USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 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 29 MET CE :methyl 147:sc= -0.305 (180deg=-2.51!) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.229 K(o=-0.53,f=-4.1!) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0777) USER MOD Single : A 17 TYR OH : rot -30:sc= -0.0615 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 30 SER OG : rot 64:sc= 0.0017 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 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.169 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= -0.944 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 176:sc= 1.25 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.048 USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= -2.54 (180deg=-4.35!) USER MOD Single : A 88 HIS : no HD1:sc= -8.49! C(o=-8.5!,f=-8.8!) USER MOD Single : A 92 SER OG : rot 27:sc= -0.159 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.0256 (180deg=-0.217) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.643 17.564 -3.354 1.00 0.00 N ATOM 86 CA GLY A 9 12.461 17.279 -4.146 1.00 0.00 C ATOM 87 C GLY A 9 11.179 17.450 -3.355 1.00 0.00 C ATOM 88 O GLY A 9 11.200 17.932 -2.222 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.440 17.939 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.518 16.258 -4.524 1.00 0.00 H new ATOM 92 N ASP A 10 10.060 17.056 -3.953 1.00 0.00 N ATOM 93 CA ASP A 10 8.762 17.168 -3.298 1.00 0.00 C ATOM 94 C ASP A 10 7.891 15.954 -3.606 1.00 0.00 C ATOM 95 O ASP A 10 7.407 15.793 -4.726 1.00 0.00 O ATOM 96 CB ASP A 10 8.052 18.448 -3.742 1.00 0.00 C ATOM 97 CG ASP A 10 7.035 18.928 -2.725 1.00 0.00 C ATOM 98 OD1 ASP A 10 6.990 18.357 -1.616 1.00 0.00 O ATOM 99 OD2 ASP A 10 6.284 19.876 -3.039 1.00 0.00 O ATOM 0 H ASP A 10 10.026 16.656 -4.891 1.00 0.00 H new ATOM 0 HA ASP A 10 8.928 17.209 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.792 19.231 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.553 18.272 -4.695 1.00 0.00 H new ATOM 104 N ALA A 11 7.696 15.103 -2.604 1.00 0.00 N ATOM 105 CA ALA A 11 6.883 13.904 -2.768 1.00 0.00 C ATOM 106 C ALA A 11 5.497 14.250 -3.303 1.00 0.00 C ATOM 107 O ALA A 11 4.948 13.533 -4.140 1.00 0.00 O ATOM 108 CB ALA A 11 6.769 13.159 -1.446 1.00 0.00 C ATOM 0 H ALA A 11 8.090 15.222 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 11 7.374 13.258 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.159 12.266 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.763 12.871 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.303 13.806 -0.703 1.00 0.00 H new ATOM 114 N ARG A 12 4.937 15.352 -2.814 1.00 0.00 N ATOM 115 CA ARG A 12 3.614 15.791 -3.242 1.00 0.00 C ATOM 116 C ARG A 12 3.577 16.011 -4.751 1.00 0.00 C ATOM 117 O ARG A 12 2.518 15.930 -5.374 1.00 0.00 O ATOM 118 CB ARG A 12 3.223 17.080 -2.518 1.00 0.00 C ATOM 119 CG ARG A 12 3.148 16.931 -1.007 1.00 0.00 C ATOM 120 CD ARG A 12 1.780 16.438 -0.562 1.00 0.00 C ATOM 121 NE ARG A 12 1.467 16.848 0.804 1.00 0.00 N ATOM 122 CZ ARG A 12 0.465 16.341 1.512 1.00 0.00 C ATOM 123 NH1 ARG A 12 -0.317 15.408 0.987 1.00 0.00 N ATOM 124 NH2 ARG A 12 0.244 16.766 2.750 1.00 0.00 N ATOM 0 H ARG A 12 5.379 15.957 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 12 2.899 15.009 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.946 17.858 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.255 17.416 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.914 16.233 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.361 17.890 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.018 16.823 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.747 15.351 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 12 2.050 17.563 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.150 15.078 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.086 15.020 1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.844 17.483 3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.526 16.376 3.293 1.00 0.00 H new ATOM 138 N ARG A 13 4.739 16.289 -5.333 1.00 0.00 N ATOM 139 CA ARG A 13 4.839 16.523 -6.768 1.00 0.00 C ATOM 140 C ARG A 13 5.043 15.211 -7.520 1.00 0.00 C ATOM 141 O ARG A 13 4.777 15.122 -8.718 1.00 0.00 O ATOM 142 CB ARG A 13 5.991 17.482 -7.072 1.00 0.00 C ATOM 143 CG ARG A 13 5.691 18.928 -6.712 1.00 0.00 C ATOM 144 CD ARG A 13 4.693 19.547 -7.679 1.00 0.00 C ATOM 145 NE ARG A 13 5.346 20.079 -8.872 1.00 0.00 N ATOM 146 CZ ARG A 13 4.726 20.830 -9.776 1.00 0.00 C ATOM 147 NH1 ARG A 13 3.445 21.136 -9.622 1.00 0.00 N ATOM 148 NH2 ARG A 13 5.388 21.278 -10.835 1.00 0.00 N ATOM 0 H ARG A 13 5.625 16.358 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 13 3.904 16.972 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.877 17.157 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.231 17.423 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.295 18.977 -5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.615 