 CA VAL A 16 2.381 6.872 -9.016 1.00 0.00 C ATOM 196 C VAL A 16 1.143 6.311 -9.708 1.00 0.00 C ATOM 197 O VAL A 16 0.025 6.447 -9.211 1.00 0.00 O ATOM 198 CB VAL A 16 2.567 6.159 -7.664 1.00 0.00 C ATOM 199 CG1 VAL A 16 3.815 6.668 -6.959 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.336 6.348 -6.789 1.00 0.00 C ATOM 0 H VAL A 16 1.371 8.637 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 16 3.257 6.688 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 16 2.693 5.092 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.930 6.153 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.689 6.477 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.722 7.740 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.484 5.838 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.177 7.411 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.464 5.930 -7.293 1.00 0.00 H new ATOM 210 N TYR A 17 1.351 5.678 -10.858 1.00 0.00 N ATOM 211 CA TYR A 17 0.252 5.097 -11.620 1.00 0.00 C ATOM 212 C TYR A 17 0.630 3.720 -12.157 1.00 0.00 C ATOM 213 O TYR A 17 1.686 3.547 -12.765 1.00 0.00 O ATOM 214 CB TYR A 17 -0.138 6.019 -12.777 1.00 0.00 C ATOM 215 CG TYR A 17 1.043 6.695 -13.437 1.00 0.00 C ATOM 216 CD1 TYR A 17 1.845 6.009 -14.341 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.356 8.019 -13.157 1.00 0.00 C ATOM 218 CE1 TYR A 17 2.925 6.623 -14.946 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.434 8.641 -13.758 1.00 0.00 C ATOM 220 CZ TYR A 17 3.215 7.939 -14.651 1.00 0.00 C ATOM 221 OH TYR A 17 4.289 8.553 -15.253 1.00 0.00 O ATOM 0 H TYR A 17 2.270 5.554 -11.282 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.601 4.984 -10.951 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.679 5.440 -13.525 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.823 6.782 -12.407 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.620 4.979 -14.575 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.746 8.572 -12.458 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.539 6.076 -15.646 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.663 9.671 -13.529 1.00 0.00 H new ATOM 0 HH TYR A 17 4.355 9.479 -14.938 1.00 0.00 H new ATOM 231 N GLY A 18 -0.242 2.743 -11.928 1.00 0.00 N ATOM 232 CA GLY A 18 0.017 1.394 -12.396 1.00 0.00 C ATOM 233 C GLY A 18 -0.939 0.380 -11.799 1.00 0.00 C ATOM 234 O GLY A 18 -1.475 0.588 -10.710 1.00 0.00 O ATOM 0 H GLY A 18 -1.123 2.861 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.063 1.368 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.040 1.116 -12.145 1.00 0.00 H new ATOM 238 N ARG A 19 -1.156 -0.719 -12.513 1.00 0.00 N ATOM 239 CA ARG A 19 -2.056 -1.768 -12.048 1.00 0.00 C ATOM 240 C ARG A 19 -1.636 -2.275 -10.672 1.00 0.00 C ATOM 241 O ARG A 19 -2.468 -2.452 -9.784 1.00 0.00 O ATOM 242 CB ARG A 19 -2.080 -2.928 -13.045 1.00 0.00 C ATOM 243 CG ARG A 19 -3.268 -3.858 -12.868 1.00 0.00 C ATOM 244 CD ARG A 19 -3.657 -4.522 -14.180 1.00 0.00 C ATOM 245 NE ARG A 19 -2.772 -5.635 -14.514 1.00 0.00 N ATOM 246 CZ ARG A 19 -2.696 -6.753 -13.801 1.00 0.00 C ATOM 247 NH1 ARG A 19 -3.448 -6.906 -12.720 1.00 0.00 N ATOM 248 NH2 ARG A 19 -1.866 -7.721 -14.169 1.00 0.00 N ATOM 0 H ARG A 19 -0.721 -0.907 -13.416 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.057 -1.344 -11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.092 -2.525 -14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.160 -3.504 -12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.026 -4.623 -12.130 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.116 -3.296 -12.478 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.683 -4.883 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.630 -3.784 -14.982 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.180 -5.549 -15.340 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.087 -6.164 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.388 -7.766 -12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.286 -7.607 -15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.808 -8.579 -13.621 1.00 0.00 H new ATOM 262 N GLY A 20 -0.337 -2.507 -10.503 1.00 0.00 N ATOM 263 CA GLY A 20 0.170 -2.992 -9.233 1.00 0.00 C ATOM 264 C GLY A 20 -0.127 -2.043 -8.089 1.00 0.00 C ATOM 265 O GLY A 20 0.066 -2.386 -6.922 1.00 0.00 O ATOM 0 H GLY A 20 0.372 -2.368 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.271 -3.965 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.247 -3.140 -9.308 1.00 0.00 H new ATOM 269 N LEU A 21 -0.597 -0.846 -8.423 1.00 0.00 N ATOM 270 CA LEU A 21 -0.921 0.157 -7.414 1.00 0.00 C ATOM 271 C LEU A 21 -2.411 0.139 -7.087 1.00 0.00 C ATOM 272 O LEU A 21 -2.821 0.531 -5.995 1.00 0.00 O ATOM 273 CB LEU A 21 -0.511 1.548 -7.900 1.00 0.00 C ATOM 274 CG LEU A 21 0.972 1.736 -8.224 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.191 3.032 -8.989 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.803 1.719 -6.949 1.00 0.00 C ATOM 0 H LEU A 21 -0.762 -0.546 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.366 -0.083 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.090 1.784 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.791 2.275 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 21 1.295 0.907 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.252 3.149 -9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.626 3.004 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.852 3.873 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.855 1.854 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.479 2.527 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.670 0.764 -6.441 1.00 0.00 H new ATOM 288 N SER A 22 -3.215 -0.320 -8.040 1.00 0.00 N ATOM 289 CA SER A 22 -4.660 -0.388 -7.854 1.00 0.00 C ATOM 290 C SER A 22 -5.096 -1.806 -7.499 1.00 0.00 C ATOM 291 O SER A 22 -5.772 -2.025 -6.494 1.00 0.00 O ATOM 292 CB SER A 22 -5.381 0.077 -9.120 1.00 0.00 C ATOM 293 OG SER A 22 -6.685 0.545 -8.822 1.00 0.00 O ATOM 0 H SER A 22 -2.891 -0.650 -8.949 1.00 0.00 H new ATOM 0 HA SER A 22 -4.926 0.273 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.807 0.871 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.441 -0.747 -9.832 1.00 0.00 H new ATOM 0 HG SER A 22 -7.124 0.838 -9.648 1.00 0.00 H new ATOM 299 N GLU A 23 -4.703 -2.766 -8.331 1.00 0.00 N ATOM 300 CA GLU A 23 -5.053 -4.163 -8.105 1.00 0.00 C ATOM 301 C GLU A 23 -3.862 -5.075 -8.385 1.00 0.00 C ATOM 302 O GLU A 23 -2.772 -4.608 -8.711 1.00 0.00 O ATOM 303 CB GLU A 23 -6.236 -4.564 -8.989 1.00 0.00 C ATOM 304 CG GLU A 23 -7.313 -3.497 -9.086 1.00 0.00 C ATOM 305 CD GLU A 23 -8.406 -3.858 -10.073 1.00 0.00 C ATOM 306 OE1 GLU A 23 -8.954 -4.975 -9.969 1.00 0.00 O ATOM 307 OE2 GLU A 23 -8.713 -3.023 -10.949 1.00 0.00 O ATOM 0 H GLU A 23 -4.142 -2.601 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.336 -4.276 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.870 -4.791 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.678 -5.480 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.755 -3.342 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.857 -2.553 -9.384 1.00 0.00 H new ATOM 314 N GLY A 24 -4.081 -6.380 -8.256 1.00 0.00 N ATOM 315 CA GLY A 24 -3.017 -7.338 -8.498 1.00 0.00 C ATOM 316 C GLY A 24 -3.497 -8.773 -8.405 1.00 0.00 C ATOM 317 O GLY A 24 -4.653 -9.027 -8.067 1.00 0.00 O ATOM 0 H GLY A 24 -4.975 -6.791 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.593 -7.163 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.217 -7.178 -7.775 1.00 0.00 H new ATOM 321 N ARG A 25 -2.607 -9.713 -8.707 1.00 0.00 N ATOM 322 CA ARG A 25 -2.947 -11.130 -8.659 1.00 0.00 C ATOM 323 C ARG A 25 -1.740 -11.965 -8.242 1.00 0.00 C ATOM 324 O ARG A 25 -0.607 -11.676 -8.630 1.00 0.00 O ATOM 325 CB ARG A 25 -3.460 -11.600 -10.021 1.00 0.00 C ATOM 326 CG ARG A 25 -4.966 -11.478 -10.180 1.00 0.00 C ATOM 327 CD ARG A 25 -5.495 -12.439 -11.235 1.00 0.00 C ATOM 328 NE ARG A 25 -6.720 -11.946 -11.858 1.00 0.00 N ATOM 329 CZ ARG A 25 -7.281 -12.510 -12.923 1.00 0.00 C ATOM 330 NH1 ARG A 25 -6.729 -13.580 -13.478 1.00 0.00 N ATOM 331 NH2 ARG A 25 -8.396 -12.004 -13.433 1.00 0.00 N ATOM 0 H ARG A 25 -1.646 -9.519 -8.987 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.734 -11.264 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.972 -11.019 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.171 -12.640 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.451 -11.681 -9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.222 -10.455 -10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.734 -12.591 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.686 -13.410 -10.778 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.170 -11.124 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.872 -13.972 -13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.161 -14.011 -14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.824 -11.181 -13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.826 -12.438 -14.250 1.00 0.00 H new ATOM 345 N THR A 26 -1.989 -13.001 -7.448 1.00 0.00 N ATOM 346 CA THR A 26 -0.924 -13.877 -6.976 1.00 0.00 C ATOM 347 C THR A 26 -0.253 -14.602 -8.138 1.00 0.00 C ATOM 348 O THR A 26 -0.879 -14.858 -9.167 1.00 0.00 O ATOM 349 CB THR A 26 -1.455 -14.918 -5.974 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.469 -15.720 -6.591 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.021 -14.239 -4.736 