19.506 -6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.958 18.797 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.149 20.347 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 13 6.332 19.862 -9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.933 20.795 -8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.971 21.713 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.374 21.046 -10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.911 21.854 -11.528 1.00 0.00 H new ATOM 162 N ALA A 14 5.519 14.195 -6.807 1.00 0.00 N ATOM 163 CA ALA A 14 5.758 12.887 -7.405 1.00 0.00 C ATOM 164 C ALA A 14 4.445 12.187 -7.738 1.00 0.00 C ATOM 165 O ALA A 14 3.503 12.201 -6.944 1.00 0.00 O ATOM 166 CB ALA A 14 6.597 12.025 -6.473 1.00 0.00 C ATOM 0 H ALA A 14 5.747 14.253 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 14 6.306 13.036 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.767 11.051 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.555 12.512 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.071 11.893 -5.528 1.00 0.00 H new ATOM 172 N LYS A 15 4.387 11.575 -8.916 1.00 0.00 N ATOM 173 CA LYS A 15 3.190 10.869 -9.354 1.00 0.00 C ATOM 174 C LYS A 15 3.459 9.373 -9.489 1.00 0.00 C ATOM 175 O LYS A 15 4.599 8.953 -9.691 1.00 0.00 O ATOM 176 CB LYS A 15 2.700 11.432 -10.690 1.00 0.00 C ATOM 177 CG LYS A 15 1.713 12.577 -10.542 1.00 0.00 C ATOM 178 CD LYS A 15 0.281 12.073 -10.474 1.00 0.00 C ATOM 179 CE LYS A 15 -0.338 11.963 -11.859 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.675 13.298 -12.424 1.00 0.00 N ATOM 0 H LYS A 15 5.157 11.554 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 15 2.417 11.015 -8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.559 11.776 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.232 10.631 -11.262 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.944 13.143 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.819 13.261 -11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.260 11.098 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.315 12.749 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.355 11.451 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.240 11.353 -11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.286 13.178 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.173 13.863 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.199 13.787 -12.704 1.00 0.00 H new ATOM 194 N VAL A 16 2.403 8.574 -9.377 1.00 0.00 N ATOM 195 CA VAL A 16 2.525 7.125 -9.490 1.00 0.00 C ATOM 196 C VAL A 16 1.343 6.531 -10.247 1.00 0.00 C ATOM 197 O VAL A 16 0.192 6.676 -9.834 1.00 0.00 O ATOM 198 CB VAL A 16 2.620 6.461 -8.103 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.008 6.652 -7.513 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.554 7.018 -7.172 1.00 0.00 C ATOM 0 H VAL A 16 1.453 8.905 -9.208 1.00 0.00 H new ATOM 0 HA VAL A 16 3.443 6.926 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 16 2.446 5.391 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.056 6.176 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.749 6.200 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.216 7.717 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.636 6.538 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.694 8.093 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.567 6.823 -7.591 1.00 0.00 H new ATOM 210 N TYR A 17 1.635 5.861 -11.356 1.00 0.00 N ATOM 211 CA TYR A 17 0.596 5.245 -12.173 1.00 0.00 C ATOM 212 C TYR A 17 0.981 3.822 -12.563 1.00 0.00 C ATOM 213 O TYR A 17 2.153 3.522 -12.785 1.00 0.00 O ATOM 214 CB TYR A 17 0.344 6.080 -13.429 1.00 0.00 C ATOM 215 CG TYR A 17 1.587 6.751 -13.969 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.031 7.959 -13.446 1.00 0.00 C ATOM 217 CD2 TYR A 17 2.316 6.178 -15.004 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.165 8.576 -13.936 1.00 0.00 C ATOM 219 CE2 TYR A 17 3.452 6.787 -15.500 1.00 0.00 C ATOM 220 CZ TYR A 17 3.873 7.986 -14.963 1.00 0.00 C ATOM 221 OH TYR A 17 5.003 8.597 -15.455 1.00 0.00 O ATOM 0 H TYR A 17 2.583 5.731 -11.710 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.319 5.205 -11.582 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.078 5.439 -14.203 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.402 6.842 -13.205 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.480 8.424 -12.642 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.989 5.240 -15.428 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.496 9.515 -13.518 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.008 6.327 -16.304 1.00 0.00 H new ATOM 0 HH TYR A 17 4.918 9.569 -15.359 1.00 0.00 H new ATOM 231 N GLY A 18 -0.017 2.947 -12.645 1.00 0.00 N ATOM 232 CA GLY A 18 0.236 1.565 -13.009 1.00 0.00 C ATOM 233 C GLY A 18 -0.929 0.654 -12.674 1.00 0.00 C ATOM 234 O GLY A 18 -2.068 1.108 -12.564 1.00 0.00 O ATOM 0 H GLY A 18 -0.996 3.171 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.444 1.506 -14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.128 1.214 -12.491 1.00 0.00 H new ATOM 238 N ARG A 19 -0.644 -0.634 -12.514 1.00 0.00 N ATOM 239 CA ARG A 19 -1.678 -1.611 -12.194 1.00 0.00 C ATOM 240 C ARG A 19 -1.422 -2.246 -10.830 1.00 0.00 C ATOM 241 O ARG A 19 -2.356 -2.628 -10.127 1.00 0.00 O ATOM 242 CB ARG A 19 -1.736 -2.695 -13.271 1.00 0.00 C ATOM 243 CG ARG A 19 -2.904 -3.654 -13.107 1.00 0.00 C ATOM 244 CD ARG A 19 -3.092 -4.519 -14.344 1.00 0.00 C ATOM 245 NE ARG A 19 -3.658 -3.765 -15.458 1.00 0.00 N ATOM 246 CZ ARG A 19 -4.162 -4.331 -16.549 1.00 0.00 C ATOM 247 NH1 ARG A 19 -4.171 -5.652 -16.670 1.00 0.00 N ATOM 248 NH2 ARG A 19 -4.659 -3.577 -17.521 1.00 0.00 N ATOM 0 H ARG A 19 0.294 -1.025 -12.601 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.636 -1.092 -12.160 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.802 -2.220 -14.250 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.806 -3.263 -13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.734 -4.291 -12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.816 -3.089 -12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.131 -4.939 -14.642 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.746 -5.357 -14.104 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.667 -2.747 -15.395 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.791 -6.235 -15.925 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.558 -6.085 -17.508 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.654 -2.561 -17.431 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.046 -4.013 -18.358 1.00 0.00 H new ATOM 262 N GLY A 20 -0.148 -2.355 -10.464 1.00 0.00 N ATOM 263 CA GLY A 20 0.208 -2.945 -9.187 1.00 0.00 C ATOM 264 C GLY A 20 0.099 -1.958 -8.041 1.00 0.00 C ATOM 265 O GLY A 20 0.743 -2.124 -7.005 1.00 0.00 O ATOM 0 H GLY A 20 0.643 -2.045 -11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.442 -3.798 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.228 -3.326 -9.238 1.00 0.00 H new ATOM 269 N LEU A 21 -0.718 -0.927 -8.228 1.00 0.00 N ATOM 270 CA LEU A 21 -0.908 0.093 -7.202 1.00 0.00 C ATOM 271 C LEU A 21 -2.335 0.062 -6.662 1.00 0.00 C ATOM 272 O LEU A 21 -2.573 0.362 -5.492 1.00 0.00 O ATOM 273 CB LEU A 21 -0.595 1.479 -7.768 1.00 0.00 C ATOM 274 CG LEU A 21 0.840 1.699 -8.248 1.00 0.00 C ATOM 275 CD1 LEU A 21 0.965 3.036 -8.962 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.811 1.625 -7.078 1.00 0.00 C ATOM 0 H LEU A 21 -1.259 -0.775 -9.079 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.223 -0.120 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.269 1.669 -8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.819 2.221 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 21 1.092 0.908 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.993 3.175 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.298 3.052 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.694 3.840 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.827 1.784 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.560 2.395 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.741 0.644 -6.609 1.00 0.00 H new ATOM 288 N SER A 22 -3.280 -0.304 -7.523 1.00 0.00 N ATOM 289 CA SER A 22 -4.683 -0.372 -7.133 1.00 0.00 C ATOM 290 C SER A 22 -5.106 -1.816 -6.875 1.00 0.00 C ATOM 291 O SER A 22 -5.531 -2.161 -5.773 1.00 0.00 O ATOM 292 CB SER A 22 -5.567 0.243 -8.220 1.00 0.00 C ATOM 293 OG SER A 22 -5.748 1.632 -8.004 1.00 0.00 O ATOM 0 H SER A 22 -3.099 -0.558 -8.494 1.00 0.00 H new ATOM 0 HA SER A 22 -4.806 0.195 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.113 0.080 -9.198 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.536 -0.256 -8.231 1.00 0.00 H new ATOM 0 HG SER A 22 -6.315 2.002 -8.713 1.00 0.00 H new ATOM 299 N GLU A 23 -4.984 -2.653 -7.900 1.00 0.00 N ATOM 300 CA GLU A 23 -5.354 -4.059 -7.785 1.00 0.00 C ATOM 301 C GLU A 23 -4.184 -4.962 -8.163 1.00 0.00 C ATOM 302 O GLU A 23 -3.094 -4.486 -8.478 1.00 0.00 O ATOM 303 CB GLU A 23 -6.559 -4.367 -8.676 1.00 0.00 C ATOM 304 CG GLU A 23 -6.318 -4.077 -10.148 1.00 0.00 C ATOM 305 CD GLU A 23 -5.536 -5.178 -10.839 1.00 0.00 C ATOM 306 OE1 GLU A 23 -4.289 -5.116 -10.827 1.00 0.00 O ATOM 307 OE2 GLU A 23 -6.171 -6.100 -11.391 1.00 0.00 O ATOM 0 H GLU A 23 -4.632 -2.383 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.620 -4.254 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.827 -5.417 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.412 -3.781 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.276 -3.947 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.777 -3.136 -10.245 1.00 0.00 H new ATOM 314 N GLY A 24 -4.418 -6.271 -8.129 1.00 0.00 N ATOM 315 CA GLY A 24 -3.375 -7.221 -8.470 1.00 0.00 C ATOM 316 C GLY A 24 -3.836 -8.659 -8.342 1.00 0.00 C ATOM 317 O GLY A 24 -4.974 -8.920 -7.951 1.00 0.00 O ATOM 0 H GLY A 24 -5.311 -6.690 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.042 -7.039 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.514 -7.059 -7.821 1.00 0.00 H new ATOM 321 N ARG A 25 -2.952 -9.594 -8.674 1.00 0.00 N ATOM 322 CA ARG A 25 -3.276 -11.013 -8.597 1.00 0.00 C ATOM 323 C ARG A 25 -2.037 -11.836 -8.253 1.00 0.00 C ATOM 324 O ARG A 25 -0.913 -11.452 -8.581 1.00 0.00 O ATOM 325 CB ARG A 25 -3.870 -11.495 -9.921 1.00 0.00 C ATOM 326 CG ARG A 25 -5.384 -11.373 -9.990 1.00 0.00 C ATOM 327 CD ARG A 25 -5.934 -11.984 -11.269 1.00 0.00 C ATOM 328 NE ARG A 25 -7.380 -11.811 -11.380 1.00 0.00 N ATOM 329 CZ ARG A 25 -8.039 -11.854 -12.532 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.385 -12.063 -13.667 1.00 0.00 N ATOM 331 NH2 ARG A 25 -9.356 -11.688 -12.552 1.00 0.00 N ATOM 0 H ARG A 25 -2.006 -9.394 -8.999 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.013 -11.149 -7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.430 -10.921 -10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.590 -12.537 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.830 -11.869 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.668 -10.322 -9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.447 -11.525 -12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.693 -13.047 -11.296 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.913 -11.648 -10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.373 -12.191 -13.656 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.894 -12.096 -14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.863 -11.527 -11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.861 -11.721 -13.438 1.00 0.00 H new ATOM 345 N THR A 26 -2.250 -12.969 -7.591 1.00 0.00 N ATOM 346 CA THR A 26 -1.152 -13.844 -7.202 1.00 0.00 C ATOM 347 C THR A 26 -0.444 -14.416 -8.425 1.00 0.00 C ATOM 348 O THR A 26 -1.020 -14.488 -9.511 1.00 0.00 O ATOM 349 CB THR A 26 -1.646 -15.006 -6.320 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.519 -15.856 -7.072 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.373 -14.481 -5.091 1.00 0.00 C ATOM 0 H THR A 26 -3.173 -13.302 -7.313 1.00 0.00 H new ATOM 0 HA THR A 26 -0.451 -13.236 -6.631 1.00 0.00 H new ATOM 0 HB THR A 26 -0.778 -15.578 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.827 -16.593 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.713 -15.320 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.696 -13.859 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.232 -13.887 -5.403 1.00 0.00 H new ATOM 359 N PHE A 27 0.808 -14.822 -8.243 1.00 0.00 N ATOM 360 CA PHE A 27 1.595 -15.387 -9.333 1.00 0.00 C ATOM 361 C PHE A 27 1.478 -14.529 -10.590 1.00 0.00 C ATOM 362 O PHE A 27 1.452 -15.047 -11.706 1.00 0.00 O ATOM 363 CB PHE A 27 1.138 -16.816 -9.632 1.00 0.00 C ATOM 364 CG PHE A 27 1.619 -17.822 -8.627 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.337 -17.664 -7.279 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.354 -18.926 -9.029 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.778 -18.589 -6.351 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.797 -19.854 -8.105 1.00 0.00 C ATOM 369 CZ PHE A 27 2.510 -19.685 -6.765 1.00 0.00 C ATOM 0 H PHE A 27 1.300 -14.770 -7.351 1.00 0.00 H new ATOM 0 HA PHE A 27 2.640 -15.405 -9.023 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.049 -16.841 -9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.495 -17.103 -10.621 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.766 -16.808 -6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.583 -19.063 -10.075 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.551 -18.455 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.367 -20.711 -8.431 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.857 -20.408 -6.042 1.00 0.00 H new ATOM 379 N GLU A 28 1.408 -13.216 -10.398 1.00 0.00 N ATOM 380 CA GLU A 28 1.292 -12.287 -11.516 1.00 0.00 C ATOM 381 C GLU A 28 2.157 -11.050 -11.288 1.00 0.00 C ATOM 382 O GLU A 28 1.936 -10.291 -10.345 1.00 0.00 O ATOM 383 CB GLU A 28 -0.167 -11.872 -11.715 1.00 0.00 C ATOM 384 CG GLU A 28 -0.336 -10.640 -12.587 1.00 0.00 C ATOM 385 CD GLU A 28 -1.642 -10.645 -13.358 1.00 0.00 C ATOM 386 OE1 GLU A 28 -1.808 -11.516 -14.237 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.498 -9.779 -13.082 1.00 0.00 O ATOM 0 H GLU A 28 1.430 -12.772 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 28 1.643 -12.795 -12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.714 -12.702 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.618 -11.682 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.291 -9.748 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.496 -10.580 -13.289 1.00 0.00 H new ATOM 394 N MET A 29 3.143 -10.856 -12.158 1.00 0.00 N ATOM 395 CA MET A 29 4.040 -9.711 -12.052 1.00 0.00 C ATOM 396 C MET A 29 3.266 -8.401 -12.159 1.00 0.00 C ATOM 397 O MET A 29 2.630 -8.126 -13.176 1.00 0.00 O ATOM 398 CB MET A 29 5.112 -9.774 -13.142 1.00 0.00 C ATOM 399 CG MET A 29 6.429 -9.130 -12.737 