1.00 0.00 C ATOM 0 H THR A 26 -2.920 -13.254 -7.118 1.00 0.00 H new ATOM 0 HA THR A 26 -0.192 -13.243 -6.475 1.00 0.00 H new ATOM 0 HB THR A 26 -0.624 -15.555 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.800 -16.381 -5.947 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.390 -14.995 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.239 -13.654 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.840 -13.581 -5.025 1.00 0.00 H new ATOM 359 N PHE A 27 1.023 -14.930 -7.967 1.00 0.00 N ATOM 360 CA PHE A 27 1.778 -15.626 -9.002 1.00 0.00 C ATOM 361 C PHE A 27 1.774 -14.832 -10.305 1.00 0.00 C ATOM 362 O PHE A 27 1.933 -15.395 -11.387 1.00 0.00 O ATOM 363 CB PHE A 27 1.194 -17.020 -9.240 1.00 0.00 C ATOM 364 CG PHE A 27 1.495 -17.993 -8.135 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.229 -17.667 -6.815 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.046 -19.233 -8.418 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.505 -18.560 -5.797 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.323 -20.130 -7.404 1.00 0.00 C ATOM 369 CZ PHE A 27 2.054 -19.793 -6.092 1.00 0.00 C ATOM 0 H PHE A 27 1.556 -14.725 -7.122 1.00 0.00 H new ATOM 0 HA PHE A 27 2.808 -15.725 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.113 -16.937 -9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.586 -17.414 -10.177 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.801 -16.704 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.261 -19.501 -9.442 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.292 -18.294 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.750 -21.094 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.272 -20.492 -5.298 1.00 0.00 H new ATOM 379 N GLU A 28 1.592 -13.520 -10.191 1.00 0.00 N ATOM 380 CA GLU A 28 1.566 -12.649 -11.360 1.00 0.00 C ATOM 381 C GLU A 28 2.421 -11.406 -11.131 1.00 0.00 C ATOM 382 O GLU A 28 2.185 -10.640 -10.197 1.00 0.00 O ATOM 383 CB GLU A 28 0.128 -12.238 -11.686 1.00 0.00 C ATOM 384 CG GLU A 28 -0.574 -13.188 -12.642 1.00 0.00 C ATOM 385 CD GLU A 28 -2.000 -12.767 -12.940 1.00 0.00 C ATOM 386 OE1 GLU A 28 -2.248 -11.548 -13.050 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.867 -13.657 -13.065 1.00 0.00 O ATOM 0 H GLU A 28 1.461 -13.038 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 28 1.978 -13.203 -12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.443 -12.180 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.134 -11.238 -12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.012 -13.240 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.577 -14.191 -12.215 1.00 0.00 H new ATOM 394 N MET A 29 3.417 -11.214 -11.991 1.00 0.00 N ATOM 395 CA MET A 29 4.307 -10.064 -11.883 1.00 0.00 C ATOM 396 C MET A 29 3.528 -8.759 -12.011 1.00 0.00 C ATOM 397 O MET A 29 2.994 -8.446 -13.074 1.00 0.00 O ATOM 398 CB MET A 29 5.393 -10.131 -12.958 1.00 0.00 C ATOM 399 CG MET A 29 6.700 -9.475 -12.544 1.00 0.00 C ATOM 400 SD MET A 29 7.811 -10.613 -11.695 1.00 0.00 S ATOM 401 CE MET A 29 8.802 -9.469 -10.738 1.00 0.00 C ATOM 0 H MET A 29 3.627 -11.839 -12.769 1.00 0.00 H new ATOM 0 HA MET A 29 4.777 -10.090 -10.900 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.583 -11.175 -13.206 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.026 -9.650 -13.864 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.199 -9.079 -13.428 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.486 -8.628 -11.892 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.539 -10.024 -10.157 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.314 -8.781 -11.410 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.157 -8.905 -10.064 1.00 0.00 H new ATOM 411 N SER A 30 3.469 -8.001 -10.920 1.00 0.00 N ATOM 412 CA SER A 30 2.751 -6.732 -10.910 1.00 0.00 C ATOM 413 C SER A 30 3.712 -5.567 -10.688 1.00 0.00 C ATOM 414 O SER A 30 4.348 -5.464 -9.639 1.00 0.00 O ATOM 415 CB SER A 30 1.678 -6.737 -9.820 1.00 0.00 C ATOM 416 OG SER A 30 0.670 -7.693 -10.101 1.00 0.00 O ATOM 0 H SER A 30 3.909 -8.244 -10.033 1.00 0.00 H new ATOM 0 HA SER A 30 2.271 -6.606 -11.881 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.136 -6.959 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.232 -5.746 -9.740 1.00 0.00 H new ATOM 0 HG SER A 30 1.074 -8.583 -10.174 1.00 0.00 H new ATOM 422 N ASP A 31 3.811 -4.693 -11.684 1.00 0.00 N ATOM 423 CA ASP A 31 4.693 -3.534 -11.598 1.00 0.00 C ATOM 424 C ASP A 31 3.922 -2.245 -11.864 1.00 0.00 C ATOM 425 O ASP A 31 2.732 -2.274 -12.177 1.00 0.00 O ATOM 426 CB ASP A 31 5.845 -3.669 -12.595 1.00 0.00 C ATOM 427 CG ASP A 31 5.375 -4.109 -13.968 1.00 0.00 C ATOM 428 OD1 ASP A 31 5.132 -5.320 -14.151 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.250 -3.243 -14.859 1.00 0.00 O ATOM 0 H ASP A 31 3.292 -4.765 -12.559 1.00 0.00 H new ATOM 0 HA ASP A 31 5.100 -3.491 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.362 -2.713 -12.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.569 -4.389 -12.214 1.00 0.00 H new ATOM 434 N PHE A 32 4.608 -1.114 -11.735 1.00 0.00 N ATOM 435 CA PHE A 32 3.988 0.187 -11.959 1.00 0.00 C ATOM 436 C PHE A 32 5.047 1.263 -12.180 1.00 0.00 C ATOM 437 O PHE A 32 6.237 1.031 -11.966 1.00 0.00 O ATOM 438 CB PHE A 32 3.101 0.564 -10.771 1.00 0.00 C ATOM 439 CG PHE A 32 3.807 0.484 -9.447 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.511 1.571 -8.956 1.00 0.00 C ATOM 441 CD2 PHE A 32 3.766 -0.678 -8.694 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.162 1.500 -7.738 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.414 -0.755 -7.476 1.00 0.00 C ATOM 444 CZ PHE A 32 5.112 0.336 -6.997 1.00 0.00 C ATOM 0 H PHE A 32 5.594 -1.072 -11.476 1.00 0.00 H new ATOM 0 HA PHE A 32 3.372 0.119 -12.856 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.727 1.578 -10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.233 -0.096 -10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.552 2.484 -9.531 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.221 -1.534 -9.063 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.709 2.354 -7.367 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.375 -1.667 -6.899 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.618 0.279 -6.045 1.00 0.00 H new ATOM 454 N ILE A 33 4.604 2.440 -12.611 1.00 0.00 N ATOM 455 CA ILE A 33 5.513 3.552 -12.861 1.00 0.00 C ATOM 456 C ILE A 33 5.500 4.543 -11.702 1.00 0.00 C ATOM 457 O ILE A 33 4.507 4.663 -10.984 1.00 0.00 O ATOM 458 CB ILE A 33 5.150 4.294 -14.160 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.714 3.551 -15.373 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.672 5.723 -14.118 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.193 3.252 -15.264 1.00 0.00 C ATOM 0 H ILE A 33 3.622 2.648 -12.794 1.00 0.00 H new ATOM 0 HA ILE A 33 6.512 3.127 -12.962 1.00 0.00 H new ATOM 0 HB ILE A 33 4.064 4.327 -14.250 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.171 2.615 -15.500 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.537 4.147 -16.268 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.407 6.234 -15.043 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.227 6.248 -13.273 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.756 5.711 -14.007 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.524 2.724 -16.158 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.747 4.186 -15.167 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.375 2.630 -14.388 1.00 0.00 H new ATOM 473 N VAL A 34 6.610 5.253 -11.525 1.00 0.00 N ATOM 474 CA VAL A 34 6.726 6.237 -10.456 1.00 0.00 C ATOM 475 C VAL A 34 7.238 7.571 -10.988 1.00 0.00 C ATOM 476 O VAL A 34 8.441 7.758 -11.169 1.00 0.00 O ATOM 477 CB VAL A 34 7.670 5.746 -9.342 1.00 0.00 C ATOM 478 CG1 VAL A 34 7.866 6.829 -8.292 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.130 4.471 -8.710 1.00 0.00 C ATOM 0 H VAL A 34 7.442 5.165 -12.109 1.00 0.00 H new ATOM 0 HA VAL A 34 5.727 6.374 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 34 8.641 5.523 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.536 6.464 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.300 7.714 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.903 7.087 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.809 4.138 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.147 4.666 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.046 3.695 -9.471 1.00 0.00 H new ATOM 489 N ASP A 35 6.316 8.494 -11.238 1.00 0.00 N ATOM 490 CA ASP A 35 6.674 9.812 -11.749 1.00 0.00 C ATOM 491 C ASP A 35 7.500 10.586 -10.726 1.00 0.00 C ATOM 492 O ASP A 35 6.988 11.008 -9.688 1.00 0.00 O ATOM 493 CB ASP A 35 5.415 10.602 -12.108 1.00 0.00 C ATOM 494 CG ASP A 35 5.602 12.098 -11.941 1.00 0.00 C ATOM 495 OD1 ASP A 35 5.351 12.606 -10.829 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.998 12.760 -12.924 1.00 0.00 O ATOM 0 H ASP A 35 5.316 8.354 -11.095 1.00 0.00 H new ATOM 0 HA ASP A 35 7.277 9.675 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.136 10.387 -13.140 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.589 10.270 -11.479 1.00 0.00 H new ATOM 501 N THR A 36 8.783 10.769 -11.025 1.00 0.00 N ATOM 502 CA THR A 36 9.680 11.489 -10.131 1.00 0.00 C ATOM 503 C THR A 36 10.341 12.663 -10.844 1.00 0.00 C ATOM 504 O THR A 36 10.800 13.611 -10.206 1.00 0.00 O ATOM 505 CB THR A 36 10.775 10.563 -9.568 1.00 0.00 C ATOM 506 OG1 THR A 36 11.486 9.937 -10.641 1.00 0.00 O ATOM 507 CG2 THR A 36 10.171 9.499 -8.664 1.00 0.00 C ATOM 0 H THR A 36 9.223 10.428 -11.880 1.00 0.00 H new ATOM 0 HA THR A 36 9.072 11.863 -9.307 1.00 0.00 H new ATOM 0 HB THR A 36 11.465 11.168 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.181 9.351 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.963 8.857 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.655 9.978 -7.832 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.462 8.898 -9.233 1.00 0.00 H new ATOM 515 N ARG A 37 10.386 12.594 -12.171 1.00 0.00 N ATOM 516 CA ARG A 37 10.991 13.652 -12.971 1.00 0.00 C ATOM 517 C ARG A 37 10.430 15.017 -12.582 1.00 0.00 C ATOM 518 O ARG A 37 11.166 15.999 -12.491 1.00 0.00 O ATOM 519 CB ARG A 37 10.751 13.395 -14.460 1.00 0.00 C ATOM 520 CG ARG A 37 9.369 12.843 -14.768 1.00 0.00 C ATOM 521 CD ARG A 37 9.090 12.842 -16.263 1.00 0.00 C ATOM 522 NE ARG A 37 7.668 12.684 -16.554 1.00 0.00 N ATOM 523 CZ ARG A 37 7.154 12.772 -17.776 1.00 0.00 C ATOM 524 NH1 ARG A 37 7.942 13.014 -18.814 1.00 0.00 N ATOM 525 NH2 ARG A 37 5.849 12.616 -17.961 1.00 0.00 N ATOM 0 H ARG A 37 10.011 11.817 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 37 12.064 13.651 -12.777 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.891 14.327 -15.008 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.502 12.695 -14.825 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.287 11.827 -14.381 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.615 13.441 -14.256 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.448 13.775 -16.699 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.649 12.034 -16.736 1.00 0.00 H new ATOM 0 HE ARG A 37 7.035 12.496 -15.777 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.946 13.133 -18.676 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.545 13.081 -19.751 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.240 12.428 -17.165 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.455 12.684 -18.899 1.00 0.00 H new ATOM 539 N ASP A 38 9.122 15.070 -12.356 1.00 0.00 N ATOM 540 CA ASP A 38 8.461 16.314 -11.976 1.00 0.00 C ATOM 541 C ASP A 38 8.769 16.672 -10.526 1.00 0.00 C ATOM 542 O ASP A 38 8.736 17.842 -10.145 1.00 0.00 O ATOM 543 CB ASP A 38 6.950 16.194 -12.175 1.00 0.00 C ATOM 544 CG ASP A 38 6.298 17.530 -12.476 1.00 0.00 C ATOM 545 OD1 ASP A 38 6.863 18.297 -13.283 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.224 17.809 -11.903 1.00 0.00 O ATOM 0 H ASP A 38 8.498 14.266 -12.429 1.00 0.00 H new ATOM 0 HA ASP A 38 8.842 17.110 -12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.748 15.502 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.501 15.768 -11.278 1.00 0.00 H new ATOM 551 N ALA A 39 9.068 15.657 -9.722 1.00 0.00 N ATOM 552 CA ALA A 39 9.383 15.865 -8.314 1.00 0.00 C ATOM 553 C ALA A 39 10.753 16.514 -8.147 1.00 0.00 C ATOM 554 O ALA A 39 10.879 17.570 -7.527 1.00 0.00 O ATOM 555 CB ALA A 39 9.327 14.545 -7.560 1.00 0.00 C ATOM 0 H ALA A 39 9.099 14.682 -10.022 1.00 0.00 H new ATOM 0 HA ALA A 39 8.637 16.541 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.564 14.715 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.326 14.122 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.051 13.851 -7.987 1.00 0.00 H new ATOM 561 N GLY A 40 11.777 15.876 -8.705 1.00 0.00 N ATOM 562 CA GLY A 40 13.124 16.406 -8.607 1.00 0.00 C ATOM 563 C GLY A 40 14.155 15.325 -8.352 1.00 0.00 C ATOM 564 O GLY A 40 14.508 14.568 -9.258 1.00 0.00 O ATOM 0 H GLY A 40 11.698 15.001 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.373 16.931 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.165 17.140 -7.802 1.00 0.00 H new ATOM 568 N TYR A 41 14.641 15.252 -7.118 1.00 0.00 N ATOM 569 CA TYR A 41 15.642 14.257 -6.748 1.00 0.00 C ATOM 570 C TYR A 41 15.529 13.895 -5.271 1.00 0.00 C ATOM 571 O TYR A 41 15.027 14.676 -4.465 1.00 0.00 O ATOM 572 CB TYR A 41 17.047 14.780 -7.051 1.00 0.00 C ATOM 573 CG TYR A 41 18.090 13.690 -7.150 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.241 12.950 -8.317 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.925 13.400 -6.078 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.192 11.953 -8.412 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.880 12.406 -6.165 1.00 0.00 C ATOM 578 CZ TYR A 41 20.009 11.685 -7.334 1.00 0.00 C ATOM 579 OH TYR A 41 20.959 10.693 -7.424 1.00 0.00 O ATOM 0 H TYR A 41 14.359 15.869 -6.357 1.00 0.00 H new ATOM 0 HA TYR A 41 15.461 13.359 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.024 15.336 -7.988 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.340 15.482 -6.271 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.604 13.158 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.826 13.962 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.295 11.386 -9.326 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.522 12.194 -5.323 1.00 0.00 H new ATOM 0 HH TYR A 41 21.451 10.633 -6.578 1.00 0.00 H new ATOM 589 N GLY A 42 16.002 12.701 -4.923 1.00 0.00 N ATOM 590 CA GLY A 42 15.946 12.254 -3.544 1.00 0.00 C ATOM 591 C GLY A 42 15.974 10.744 -3.422 1.00 0.00 C ATOM 592 O GLY A 42 15.730 10.031 -4.395 1.00 0.00 O ATOM 0 H GLY A 42 16.423 12.036 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.788 12.675 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.038 12.636 -3.078 1.00 0.00 H new ATOM 596 N GLY A 43 16.274 10.253 -2.223 1.00 0.00 N ATOM 597 CA GLY A 43 16.329 8.820 -2.001 1.00 0.00 C ATOM 598 C GLY A 43 14.958 8.175 -2.036 1.00 0.00 C ATOM 599 O GLY A 43 14.064 8.560 -1.283 1.00 0.00 O ATOM 0 H GLY A 43 16.480 10.822 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.962 8.362 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.795 8.623 -1.036 1.00 0.00 H new ATOM 603 N ILE A 44 14.792 7.192 -2.914 1.00 0.00 N ATOM 604 CA ILE A 44 13.519 6.492 -3.045 1.00 0.00 C ATOM 605 C ILE A 44 13.529 5.183 -2.264 1.00 0.00 C ATOM 606 O ILE A 44 14.471 4.396 -2.362 1.00 0.00 O ATOM 607 CB ILE A 44 13.190 6.195 -4.520 1.00 0.00 C ATOM 608 CG1 ILE A 44 13.137 7.494 -5.326 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.870 5.445 -4.626 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.843 7.283 -6.794 1.00 0.00 C ATOM 0 H ILE A 44 15.522 6.862 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 44 12.753 7.150 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 44 13.978 5.566 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.373 8.145 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.090 8.013 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.650 5.242 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.942 4.504 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.072 6.052 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.821 8.247 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.620 6.658 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.876 6.792 -6.905 1.00 0.00 H new ATOM 622 N SER A 45 12.474 4.955 -1.488 1.00 0.00 N ATOM 623 CA SER A 45 12.361 3.741 -0.688 1.00 0.00 C ATOM 624 C SER A 45 11.085 2.980 -1.033 1.00 0.00 C ATOM 625 O SER A 45 9.977 3.444 -0.760 1.00 0.00 O ATOM 626 CB SER A 45 12.376 4.085 0.803 1.00 0.00 C ATOM 627 OG SER A 45 13.703 4.225 1.280 1.00 0.00 O ATOM 0 H SER A 45 11.685 5.595 -1.396 1.00 0.00 H new ATOM 0 HA SER A 45 13.216 3.104 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.826 5.011 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.865 3.304 1.365 1.00 0.00 H new ATOM 0 HG SER A 45 13.686 4.446 2.235 1.00 0.00 H new ATOM 633 N LEU A 46 11.248 1.807 -1.635 1.00 0.00 N ATOM 634 CA LEU A 46 10.110 0.978 -2.018 1.00 0.00 C ATOM 635 C LEU A 46 10.137 -0.358 -1.283 1.00 0.00 C ATOM 636 O LEU A 46 11.160 -1.041 -1.254 1.00 0.00 O ATOM 637 CB LEU A 46 10.112 0.742 -3.529 1.00 0.00 C ATOM 638 CG LEU A 46 10.012 1.992 -4.404 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.624 1.736 -5.773 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.561 2.432 -4.541 1.00 0.00 C ATOM 0 H LEU A 46 12.157 1.408 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 46 9.198 1.506 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.027 0.211 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.279 0.083 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 46 10.571 2.795 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.544 2.637 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.674 1.468 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.093 0.919 -6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.508 3.323 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.980 1.632 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.154 2.657 -3.555 1.00 0.00 H new ATOM 652 N ALA A 47 9.004 -0.725 -0.692 1.00 0.00 N ATOM 653 CA ALA A 47 8.897 -1.981 0.039 1.00 0.00 C ATOM 654 C ALA A 47 7.438 -2.386 0.223 1.00 0.00 C ATOM 655 O ALA A 47 6.658 -1.669 0.849 1.00 0.00 O ATOM 656 CB ALA A 47 9.589 -1.867 1.389 1.00 0.00 C ATOM 0 H ALA A 47 8.148 -0.170 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 47 9.392 -2.756 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.501 -2.813 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.643 -1.632 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.120 -1.075 1.973 1.00 0.00 H new ATOM 662 N VAL A 48 7.075 -3.541 -0.328 1.00 0.00 N ATOM 663 CA VAL A 48 5.710 -4.042 -0.224 1.00 0.00 C ATOM 664 C VAL A 48 5.578 -5.046 