1.00 0.00 C ATOM 400 SD MET A 29 7.524 -10.273 -11.874 1.00 0.00 S ATOM 401 CE MET A 29 8.323 -9.166 -10.715 1.00 0.00 C ATOM 0 H MET A 29 3.341 -11.476 -12.943 1.00 0.00 H new ATOM 0 HA MET A 29 4.522 -9.748 -11.075 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.292 -10.817 -13.403 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.736 -9.281 -14.039 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.933 -8.752 -13.627 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.227 -8.272 -12.096 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.542 -9.702 -9.792 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.252 -8.795 -11.148 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.662 -8.326 -10.499 1.00 0.00 H new ATOM 411 N SER A 30 3.325 -7.597 -11.102 1.00 0.00 N ATOM 412 CA SER A 30 2.625 -6.318 -11.076 1.00 0.00 C ATOM 413 C SER A 30 3.599 -5.172 -10.817 1.00 0.00 C ATOM 414 O SER A 30 4.065 -4.980 -9.694 1.00 0.00 O ATOM 415 CB SER A 30 1.537 -6.329 -10.001 1.00 0.00 C ATOM 416 OG SER A 30 0.511 -7.252 -10.324 1.00 0.00 O ATOM 0 H SER A 30 3.850 -7.808 -10.253 1.00 0.00 H new ATOM 0 HA SER A 30 2.161 -6.166 -12.051 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.975 -6.590 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.113 -5.330 -9.898 1.00 0.00 H new ATOM 0 HG SER A 30 0.878 -8.161 -10.328 1.00 0.00 H new ATOM 422 N ASP A 31 3.901 -4.413 -11.865 1.00 0.00 N ATOM 423 CA ASP A 31 4.819 -3.285 -11.753 1.00 0.00 C ATOM 424 C ASP A 31 4.093 -1.968 -12.006 1.00 0.00 C ATOM 425 O ASP A 31 2.981 -1.951 -12.535 1.00 0.00 O ATOM 426 CB ASP A 31 5.976 -3.442 -12.741 1.00 0.00 C ATOM 427 CG ASP A 31 5.536 -4.052 -14.057 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.729 -3.415 -14.767 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.998 -5.167 -14.378 1.00 0.00 O ATOM 0 H ASP A 31 3.524 -4.558 -12.801 1.00 0.00 H new ATOM 0 HA ASP A 31 5.217 -3.271 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.425 -2.466 -12.928 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.749 -4.068 -12.294 1.00 0.00 H new ATOM 434 N PHE A 32 4.728 -0.865 -11.623 1.00 0.00 N ATOM 435 CA PHE A 32 4.142 0.458 -11.806 1.00 0.00 C ATOM 436 C PHE A 32 5.226 1.506 -12.037 1.00 0.00 C ATOM 437 O PHE A 32 6.395 1.287 -11.716 1.00 0.00 O ATOM 438 CB PHE A 32 3.300 0.839 -10.586 1.00 0.00 C ATOM 439 CG PHE A 32 4.051 0.753 -9.289 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.778 1.836 -8.821 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.031 -0.410 -8.536 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.471 1.760 -7.628 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.722 -0.492 -7.342 1.00 0.00 C ATOM 444 CZ PHE A 32 5.442 0.595 -6.887 1.00 0.00 C ATOM 0 H PHE A 32 5.649 -0.861 -11.184 1.00 0.00 H new ATOM 0 HA PHE A 32 3.500 0.425 -12.686 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.928 1.855 -10.714 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.430 0.185 -10.537 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.803 2.750 -9.395 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.469 -1.263 -8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.035 2.611 -7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.699 -1.405 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.981 0.534 -5.953 1.00 0.00 H new ATOM 454 N ILE A 33 4.831 2.644 -12.596 1.00 0.00 N ATOM 455 CA ILE A 33 5.768 3.727 -12.870 1.00 0.00 C ATOM 456 C ILE A 33 5.751 4.764 -11.753 1.00 0.00 C ATOM 457 O ILE A 33 4.742 4.940 -11.069 1.00 0.00 O ATOM 458 CB ILE A 33 5.450 4.422 -14.207 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.979 3.592 -15.378 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.046 5.822 -14.230 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.451 3.259 -15.266 1.00 0.00 C ATOM 0 H ILE A 33 3.868 2.841 -12.868 1.00 0.00 H new ATOM 0 HA ILE A 33 6.760 3.279 -12.931 1.00 0.00 H new ATOM 0 HB ILE A 33 4.368 4.507 -14.307 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.409 2.665 -15.443 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.808 4.137 -16.306 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.813 6.301 -15.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.625 6.410 -13.415 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.128 5.759 -14.111 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.757 2.669 -16.130 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.031 4.181 -15.232 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.626 2.686 -14.355 1.00 0.00 H new ATOM 473 N VAL A 34 6.874 5.452 -11.574 1.00 0.00 N ATOM 474 CA VAL A 34 6.988 6.475 -10.542 1.00 0.00 C ATOM 475 C VAL A 34 7.549 7.773 -11.114 1.00 0.00 C ATOM 476 O VAL A 34 8.744 7.876 -11.391 1.00 0.00 O ATOM 477 CB VAL A 34 7.889 6.007 -9.384 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.259 7.178 -8.487 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.201 4.910 -8.585 1.00 0.00 C ATOM 0 H VAL A 34 7.718 