0.915 1.00 0.00 C ATOM 665 O VAL A 48 6.199 -6.108 0.893 1.00 0.00 O ATOM 666 CB VAL A 48 5.255 -4.707 -1.537 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.849 -5.269 -1.392 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.326 -3.716 -2.689 1.00 0.00 C ATOM 0 H VAL A 48 7.708 -4.147 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 48 5.072 -3.182 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 48 5.930 -5.534 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.545 -5.735 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.835 -6.013 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.158 -4.462 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.001 -4.203 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.676 -2.867 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.352 -3.367 -2.806 1.00 0.00 H new ATOM 678 N GLU A 49 4.764 -4.703 1.908 1.00 0.00 N ATOM 679 CA GLU A 49 4.551 -5.576 3.057 1.00 0.00 C ATOM 680 C GLU A 49 3.155 -6.192 3.021 1.00 0.00 C ATOM 681 O GLU A 49 2.155 -5.501 3.211 1.00 0.00 O ATOM 682 CB GLU A 49 4.744 -4.798 4.360 1.00 0.00 C ATOM 683 CG GLU A 49 6.139 -4.219 4.522 1.00 0.00 C ATOM 684 CD GLU A 49 6.209 -3.158 5.603 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.525 -2.122 5.463 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.947 -3.364 6.589 1.00 0.00 O ATOM 0 H GLU A 49 4.241 -3.828 1.940 1.00 0.00 H new ATOM 0 HA GLU A 49 5.285 -6.380 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.016 -3.987 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.534 -5.458 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.836 -5.022 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.462 -3.788 3.574 1.00 0.00 H new ATOM 693 N GLY A 50 3.096 -7.497 2.774 1.00 0.00 N ATOM 694 CA GLY A 50 1.819 -8.184 2.717 1.00 0.00 C ATOM 695 C GLY A 50 1.855 -9.533 3.409 1.00 0.00 C ATOM 696 O GLY A 50 2.694 -9.790 4.272 1.00 0.00 O ATOM 0 H GLY A 50 3.910 -8.091 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.054 -7.561 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.530 -8.321 1.675 1.00 0.00 H new ATOM 700 N PRO A 51 0.925 -10.421 3.029 1.00 0.00 N ATOM 701 CA PRO A 51 0.832 -11.765 3.607 1.00 0.00 C ATOM 702 C PRO A 51 1.995 -12.658 3.190 1.00 0.00 C ATOM 703 O PRO A 51 2.102 -13.802 3.631 1.00 0.00 O ATOM 704 CB PRO A 51 -0.485 -12.304 3.042 1.00 0.00 C ATOM 705 CG PRO A 51 -0.690 -11.550 1.774 1.00 0.00 C ATOM 706 CD PRO A 51 -0.107 -10.183 2.006 1.00 0.00 C ATOM 0 HA PRO A 51 0.868 -11.743 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.428 -13.377 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.309 -12.142 3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.196 -12.048 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.749 -11.485 1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.320 -9.768 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.862 -9.478 2.353 1.00 0.00 H new ATOM 714 N SER A 52 2.866 -12.127 2.337 1.00 0.00 N ATOM 715 CA SER A 52 4.020 -12.878 1.857 1.00 0.00 C ATOM 716 C SER A 52 5.123 -11.935 1.384 1.00 0.00 C ATOM 717 O SER A 52 4.852 -10.824 0.927 1.00 0.00 O ATOM 718 CB SER A 52 3.610 -13.813 0.718 1.00 0.00 C ATOM 719 OG SER A 52 4.596 -14.806 0.494 1.00 0.00 O ATOM 0 H SER A 52 2.794 -11.180 1.965 1.00 0.00 H new ATOM 0 HA SER A 52 4.405 -13.473 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.659 -14.288 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.457 -13.236 -0.194 1.00 0.00 H new ATOM 0 HG SER A 52 4.757 -14.896 -0.469 1.00 0.00 H new ATOM 725 N LYS A 53 6.367 -12.386 1.498 1.00 0.00 N ATOM 726 CA LYS A 53 7.513 -11.586 1.081 1.00 0.00 C ATOM 727 C LYS A 53 7.601 -11.512 -0.440 1.00 0.00 C ATOM 728 O LYS A 53 7.536 -12.533 -1.125 1.00 0.00 O ATOM 729 CB LYS A 53 8.806 -12.174 1.650 1.00 0.00 C ATOM 730 CG LYS A 53 9.956 -11.183 1.697 1.00 0.00 C ATOM 731 CD LYS A 53 11.300 -11.890 1.745 1.00 0.00 C ATOM 732 CE LYS A 53 12.452 -10.910 1.587 1.00 0.00 C ATOM 733 NZ LYS A 53 13.767 -11.605 1.520 1.00 0.00 N ATOM 0 H LYS A 53 6.608 -13.302 1.876 1.00 0.00 H new ATOM 0 HA LYS A 53 7.379 -10.576 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.615 -12.544 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.101 -13.032 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.916 -10.536 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.850 -10.542 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.400 -12.420 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.347 -12.639 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.306 -10.321 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.452 -10.212 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.526 -10.902 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.918 -12.147 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.777 -12.252 0.706 1.00 0.00 H new ATOM 747 N VAL A 54 7.751 -10.299 -0.961 1.00 0.00 N ATOM 748 CA VAL A 54 7.851 -10.093 -2.401 1.00 0.00 C ATOM 749 C VAL A 54 9.161 -9.403 -2.768 1.00 0.00 C ATOM 750 O VAL A 54 9.597 -8.474 -2.088 1.00 0.00 O ATOM 751 CB VAL A 54 6.675 -9.252 -2.931 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.517 -10.150 -3.338 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.233 -8.238 -1.887 1.00 0.00 C ATOM 0 H VAL A 54 7.806 -9.444 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 54 7.821 -11.079 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 54 7.009 -8.708 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.695 -9.538 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.844 -10.833 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.180 -10.723 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.401 -7.652 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.916 -8.760 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.064 -7.574 -1.650 1.00 0.00 H new ATOM 763 N ASP A 55 9.783 -9.863 -3.848 1.00 0.00 N ATOM 764 CA ASP A 55 11.042 -9.289 -4.307 1.00 0.00 C ATOM 765 C ASP A 55 10.798 -8.021 -5.119 1.00 0.00 C ATOM 766 O ASP A 55 10.359 -8.083 -6.268 1.00 0.00 O ATOM 767 CB ASP A 55 11.815 -10.307 -5.148 1.00 0.00 C ATOM 768 CG ASP A 55 12.149 -11.565 -4.371 1.00 0.00 C ATOM 769 OD1 ASP A 55 11.214 -12.324 -4.041 1.00 0.00 O ATOM 770 OD2 ASP A 55 13.346 -11.790 -4.092 1.00 0.00 O ATOM 0 H ASP A 55 9.436 -10.632 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 55 11.635 -9.029 -3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.225 -10.571 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.737 -9.851 -5.509 1.00 0.00 H new ATOM 775 N ILE A 56 11.083 -6.873 -4.514 1.00 0.00 N ATOM 776 CA ILE A 56 10.894 -5.591 -5.181 1.00 0.00 C ATOM 777 C ILE A 56 12.046 -5.292 -6.135 1.00 0.00 C ATOM 778 O ILE A 56 13.200 -5.197 -5.718 1.00 0.00 O ATOM 779 CB ILE A 56 10.772 -4.440 -4.165 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.619 -4.707 -3.195 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.570 -3.116 -4.886 1.00 0.00 C ATOM 782 CD1 ILE A 56 8.253 -4.564 -3.828 1.00 0.00 C ATOM 0 H ILE A 56 11.446 -6.804 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 56 9.966 -5.664 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 56 11.697 -4.381 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.720 -5.714 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.695 -4.018 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.486 -2.312 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.421 -2.924 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.658 -3.162 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.484 -4.767 -3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.132 -3.549 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.157 -5.272 -4.651 1.00 0.00 H new ATOM 794 N GLN A 57 11.724 -5.144 -7.416 1.00 0.00 N ATOM 795 CA GLN A 57 12.733 -4.855 -8.428 1.00 0.00 C ATOM 796 C GLN A 57 12.517 -3.470 -9.031 1.00 0.00 C ATOM 797 O GLN A 57 11.427 -3.151 -9.507 1.00 0.00 O ATOM 798 CB GLN A 57 12.698 -5.915 -9.530 1.00 0.00 C ATOM 799 CG GLN A 57 13.488 -7.169 -9.193 1.00 0.00 C ATOM 800 CD GLN A 57 13.341 -8.252 -10.244 1.00 0.00 C ATOM 801 OE1 GLN A 57 13.793 -8.097 -11.378 1.00 0.00 O ATOM 802 NE2 GLN A 57 12.705 -9.357 -9.871 1.00 0.00 N ATOM 0 H GLN A 57 10.773 -5.219 -7.777 1.00 0.00 H new ATOM 0 HA GLN A 57 13.711 -4.874 -7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.662 -6.190 -9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.092 -5.484 -10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.542 -6.912 -9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.155 -7.555 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.346 -9.443 -8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.575 -10.120 -10.536 1.00 0.00 H new ATOM 811 N THR A 58 13.564 -2.651 -9.007 1.00 0.00 N ATOM 812 CA THR A 58 13.489 -1.300 -9.550 1.00 0.00 C ATOM 813 C THR A 58 14.525 -1.090 -10.648 1.00 0.00 C ATOM 814 O THR A 58 15.551 -1.768 -10.682 1.00 0.00 O ATOM 815 CB THR A 58 13.700 -0.241 -8.452 1.00 0.00 C ATOM 816 OG1 THR A 58 14.893 -0.531 -7.715 1.00 0.00 O ATOM 817 CG2 THR A 58 12.511 -0.199 -7.504 1.00 0.00 C ATOM 0 H THR A 58 14.473 -2.899 -8.618 1.00 0.00 H new ATOM 0 HA THR A 58 12.490 -1.184 -9.970 1.00 0.00 H new ATOM 0 HB THR A 58 13.797 0.733 -8.932 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.021 0.148 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.683 0.556 