5.319 -12.131 1.00 0.00 H new ATOM 0 HA VAL A 34 5.982 6.653 -10.161 1.00 0.00 H new ATOM 0 HB VAL A 34 8.808 5.598 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.896 6.827 -7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.794 7.928 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.353 7.620 -8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.851 4.591 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.266 5.291 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.992 4.062 -9.237 1.00 0.00 H new ATOM 489 N ASP A 35 6.678 8.761 -11.287 1.00 0.00 N ATOM 490 CA ASP A 35 7.086 10.054 -11.825 1.00 0.00 C ATOM 491 C ASP A 35 7.710 10.922 -10.737 1.00 0.00 C ATOM 492 O ASP A 35 7.014 11.436 -9.861 1.00 0.00 O ATOM 493 CB ASP A 35 5.887 10.774 -12.444 1.00 0.00 C ATOM 494 CG ASP A 35 6.073 12.278 -12.486 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.723 12.770 -13.432 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.568 12.963 -11.572 1.00 0.00 O ATOM 0 H ASP A 35 5.685 8.692 -11.063 1.00 0.00 H new ATOM 0 HA ASP A 35 7.834 9.879 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.727 10.402 -13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.990 10.538 -11.872 1.00 0.00 H new ATOM 501 N THR A 36 9.029 11.082 -10.798 1.00 0.00 N ATOM 502 CA THR A 36 9.748 11.885 -9.818 1.00 0.00 C ATOM 503 C THR A 36 10.457 13.059 -10.483 1.00 0.00 C ATOM 504 O THR A 36 10.756 14.063 -9.836 1.00 0.00 O ATOM 505 CB THR A 36 10.784 11.042 -9.051 1.00 0.00 C ATOM 506 OG1 THR A 36 11.478 10.177 -9.957 1.00 0.00 O ATOM 507 CG2 THR A 36 10.112 10.215 -7.966 1.00 0.00 C ATOM 0 H THR A 36 9.621 10.665 -11.517 1.00 0.00 H new ATOM 0 HA THR A 36 9.006 12.263 -9.114 1.00 0.00 H new ATOM 0 HB THR A 36 11.495 11.720 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.136 9.645 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.864 9.628 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.609 10.878 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.381 9.545 -8.419 1.00 0.00 H new ATOM 515 N ARG A 37 10.722 12.927 -11.779 1.00 0.00 N ATOM 516 CA ARG A 37 11.397 13.978 -12.531 1.00 0.00 C ATOM 517 C ARG A 37 10.650 15.302 -12.406 1.00 0.00 C ATOM 518 O ARG A 37 11.235 16.374 -12.561 1.00 0.00 O ATOM 519 CB ARG A 37 11.515 13.584 -14.005 1.00 0.00 C ATOM 520 CG ARG A 37 10.173 13.397 -14.694 1.00 0.00 C ATOM 521 CD ARG A 37 10.340 12.823 -16.092 1.00 0.00 C ATOM 522 NE ARG A 37 9.054 12.541 -16.725 1.00 0.00 N ATOM 523 CZ ARG A 37 8.915 12.278 -18.020 1.00 0.00 C ATOM 524 NH1 ARG A 37 9.976 12.261 -18.814 1.00 0.00 N ATOM 525 NH2 ARG A 37 7.712 12.032 -18.522 1.00 0.00 N ATOM 0 H ARG A 37 10.480 12.103 -12.329 1.00 0.00 H new ATOM 0 HA ARG A 37 12.396 14.104 -12.114 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.081 14.351 -14.533 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.085 12.658 -14.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.547 12.732 -14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.656 14.355 -14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.901 13.526 -16.708 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.927 11.906 -16.040 1.00 0.00 H new ATOM 0 HE ARG A 37 8.218 12.546 -16.141 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.902 12.450 -18.431 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.866 12.059 -19.808 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.893 12.045 -17.914 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.606 11.830 -19.516 1.00 0.00 H new ATOM 539 N ASP A 38 9.354 15.220 -12.124 1.00 0.00 N ATOM 540 CA ASP A 38 8.527 16.412 -11.977 1.00 0.00 C ATOM 541 C ASP A 38 8.634 16.977 -10.564 1.00 0.00 C ATOM 542 O ASP A 38 8.449 18.175 -10.348 1.00 0.00 O ATOM 543 CB ASP A 38 7.067 16.088 -12.300 1.00 0.00 C ATOM 544 CG ASP A 38 6.275 17.319 -12.694 1.00 0.00 C ATOM 545 OD1 ASP A 38 5.879 18.085 -11.789 1.00 0.00 O ATOM 546 OD2 ASP A 38 6.051 17.518 -13.906 1.00 0.00 O ATOM 0 H ASP A 38 8.854 14.341 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 38 8.889 17.164 -12.678 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.030 15.361 -13.111 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.601 15.622 -11.432 1.00 0.00 H new ATOM 551 N ALA A 39 8.934 16.107 -9.605 1.00 0.00 N ATOM 552 CA ALA A 39 9.067 16.520 -8.213 1.00 0.00 C ATOM 553 C ALA A 39 10.386 17.248 -7.980 1.00 0.00 C ATOM 554 O ALA A 39 10.402 18.421 -7.611 1.00 0.00 O ATOM 555 CB ALA A 39 8.957 15.313 -7.293 1.00 0.00 C ATOM 0 H ALA A 39 9.090 15.112 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 39 8.256 17.212 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.058 15.635 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.986 14.837 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.748 14.601 -7.530 1.00 0.00 H new ATOM 561 N GLY A 40 11.492 16.543 -8.198 1.00 0.00 N ATOM 562 CA GLY A 40 12.801 17.139 -8.006 1.00 0.00 C ATOM 563 C GLY A 40 13.894 16.100 -7.849 1.00 0.00 C ATOM 