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.609 0.050 -8.063 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.388 -1.174 -7.032 1.00 0.00 H new ATOM 825 N GLU A 59 14.249 -0.147 -11.543 1.00 0.00 N ATOM 826 CA GLU A 59 15.159 0.151 -12.643 1.00 0.00 C ATOM 827 C GLU A 59 14.870 1.529 -13.231 1.00 0.00 C ATOM 828 O GLU A 59 13.720 1.867 -13.510 1.00 0.00 O ATOM 829 CB GLU A 59 15.043 -0.916 -13.734 1.00 0.00 C ATOM 830 CG GLU A 59 15.847 -0.599 -14.984 1.00 0.00 C ATOM 831 CD GLU A 59 16.092 -1.823 -15.845 1.00 0.00 C ATOM 832 OE1 GLU A 59 17.045 -2.575 -15.551 1.00 0.00 O ATOM 833 OE2 GLU A 59 15.331 -2.028 -16.814 1.00 0.00 O ATOM 0 H GLU A 59 13.403 0.423 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 59 16.176 0.149 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.376 -1.873 -13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.994 -1.032 -14.007 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.319 0.153 -15.570 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.804 -0.165 -14.696 1.00 0.00 H new ATOM 840 N ASP A 60 15.922 2.319 -13.415 1.00 0.00 N ATOM 841 CA ASP A 60 15.782 3.661 -13.970 1.00 0.00 C ATOM 842 C ASP A 60 15.375 3.602 -15.439 1.00 0.00 C ATOM 843 O ASP A 60 15.988 2.889 -16.236 1.00 0.00 O ATOM 844 CB ASP A 60 17.092 4.436 -13.821 1.00 0.00 C ATOM 845 CG ASP A 60 17.191 5.597 -14.791 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.685 6.691 -14.462 1.00 0.00 O ATOM 847 OD2 ASP A 60 17.774 5.412 -15.880 1.00 0.00 O ATOM 0 H ASP A 60 16.881 2.054 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 60 14.998 4.177 -13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.175 4.811 -12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 60 17.931 3.759 -13.982 1.00 0.00 H new ATOM 852 N LEU A 61 14.338 4.353 -15.791 1.00 0.00 N ATOM 853 CA LEU A 61 13.848 4.386 -17.165 1.00 0.00 C ATOM 854 C LEU A 61 14.411 5.589 -17.915 1.00 0.00 C ATOM 855 O LEU A 61 15.198 6.361 -17.368 1.00 0.00 O ATOM 856 CB LEU A 61 12.320 4.430 -17.181 1.00 0.00 C ATOM 857 CG LEU A 61 11.607 3.189 -16.644 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.112 3.442 -16.524 1.00 0.00 C ATOM 859 CD2 LEU A 61 11.876 1.990 -17.541 1.00 0.00 C ATOM 0 H LEU A 61 13.820 4.948 -15.144 1.00 0.00 H new ATOM 0 HA LEU A 61 14.184 3.479 -17.667 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.995 5.292 -16.598 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.992 4.597 -18.207 1.00 0.00 H new ATOM 0 HG LEU A 61 11.998 2.970 -15.651 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.621 2.548 -16.140 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.937 4.273 -15.841 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.705 3.687 -17.505 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.361 1.115 -17.144 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.512 2.199 -18.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.948 1.795 -17.576 1.00 0.00 H new ATOM 871 N GLU A 62 14.001 5.743 -19.170 1.00 0.00 N ATOM 872 CA GLU A 62 14.464 6.853 -19.994 1.00 0.00 C ATOM 873 C GLU A 62 13.637 8.108 -19.731 1.00 0.00 C ATOM 874 O GLU A 62 14.145 9.227 -19.806 1.00 0.00 O ATOM 875 CB GLU A 62 14.389 6.482 -21.477 1.00 0.00 C ATOM 876 CG GLU A 62 15.451 5.485 -21.909 1.00 0.00 C ATOM 877 CD GLU A 62 16.831 6.107 -22.004 1.00 0.00 C ATOM 878 OE1 GLU A 62 17.430 6.389 -20.945 1.00 0.00 O ATOM 879 OE2 GLU A 62 17.312 6.312 -23.139 1.00 0.00 O ATOM 0 H GLU A 62 13.349 5.113 -19.638 1.00 0.00 H new ATOM 0 HA GLU A 62 15.501 7.060 -19.730 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.404 6.066 -21.690 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.488 7.388 -22.075 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.477 4.658 -21.200 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.178 5.066 -22.877 1.00 0.00 H new ATOM 886 N ASP A 63 12.359 7.913 -19.421 1.00 0.00 N ATOM 887 CA ASP A 63 11.461 9.029 -19.146 1.00 0.00 C ATOM 888 C ASP A 63 11.843 9.725 -17.844 1.00 0.00 C ATOM 889 O ASP A 63 11.445 10.863 -17.596 1.00 0.00 O ATOM 890 CB ASP A 63 10.014 8.539 -19.071 1.00 0.00 C ATOM 891 CG ASP A 63 9.051 9.638 -18.668 1.00 0.00 C ATOM 892 OD1 ASP A 63 9.058 10.702 -19.322 1.00 0.00 O ATOM 893 OD2 ASP A 63 8.291 9.436 -17.697 1.00 0.00 O ATOM 0 H ASP A 63 11.922 6.994 -19.354 1.00 0.00 H new ATOM 0 HA ASP A 63 11.552 9.747 -19.961 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.718 8.138 -20.041 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.947 7.721 -18.354 1.00 0.00 H new ATOM 898 N GLY A 64 12.619 9.034 -17.014 1.00 0.00 N ATOM 899 CA GLY A 64 13.041 9.602 -15.747 1.00 0.00 C ATOM 900 C GLY A 64 12.179 9.140 -14.588 1.00 0.00 C ATOM 901 O GLY A 64 11.931 9.895 -13.648 1.00 0.00 O ATOM 0 H GLY A 64 12.963 8.091 -17.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.078 9.327 -15.557 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.006 10.690 -15.810 1.00 0.00 H new ATOM 905 N THR A 65 11.718 7.894 -14.655 1.00 0.00 N ATOM 906 CA THR A 65 10.877 7.333 -13.606 1.00 0.00 C ATOM 907 C THR A 65 11.385 5.965 -13.166 1.00 0.00 C ATOM 908 O THR A 65 12.232 5.364 -13.829 1.00 0.00 O ATOM 909 CB THR A 65 9.414 7.200 -14.070 1.00 0.00 C ATOM 910 OG1 THR A 65 9.300 6.150 -15.036 1.00 0.00 O ATOM 911 CG2 THR A 65 8.916 8.506 -14.671 1.00 0.00 C ATOM 0 H THR A 65 11.914 7.255 -15.425 1.00 0.00 H new ATOM 0 HA THR A 65 10.922 8.022 -12.763 1.00 0.00 H new ATOM 0 HB THR A 65 8.801 6.961 -13.201 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.476 6.269 -15.552 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.881 8.388 -14.991 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.976 9.297 -13.923 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.534 8.770 -15.529 1.00 0.00 H new ATOM 919 N CYS A 66 10.863 5.477 -12.047 1.00 0.00 N ATOM 920 CA CYS A 66 11.265 4.178 -11.518 1.00 0.00 C ATOM 921 C CYS A 66 10.118 3.176 -11.610 1.00 0.00 C ATOM 922 O CYS A 66 9.047 3.389 -11.042 1.00 0.00 O ATOM 923 CB CYS A 66 11.725 4.315 -10.066 1.00 0.00 C ATOM 924 SG CYS A 66 13.491 4.655 -9.880 1.00 0.00 S ATOM 0 H CYS A 66 10.160 5.961 -11.488 1.00 0.00 H new ATOM 0 HA CYS A 66 12.095 3.809 -12.120 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.160 5.117 -9.591 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.485 3.396 -9.532 1.00 0.00 H new ATOM 0 HG CYS A 66 13.783 4.756 -8.617 1.00 0.00 H new ATOM 930 N LYS A 67 10.350 2.084 -12.329 1.00 0.00 N ATOM 931 CA LYS A 67 9.338 1.048 -12.496 1.00 0.00 C ATOM 932 C LYS A 67 9.530 -0.070 -11.476 1.00 0.00 C ATOM 933 O LYS A 67 10.462 -0.867 -11.582 1.00 0.00 O ATOM 934 CB LYS A 67 9.394 0.474 -13.914 1.00 0.00 C ATOM 935 CG LYS A 67 8.545 -0.771 -14.101 1.00 0.00 C ATOM 936 CD LYS A 67 8.620 -1.288 -15.528 1.00 0.00 C ATOM 937 CE LYS A 67 7.653 -0.549 -16.440 1.00 0.00 C ATOM 938 NZ LYS A 67 8.025 -0.693 -17.875 1.00 0.00 N ATOM 0 H LYS A 67 11.231 1.893 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 67 8.360 1.501 -12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.065 1.237 -14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.429 0.238 -14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.880 -1.548 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.509 -0.547 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.636 -1.174 -15.905 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.393 -2.354 -15.542 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.644 -0.932 -16.286 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.637 0.508 -16.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.342 -0.175 -18.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.978 -0.305 -18.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.015 -1.699 -18.137 1.00 0.00 H new ATOM 952 N VAL A 68 8.641 -0.124 -10.490 1.00 0.00 N ATOM 953 CA VAL A 68 8.711 -1.146 -9.452 1.00 0.00 C ATOM 954 C VAL A 68 8.064 -2.446 -9.917 1.00 0.00 C ATOM 955 O VAL A 68 7.063 -2.432 -10.632 1.00 0.00 O ATOM 956 CB VAL A 68 8.023 -0.678 -8.156 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.357 -1.616 -7.006 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.428 0.750 -7.824 1.00 0.00 C ATOM 0 H VAL A 68 7.863 0.528 -10.388 1.00 0.00 H new ATOM 0 HA VAL A 68 9.768 -1.321 -9.250 1.00 0.00 H new ATOM 0 HB VAL A 68 6.944 -0.699 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.862 -1.270 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.013 -2.622 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.436 -1.629 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.933 1.064 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.508 0.800 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.134 1.411 -8.639 1.00 0.00 H new ATOM 968 N SER A 69 8.644 -3.569 -9.505 1.00 0.00 N ATOM 969 CA SER A 69 8.126 -4.879 -9.882 1.00 0.00 C ATOM 970 C SER A 69 8.156 -5.837 -8.695 1.00 0.00 C ATOM 971 O SER A 69 9.131 -5.884 -7.945 1.00 0.00 O ATOM 972 CB SER A 69 8.941 -5.459 -11.040 1.00 0.00 C ATOM 973 OG SER A 69 9.166 -4.485 -12.044 1.00 0.00 O ATOM 0 H SER A 69 9.472 -3.598 -8.910 1.00 0.00 H new ATOM 0 HA SER A 69 7.091 -4.755 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.896 -5.829 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.414 -6.312 -11.468 1.00 0.00 H new ATOM 0 HG SER A 69 9.690 -4.880 -12.772 1.00 0.00 H new ATOM 979 N TYR A 70 7.080 -6.599 -8.531 1.00 0.00 N ATOM 980 CA TYR A 70 6.980 -7.554 -7.434 