564 O GLY A 40 14.194 15.358 -8.786 1.00 0.00 O ATOM 0 H GLY A 40 11.505 15.570 -8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.033 17.780 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.780 17.777 -7.122 1.00 0.00 H new ATOM 568 N TYR A 41 14.492 16.046 -6.664 1.00 0.00 N ATOM 569 CA TYR A 41 15.560 15.093 -6.390 1.00 0.00 C ATOM 570 C TYR A 41 15.468 14.568 -4.960 1.00 0.00 C ATOM 571 O TYR A 41 14.891 15.213 -4.086 1.00 0.00 O ATOM 572 CB TYR A 41 16.925 15.745 -6.618 1.00 0.00 C ATOM 573 CG TYR A 41 18.078 14.769 -6.572 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.045 13.590 -7.307 1.00 0.00 C ATOM 575 CD2 TYR A 41 19.200 15.024 -5.793 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.096 12.694 -7.267 1.00 0.00 C ATOM 577 CE2 TYR A 41 20.256 14.135 -5.748 1.00 0.00 C ATOM 578 CZ TYR A 41 20.200 12.971 -6.487 1.00 0.00 C ATOM 579 OH TYR A 41 21.249 12.082 -6.444 1.00 0.00 O ATOM 0 H TYR A 41 14.255 16.651 -5.878 1.00 0.00 H new ATOM 0 HA TYR A 41 15.447 14.253 -7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.922 16.245 -7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.081 16.515 -5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.183 13.370 -7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.247 15.933 -5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.054 11.782 -7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 41 21.121 14.350 -5.138 1.00 0.00 H new ATOM 0 HH TYR A 41 21.947 12.428 -5.849 1.00 0.00 H new ATOM 589 N GLY A 42 16.043 13.391 -4.730 1.00 0.00 N ATOM 590 CA GLY A 42 16.016 12.798 -3.406 1.00 0.00 C ATOM 591 C GLY A 42 16.110 11.286 -3.446 1.00 0.00 C ATOM 592 O GLY A 42 16.052 10.682 -4.516 1.00 0.00 O ATOM 0 H GLY A 42 16.527 12.838 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.843 13.195 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.095 13.088 -2.900 1.00 0.00 H new ATOM 596 N GLY A 43 16.258 10.673 -2.276 1.00 0.00 N ATOM 597 CA GLY A 43 16.360 9.227 -2.204 1.00 0.00 C ATOM 598 C GLY A 43 15.006 8.554 -2.094 1.00 0.00 C ATOM 599 O GLY A 43 14.189 8.924 -1.251 1.00 0.00 O ATOM 0 H GLY A 43 16.309 11.152 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.875 8.858 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.970 8.951 -1.344 1.00 0.00 H new ATOM 603 N ILE A 44 14.767 7.566 -2.950 1.00 0.00 N ATOM 604 CA ILE A 44 13.502 6.842 -2.945 1.00 0.00 C ATOM 605 C ILE A 44 13.585 5.597 -2.068 1.00 0.00 C ATOM 606 O ILE A 44 14.596 4.896 -2.061 1.00 0.00 O ATOM 607 CB ILE A 44 13.087 6.426 -4.369 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.886 7.663 -5.247 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.818 5.588 -4.327 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.733 7.341 -6.717 1.00 0.00 C ATOM 0 H ILE A 44 15.432 7.249 -3.655 1.00 0.00 H new ATOM 0 HA ILE A 44 12.751 7.520 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 44 13.884 5.822 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.001 8.200 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.736 8.333 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.537 5.302 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.993 4.692 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.013 6.169 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.594 8.264 -7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.628 6.831 -7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.866 6.696 -6.860 1.00 0.00 H new ATOM 622 N SER A 45 12.512 5.328 -1.330 1.00 0.00 N ATOM 623 CA SER A 45 12.463 4.169 -0.447 1.00 0.00 C ATOM 624 C SER A 45 11.208 3.341 -0.706 1.00 0.00 C ATOM 625 O SER A 45 10.087 3.836 -0.583 1.00 0.00 O ATOM 626 CB SER A 45 12.501 4.614 1.016 1.00 0.00 C ATOM 627 OG SER A 45 13.820 4.950 1.413 1.00 0.00 O ATOM 0 H SER A 45 11.666 5.897 -1.326 1.00 0.00 H new ATOM 0 HA SER A 45 13.335 3.549 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.846 5.474 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.119 3.816 1.652 1.00 0.00 H new ATOM 0 HG SER A 45 13.817 5.233 2.351 1.00 0.00 H new ATOM 633 N LEU A 46 11.404 2.078 -1.066 1.00 0.00 N ATOM 634 CA LEU A 46 10.289 1.179 -1.343 1.00 0.00 C ATOM 635 C LEU A 46 10.291 -0.004 -0.380 1.00 0.00 C ATOM 636 O LEU A 46 11.348 -0.496 0.012 1.00 0.00 O ATOM 637 CB LEU A 46 10.360 0.677 -2.786 1.00 0.00 C ATOM 638 CG LEU A 46 10.568 1.746 -3.860 1.00 0.00 C ATOM 639 CD1 LEU A 46 11.062 1.115 -5.152 1.00 0.00 C ATOM 640 CD2 LEU A 46 9.279 2.518 -4.100 1.00 0.00 C ATOM 0 H LEU A 46 12.325 1.653 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 46 9.362 1.735 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.173 -0.045 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.437 0.141 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 46 11.327 2.445 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.204 1.891 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.009 0.608 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.327 