1.00 0.00 C ATOM 981 C TYR A 70 6.137 -8.760 -7.837 1.00 0.00 C ATOM 982 O TYR A 70 5.204 -8.643 -8.632 1.00 0.00 O ATOM 983 CB TYR A 70 6.374 -6.884 -6.200 1.00 0.00 C ATOM 984 CG TYR A 70 4.872 -6.729 -6.271 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.027 -7.744 -5.838 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.297 -5.567 -6.771 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.654 -7.607 -5.903 1.00 0.00 C ATOM 988 CE2 TYR A 70 2.925 -5.420 -6.837 1.00 0.00 C ATOM 989 CZ TYR A 70 2.108 -6.443 -6.402 1.00 0.00 C ATOM 990 OH TYR A 70 0.740 -6.302 -6.467 1.00 0.00 O ATOM 0 H TYR A 70 6.265 -6.574 -9.144 1.00 0.00 H new ATOM 0 HA TYR A 70 7.986 -7.900 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.629 -7.470 -5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.827 -5.901 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.451 -8.656 -5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.934 -4.765 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.012 -8.407 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.494 -4.509 -7.227 1.00 0.00 H new ATOM 0 HH TYR A 70 0.519 -5.424 -6.842 1.00 0.00 H new ATOM 1000 N PHE A 71 6.472 -9.920 -7.282 1.00 0.00 N ATOM 1001 CA PHE A 71 5.747 -11.149 -7.582 1.00 0.00 C ATOM 1002 C PHE A 71 5.124 -11.736 -6.319 1.00 0.00 C ATOM 1003 O PHE A 71 5.784 -12.406 -5.525 1.00 0.00 O ATOM 1004 CB PHE A 71 6.684 -12.174 -8.226 1.00 0.00 C ATOM 1005 CG PHE A 71 5.961 -13.300 -8.909 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.334 -13.100 -10.128 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.910 -14.559 -8.332 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.668 -14.134 -10.758 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.245 -15.597 -8.957 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.625 -15.385 -10.173 1.00 0.00 C ATOM 0 H PHE A 71 7.241 -10.035 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 71 4.947 -10.908 -8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.320 -11.667 -8.952 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.341 -12.586 -7.460 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.366 -12.125 -10.591 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.396 -14.731 -7.383 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.181 -13.964 -11.707 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.210 -16.573 -8.495 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.108 -16.195 -10.665 1.00 0.00 H new ATOM 1020 N PRO A 72 3.822 -11.478 -6.128 1.00 0.00 N ATOM 1021 CA PRO A 72 3.080 -11.971 -4.963 1.00 0.00 C ATOM 1022 C PRO A 72 2.876 -13.482 -5.003 1.00 0.00 C ATOM 1023 O PRO A 72 2.887 -14.093 -6.072 1.00 0.00 O ATOM 1024 CB PRO A 72 1.736 -11.247 -5.067 1.00 0.00 C ATOM 1025 CG PRO A 72 1.583 -10.936 -6.516 1.00 0.00 C ATOM 1026 CD PRO A 72 2.973 -10.687 -7.034 1.00 0.00 C ATOM 0 HA PRO A 72 3.611 -11.781 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.920 -11.874 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.728 -10.339 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.112 -11.764 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.949 -10.062 -6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.080 -11.011 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.230 -9.628 -7.003 1.00 0.00 H new ATOM 1034 N THR A 73 2.689 -14.080 -3.831 1.00 0.00 N ATOM 1035 CA THR A 73 2.483 -15.519 -3.731 1.00 0.00 C ATOM 1036 C THR A 73 1.203 -15.840 -2.968 1.00 0.00 C ATOM 1037 O THR A 73 0.514 -16.814 -3.273 1.00 0.00 O ATOM 1038 CB THR A 73 3.670 -16.210 -3.034 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.008 -15.509 -1.832 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.881 -16.264 -3.953 1.00 0.00 C ATOM 0 H THR A 73 2.676 -13.589 -2.937 1.00 0.00 H new ATOM 0 HA THR A 73 2.400 -15.897 -4.750 1.00 0.00 H new ATOM 0 HB THR A 73 3.375 -17.230 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.767 -16.056 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.706 -16.756 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.629 -16.824 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.176 -15.251 -4.226 1.00 0.00 H new ATOM 1048 N VAL A 74 0.889 -15.015 -1.975 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.310 -15.210 -1.169 1.00 0.00 C ATOM 1050 C VAL A 74 -1.256 -14.021 -1.295 1.00 0.00 C ATOM 1051 O VAL A 74 -0.854 -12.862 -1.194 1.00 0.00 O ATOM 1052 CB VAL A 74 0.040 -15.418 0.317 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.220 -15.665 1.133 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.022 -16.569 0.476 1.00 0.00 C ATOM 0 H VAL A 74 1.449 -14.205 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.803 -16.105 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 74 0.514 -14.511 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.953 -15.810 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.886 -14.806 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.726 -16.556 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.259 -16.702 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.576 -17.484 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.936 -16.347 -0.075 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.546 -14.313 -1.520 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.577 -13.281 -1.664 1.00 0.00 C ATOM 1066 C PRO A 75 -3.868 -12.565 -0.349 1.00 0.00 C ATOM 1067 O PRO A 75 -3.884 -13.182 0.715 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.805 -14.069 -2.126 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.583 -15.451 -1.615 1.00 0.00 C ATOM 1070 CD PRO A 75 -3.097 -15.672 -1.652 1.00 0.00 C ATOM 0 HA PRO A 75 -3.273 -12.495 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.724 -13.641 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.896 -14.058 -3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.968 -15.559 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.102 -16.184 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.767 -16.320 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.784 -16.144 -2.584 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.097 -11.257 -0.431 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.384 -10.479 0.760 1.00 0.00 C ATOM 1080 C GLY A 76 -4.216 -8.989 0.533 1.00 0.00 C ATOM 1081 O GLY A 76 -4.495 -8.484 -0.555 1.00 0.00 O ATOM 0 H GLY A 76 -4.089 -10.723 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.404 -10.681 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.723 -10.797 1.566 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.761 -8.283 1.563 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.557 -6.843 1.472 1.00 0.00 C ATOM 1087 C VAL A 77 -2.073 -6.493 1.521 1.00 0.00 C ATOM 1088 O VAL A 77 -1.420 -6.662 2.551 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.286 -6.099 2.606 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.003 -4.606 2.536 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.782 -6.370 2.544 1.00 0.00 C ATOM 0 H VAL A 77 -3.527 -8.686 2.470 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.971 -6.526 0.515 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.911 -6.470 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.527 -4.098 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.931 -4.434 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.348 -4.215 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.282 -5.837 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.174 -6.028 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.963 -7.440 2.649 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.548 -6.006 0.403 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.141 -5.634 0.318 1.00 0.00 C ATOM 1103 C TYR A 78 0.038 -4.131 0.504 1.00 0.00 C ATOM 1104 O TYR A 78 -0.618 -3.329 -0.162 1.00 0.00 O ATOM 1105 CB TYR A 78 0.441 -6.065 -1.029 1.00 0.00 C ATOM 1106 CG TYR A 78 0.727 -7.547 -1.120 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.277 -8.449 -1.450 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.000 -8.046 -0.874 1.00 0.00 C ATOM 1109 CE1 TYR A 78 -0.021 -9.804 -1.533 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.265 -9.399 -0.956 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.252 -10.274 -1.286 1.00 0.00 C ATOM 1112 OH TYR A 78 1.512 -11.623 -1.367 1.00 0.00 O ATOM 0 H TYR A 78 -2.076 -5.859 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 78 0.393 -6.147 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.255 -5.789 -1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.364 -5.514 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.275 -8.085 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.796 -7.364 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.813 -10.492 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.261 -9.770 -0.763 1.00 0.00 H new ATOM 0 HH TYR A 78 0.697 -12.126 -1.161 1.00 0.00 H new ATOM 1122 N ILE A 79 0.930 -3.756 1.415 1.00 0.00 N ATOM 1123 CA ILE A 79 1.197 -2.350 1.688 1.00 0.00 C ATOM 1124 C ILE A 79 2.418 -1.861 0.915 1.00 0.00 C ATOM 1125 O ILE A 79 3.554 -2.194 1.253 1.00 0.00 O ATOM 1126 CB ILE A 79 1.423 -2.102 3.192 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.180 -2.502 3.989 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.771 -0.642 3.441 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.053 -1.704 3.627 1.00 0.00 C ATOM 0 H ILE A 79 1.480 -4.407 1.976 1.00 0.00 H new ATOM 0 HA ILE A 79 0.318 -1.793 1.363 1.00 0.00 H new ATOM 0 HB ILE A 79 2.259 -2.717 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.021 -3.561 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.384 -2.377 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.928 -0.482 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.681 -0.387 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.954 -0.009 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.895 -2.042 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.871 -0.646 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.283 -1.848 2.571 1.00 0.00 H new ATOM 1141 N VAL A 80 2.175 -1.068 -0.123 1.00 0.00 N ATOM 1142 CA VAL A 80 3.254 -0.531 -0.944 1.00 0.00 C ATOM 1143 C VAL A 80 3.784 0.777 -0.366 1.00 0.00 C ATOM 1144 O VAL A 80 3.102 1.801 -0.391 1.00 0.00 O ATOM 1145 CB VAL A 80 2.790 -0.288 -2.392 1.00 0.00 C ATOM 1146 CG1 VAL A 80 3.870 0.432 -3.185 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.416 -1.603 -3.059 1.00 0.00 C ATOM 0 H VAL A 80 1.240 -0.783 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 80 4.051 -1.275 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 80 1.904 0.347 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.524 0.595 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.086 1.393 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.775 -0.175 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.090 -1.413 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.283 -2.264 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.607 -2.076 -2.503 1.00 0.00 H new ATOM 1157 N SER A 81 5.007 0.734 0.155 1.00 0.00 N ATOM 1158 CA SER A 81 5.629 1.915 0.743 1.00 0.00 C ATOM 1159 C SER A 81 6.369 2.724 -0.318 1.00 0.00 C ATOM 1160 O SER A 81 7.497 2.398 -0.690 1.00 0.00 O ATOM 1161 CB SER A 81 6.595 1.507 1.857 1.00 0.00 C ATOM 1162 OG SER A 81 7.727 0.837 1.329 1.00 0.00 O ATOM 0 H SER A 81 5.586 -0.105 0.182 1.00 0.00 H new ATOM 0 HA SER A 81 4.841 2.539 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.916 2.392 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.083 0.858 2.568 1.00 0.00 H new ATOM 0 HG SER A 81 8.117 1.373 0.607 1.00 0.00 H new ATOM 1168 N THR A 82 5.726 3.782 -0.802 1.00 0.00 N ATOM 1169 CA THR A 82 6.321 4.638 -1.820 1.00 0.00 C ATOM 1170 C THR A 82 6.865 5.924 -1.208 1.00 0.00 C ATOM 1171 O THR A 82 6.103 6.811 -0.822 1.00 0.00 O ATOM 1172 CB THR A 82 5.302 4.996 -2.918 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.476 3.863 -3.208 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.010 5.452 -4.185 1.00 0.00 C ATOM 0 H THR A 82 4.793 4.066 -0.505 1.00 0.00 H new ATOM 0 HA THR A 82 7.142 4.076 -2.266 1.00 0.00 H new ATOM 0 HB THR A 82 4.680 5.814 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.830 4.099 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.270 5.699 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.615 6.332 -3.967 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.653 4.651 -4.551 1.00 0.00 H new ATOM 1182 N LYS A 83 8.187 6.021 -1.122 1.00 0.00 N ATOM 1183 CA LYS A 83 8.834 7.200 -0.559 1.00 0.00 C ATOM 1184 C LYS A 83 9.753 7.858 -1.583 1.00 0.00 C ATOM 1185 O LYS A 83 10.313 7.187 -2.450 1.00 0.00 O ATOM 1186 CB LYS A 83 9.634 6.821 0.690 1.00 0.00 C ATOM 1187 CG LYS A 83 8.813 6.844 1.968 1.00 0.00 C ATOM 1188 CD LYS A 83 9.701 6.901 3.199 1.00 0.00 C ATOM 1189 CE LYS A 83 10.167 5.514 3.615 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.387 5.570 4.467 1.00 0.00 N ATOM 0 H LYS A 83 8.832 5.296 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 83 8.057 7.913 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.052 5.824 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.474 7.507 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.147 7.707 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.183 5.956 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.567 7.531 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.156 7.365 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.368 5.010 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.372 4.918 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.672 4.605 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.158 6.028 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.184 6.117 5.328 1.00 0.00 H new ATOM 1204 N PHE A 84 9.903 9.174 -1.477 1.00 0.00 N ATOM 1205 CA PHE A 84 10.755 9.922 -2.394 1.00 0.00 C ATOM 1206 C PHE A 84 11.420 11.097 -1.683 1.00 0.00 C ATOM 1207 O PHE A 84 10.761 12.072 -1.323 1.00 0.00 O ATOM 1208 CB PHE A 84 9.938 10.429 -3.585 1.00 0.00 C ATOM 1209 CG PHE A 84 10.657 11.455 -4.412 1.00 0.00 C ATOM 1210 CD1 PHE A 84 10.573 12.801 -4.096 1.00 0.00 C ATOM 1211 CD2 PHE A 84 11.416 11.074 -5.507 1.00 0.00 C ATOM 1212 CE1 PHE A 84 11.233 13.748 -4.856 1.00 0.00 C ATOM 1213 CE2 PHE A 84 12.078 12.016 -6.271 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.988 13.355 -5.944 1.00 0.00 C ATOM 0 H PHE A 84 9.446 9.744 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 84 11.534 9.250 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.673 9.583 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.005 10.858 -3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.985 13.114 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 84 11.491 10.028 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 84 11.159 14.794 -4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 84 12.665 11.706 -7.123 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.507 14.093 -6.538 1.00 0.00 H new ATOM 1224 N ALA A 85 12.730 10.996 -1.483 1.00 0.00 N ATOM 1225 CA ALA A 85 13.485 12.050 -0.816 1.00 0.00 C ATOM 1226 C ALA A 85 13.071 12.180 0.646 1.00 0.00 C ATOM 1227 O ALA A 85 12.866 13.286 1.147 1.00 0.00 O ATOM 1228 CB ALA A 85 13.294 13.374 -1.541 1.00 0.00 C ATOM 0 H ALA A 85 13.291 10.195 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 85 14.541 11.782 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.863 14.153 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.645 13.280 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.237 13.639 -1.542 1.00 0.00 H new ATOM 1234 N ASP A 86 12.951 11.044 1.325 1.00 0.00 N ATOM 1235 CA ASP A 86 12.563 11.032 2.730 1.00 0.00 C ATOM 1236 C ASP A 86 11.172 11.631 2.915 1.00 0.00 C ATOM 1237 O ASP A 86 10.937 12.401 3.845 1.00 0.00 O ATOM 1238 CB ASP A 86 13.581 11.806 3.570 1.00 0.00 C ATOM 1239 CG ASP A 86 14.851 11.015 3.813 1.00 0.00 C ATOM 1240 OD1 ASP A 86 14.814 10.066 4.624 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.883 11.346 3.192 1.00 0.00 O ATOM 0 H ASP A 86 13.117 10.120 0.925 1.00 0.00 H new ATOM 0 HA ASP A 86 12.540 9.995 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.829 12.740 3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.132 12.070 4.527 1.00 0.00 H new ATOM 1246 N GLU A 87 10.255 11.271 2.023 1.00 0.00 N ATOM 1247 CA GLU A 87 8.888 11.775 2.087 1.00 0.00 C ATOM 1248 C GLU A 87 7.929 10.841 1.355 1.00 0.00 C ATOM 1249 O GLU A 87 8.102 10.560 0.168 1.00 0.00 O ATOM 1250 CB GLU A 87 8.810 13.179 1.485 1.00 0.00 C ATOM 1251 CG GLU A 87 9.274 14.274 2.430 1.00 0.00 C ATOM 1252 CD GLU A 87 8.949 15.664 1.919 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.911 15.819 1.242 1.00 0.00 O ATOM 1254 OE2 GLU A 87 9.732 16.596 2.196 1.00 0.00 O ATOM 0 H GLU A 87 10.434 10.633 1.248 1.00 0.00 H new ATOM 0 HA GLU A 87 8.593 11.821 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.416 13.211 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.781 13.380 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.806 14.131 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.350 14.188 2.578 1.00 0.00 H new ATOM 1261 N HIS A 88 6.916 10.362 2.071 1.00 0.00 N ATOM 1262 CA HIS A 88 5.929 9.459 1.490 1.00 0.00 C ATOM 1263 C HIS A 88 4.986 10.213 0.557 1.00 0.00 C ATOM 1264 O HIS A 88 4.470 11.275 0.904 1.00 0.00 O ATOM 1265 CB HIS A 88 5.127 8.768 2.594 1.00 0.00 C ATOM 1266 CG HIS A 88 5.730 7.476 3.052 1.00 0.00 C ATOM 1267 ND1 HIS A 88 5.306 6.245 2.598 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.732 7.228 3.928 1.00 0.00 C ATOM 1269 CE1 HIS A 88 6.019 5.295 3.176 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.892 5.865 3.988 1.00 0.00 N ATOM 0 H HIS A 88 6.758 10.584 3.054 1.00 0.00 H new ATOM 0 HA HIS A 88 6.460 8.704 0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 88 5.042 9.442 3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 88 4.116 8.580 2.234 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.558 6.092 1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.300 7.964 4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.907 4.233 3.013 1.00 0.00 H new ATOM 1279 N VAL A 89 4.768 9.657 -0.631 1.00 0.00 N ATOM 1280 CA VAL A 89 3.888 10.277 -1.614 1.00 0.00 C ATOM 1281 C VAL A 89 2.582 10.734 -0.973 1.00 0.00 C ATOM 1282 O VAL A 89 2.161 10.226 0.066 1.00 0.00 O ATOM 1283 CB VAL A 89 3.568 9.309 -2.770 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.727 9.249 -3.753 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.244 7.925 -2.230 1.00 0.00 C ATOM 0 H VAL A 89 5.189 8.779 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 89 4.417 11.144 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 89 2.692 9.681 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.483 8.561 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.907 10.242 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.623 8.901 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.020 7.254 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.100 7.542 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.379 7.986 -1.569 1.00 0.00 H new ATOM 1295 N PRO A 90 1.925 11.718 -1.605 1.00 0.00 N ATOM 1296 CA PRO A 90 0.657 12.265 -1.115 1.00 0.00 C ATOM 1297 C PRO A 90 -0.494 11.275 -1.253 1.00 0.00 C ATOM 1298 O PRO A 90 -1.260 11.329 -2.214 1.00 0.00 O ATOM 1299 CB PRO A 90 0.425 13.483 -2.013 1.00 0.00 C ATOM 1300 CG PRO A 90 1.171 13.177 -3.266 1.00 0.00 C ATOM 1301 CD PRO A 90 2.370 12.371 -2.848 1.00 0.00 C ATOM 0 HA PRO A 90 0.700 12.504 -0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.636 13.633 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.794 14.396 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.548 12.617 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.474 14.093 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.648 11.641 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.241 13.004 -2.680 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.609 10.370 -0.285 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.670 9.381 -0.318 1.00 0.00 C ATOM 1311 C GLY A 91 -1.216 8.027 0.191 1.00 0.00 C ATOM 1312 O GLY A 91 -2.015 7.096 0.296 1.00 0.00 O ATOM 0 H GLY A 91 0.013 10.305 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.507 9.731 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.035 9.278 -1.340 1.00 0.00 H new ATOM 1316 N SER A 92 0.070 7.916 0.507 1.00 0.00 N ATOM 1317 CA SER A 92 0.631 6.665 1.003 1.00 0.00 C ATOM 1318 C SER A 92 0.288 6.462 2.475 1.00 0.00 C ATOM 1319 O SER A 92 -0.073 7.397 3.190 1.00 0.00 O ATOM 1320 CB SER A 92 2.149 6.651 0.813 1.00 0.00 C ATOM 1321 OG SER A 92 2.504 6.050 -0.420 1.00 0.00 O ATOM 0 H SER A 92 0.744 8.678 0.428 1.00 0.00 H new ATOM 0 HA SER A 92 0.194 5.847 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.532 7.671 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.616 6.107 1.634 1.00 0.00 H new ATOM 0 HG SER A 92 1.742 6.090 -1.035 1.00 0.00 H new ATOM 1327 N PRO A 93 0.404 5.209 2.942 1.00 0.00 N ATOM 1328 CA PRO A 93 0.833 4.088 2.101 1.00 0.00 C ATOM 1329 C PRO A 93 -0.217 3.708 1.062 1.00 0.00 C ATOM 1330 O PRO A 93 -1.317 4.261 1.046 1.00 0.00 O ATOM 1331 CB PRO A 93 1.030 2.948 3.103 1.00 0.00 C ATOM 1332 CG PRO A 93 0.138 3.290 4.246 1.00 0.00 C ATOM 1333 CD PRO A 93 0.125 4.792 4.326 1.00 0.00 C ATOM 0 HA PRO A 93 1.728 4.328 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.762 1.986 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.070 2.875 3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.867 2.899 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.507 2.853 5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.838 5.168 4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.880 5.164 5.018 1.00 0.00 H new ATOM 1341 N PHE A 94 0.130 2.762 0.195 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.783 2.309 -0.848 1.00 0.00 C ATOM 1343 C PHE A 94 -1.313 0.912 -0.538 1.00 0.00 C ATOM 1344 O PHE A 94 -0.543 -0.037 -0.386 1.00 0.00 O ATOM 1345 CB PHE A 94 -0.079 2.310 -2.207 1.00 0.00 C ATOM 1346 CG PHE A 94 -0.158 3.629 -2.922 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.179 4.806 -2.272 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.570 3.692 -4.243 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.108 6.021 -2.927 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.643 4.904 -4.903 1.00 0.00 C ATOM 1351 CZ PHE A 94 -0.305 6.070 -4.245 1.00 0.00 C ATOM 0 H PHE A 94 1.037 2.295 0.194 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.626 2.999 -0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.969 2.045 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.520 1.537 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.501 4.773 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.837 2.784 -4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.375 6.931 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.964 4.939 -5.933 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.363 7.018 -4.759 1.00 0.00 H new ATOM 1361 N THR A 95 -2.634 0.794 -0.445 1.00 0.00 N ATOM 1362 CA THR A 95 -3.268 -0.485 -0.152 1.00 0.00 C ATOM 1363 C THR A 95 -3.665 -1.209 -1.433 1.00 0.00 C ATOM 1364 O THR A 95 -4.588 -0.792 -2.133 1.00 0.00 O ATOM 1365 CB THR A 95 -4.518 -0.303 0.730 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.209 0.530 1.852 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.036 -1.648 1.218 1.00 0.00 C ATOM 0 H THR A 95 -3.285 1.569 -0.568 1.00 0.00 H new ATOM 0 HA THR A 95 -2.535 -1.084 0.388 1.00 0.00 H new ATOM 0 HB THR A 95 -5.294 0.171 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.009 0.642 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.919 -1.494 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.298 -2.269 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.263 -2.145 1.804 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.961 -2.296 -1.736 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.242 -3.079 -2.933 1.00 0.00 C ATOM 1377 C VAL A 96 -3.964 -4.375 -2.585 1.00 0.00 C ATOM 1378 O VAL A 96 -3.448 -5.205 -1.836 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.949 -3.415 -3.699 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.263 -4.224 -4.948 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.195 -2.142 -4.055 1.00 0.00 C ATOM 0 H VAL A 96 -2.192 -2.654 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.884 -2.468 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.312 -4.020 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.337 -4.452 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.757 -5.153 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.920 -3.647 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.284 -2.398 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.824 -1.510 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.936 -1.605 -3.142 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.163 -4.544 -3.133 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.958 -5.740 -2.883 1.00 0.00 C ATOM 1393 C LYS A 97 -5.736 -6.780 -3.977 1.00 0.00 C ATOM 1394 O LYS A 97 -6.101 -6.564 -5.133 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.443 -5.382 -2.799 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.899 -5.001 -1.401 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.199 -4.215 -1.433 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.308 -3.269 -0.247 1.00 0.00 C ATOM 1399 NZ LYS A 97 -10.436 -2.309 -0.405 1.00 0.00 N ATOM 0 H LYS A 97 -5.606 -3.866 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.639 -6.165 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.647 -4.553 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.033 -6.230 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.032 -5.902 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.126 -4.407 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.258 -3.646 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.043 -4.905 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.448 -3.847 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.375 -2.717 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.477 -1.682 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.290 -1.740 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.330 -2.834 -0.486 1.00 0.00 H new ATOM 1413 N ILE A 98 -5.138 -7.906 -3.604 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.870 -8.979 -4.554 1.00 0.00 C ATOM 1415 C ILE A 98 -6.104 -9.852 -4.758 1.00 0.00 C ATOM 1416 O ILE A 98 -6.850 -10.120 -3.817 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.700 -9.865 -4.087 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.423 -9.032 -3.953 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.488 -11.016 -5.058 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.003 -8.358 -5.240 1.00 0.00 C ATOM 0 H ILE A 98 -4.830 -8.099 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.602 -8.505 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.945 -10.280 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.574 -8.272 -3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.614 -9.676 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.658 -11.633 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.393 -11.621 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.261 -10.620 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.091 -7.785 -5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.820 -9.114 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.795 -7.688 -5.575 1.00 0.00 H new ATOM 1432 N SER A 99 -6.310 -10.294 -5.995 1.00 0.00 N ATOM 1433 CA SER A 99 -7.455 -11.136 -6.324 1.00 0.00 C ATOM 1434 C SER A 99 -7.161 -12.599 -6.009 1.00 0.00 C ATOM 1435 O SER A 99 -8.075 -13.409 -5.860 1.00 0.00 O ATOM 1436 CB SER A 99 -7.818 -10.983 -7.803 1.00 0.00 C ATOM 1437 OG SER A 99 -9.204 -11.191 -8.011 1.00 0.00 O ATOM 0 H SER A 99 -5.700 -10.083 -6.785 1.00 0.00 H new ATOM 0 HA SER A 99 -8.300 -10.814 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.541 -9.987 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.247 -11.696 -8.397 1.00 0.00 H new ATOM 0 HG SER A 99 -9.411 -11.086 -8.963 1.00 0.00 H new