0.394 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.445 3.274 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.500 1.831 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.967 3.002 -3.175 1.00 0.00 H new ATOM 652 N ALA A 47 9.099 -0.457 -0.006 1.00 0.00 N ATOM 653 CA ALA A 47 8.963 -1.585 0.907 1.00 0.00 C ATOM 654 C ALA A 47 7.531 -2.110 0.922 1.00 0.00 C ATOM 655 O ALA A 47 6.598 -1.389 1.276 1.00 0.00 O ATOM 656 CB ALA A 47 9.394 -1.183 2.310 1.00 0.00 C ATOM 0 H ALA A 47 8.214 -0.060 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 47 9.612 -2.386 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.287 -2.035 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.436 -0.863 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.768 -0.363 2.662 1.00 0.00 H new ATOM 662 N VAL A 48 7.364 -3.371 0.535 1.00 0.00 N ATOM 663 CA VAL A 48 6.046 -3.992 0.504 1.00 0.00 C ATOM 664 C VAL A 48 5.834 -4.892 1.716 1.00 0.00 C ATOM 665 O VAL A 48 6.670 -5.741 2.024 1.00 0.00 O ATOM 666 CB VAL A 48 5.846 -4.822 -0.778 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.464 -5.457 -0.794 1.00 0.00 C ATOM 668 CG2 VAL A 48 6.058 -3.956 -2.011 1.00 0.00 C ATOM 0 H VAL A 48 8.125 -3.982 0.239 1.00 0.00 H new ATOM 0 HA VAL A 48 5.315 -3.183 0.522 1.00 0.00 H new ATOM 0 HB VAL A 48 6.587 -5.622 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.342 -6.039 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.354 -6.111 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.704 -4.676 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.913 -4.558 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.342 -3.134 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.071 -3.554 -2.004 1.00 0.00 H new ATOM 678 N GLU A 49 4.710 -4.700 2.401 1.00 0.00 N ATOM 679 CA GLU A 49 4.389 -5.495 3.580 1.00 0.00 C ATOM 680 C GLU A 49 3.030 -6.171 3.427 1.00 0.00 C ATOM 681 O GLU A 49 1.988 -5.522 3.517 1.00 0.00 O ATOM 682 CB GLU A 49 4.396 -4.616 4.832 1.00 0.00 C ATOM 683 CG GLU A 49 5.763 -4.042 5.165 1.00 0.00 C ATOM 684 CD GLU A 49 5.691 -2.910 6.173 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.544 -3.200 7.379 1.00 0.00 O ATOM 686 OE2 GLU A 49 5.781 -1.737 5.756 1.00 0.00 O ATOM 0 H GLU A 49 4.007 -4.001 2.159 1.00 0.00 H new ATOM 0 HA GLU A 49 5.150 -6.268 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.691 -3.796 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.041 -5.203 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.399 -4.834 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.233 -3.680 4.251 1.00 0.00 H new ATOM 693 N GLY A 50 3.049 -7.480 3.195 1.00 0.00 N ATOM 694 CA GLY A 50 1.812 -8.222 3.033 1.00 0.00 C ATOM 695 C GLY A 50 1.828 -9.544 3.774 1.00 0.00 C ATOM 696 O GLY A 50 2.640 -9.767 4.672 1.00 0.00 O ATOM 0 H GLY A 50 3.898 -8.040 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.979 -7.617 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.638 -8.405 1.973 1.00 0.00 H new ATOM 700 N PRO A 51 0.913 -10.449 3.398 1.00 0.00 N ATOM 701 CA PRO A 51 0.803 -11.772 4.021 1.00 0.00 C ATOM 702 C PRO A 51 1.982 -12.675 3.675 1.00 0.00 C ATOM 703 O PRO A 51 2.144 -13.749 4.254 1.00 0.00 O ATOM 704 CB PRO A 51 -0.493 -12.335 3.434 1.00 0.00 C ATOM 705 CG PRO A 51 -0.658 -11.628 2.133 1.00 0.00 C ATOM 706 CD PRO A 51 -0.086 -10.252 2.334 1.00 0.00 C ATOM 0 HA PRO A 51 0.802 -11.711 5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.428 -13.414 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.340 -12.151 4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.136 -12.155 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.709 -11.576 1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.370 -9.869 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.854 -9.537 2.631 1.00 0.00 H new ATOM 714 N SER A 52 2.802 -12.233 2.726 1.00 0.00 N ATOM 715 CA SER A 52 3.964 -13.004 2.300 1.00 0.00 C ATOM 716 C SER A 52 5.013 -12.098 1.663 1.00 0.00 C ATOM 717 O SER A 52 4.691 -11.037 1.127 1.00 0.00 O ATOM 718 CB SER A 52 3.545 -14.093 1.311 1.00 0.00 C ATOM 719 OG SER A 52 4.471 -15.166 1.311 1.00 0.00 O ATOM 0 H SER A 52 2.683 -11.345 2.238 1.00 0.00 H new ATOM 0 HA SER A 52 4.401 -13.473 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.554 -14.464 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.473 -13.670 0.309 1.00 0.00 H new ATOM 0 HG SER A 52 4.180 -15.850 0.672 1.00 0.00 H new ATOM 725 N LYS A 53 6.270 -12.525 1.725 1.00 0.00 N ATOM 726 CA LYS A 53 7.368 -11.755 1.153 1.00 0.00 C ATOM 727 C LYS A 53 7.262 -11.701 -0.367 1.00 0.00 C ATOM 728 O LYS A 53 6.906 -12.688 -1.010 1.00 0.00 O ATOM 729 CB LYS A 53 8.711 -12.365 1.560 1.00 0.00 C ATOM 730 CG LYS A 53 9.911 -11.539 1.127 1.00 0.00 C ATOM 731 CD LYS A 53 11.218 -12.241 1.454 1.00 0.00 C ATOM 732 CE LYS A 53 11.655 -13.161 0.325 1.00 0.00 C ATOM 733 NZ LYS A 53 12.605 -14.206 0.796 1.00 0.00 N ATOM 0 H LYS A 53 6.553 -13.400 2.166 1.00 0.00 H new ATOM 0 HA LYS A 53 7.305 -10.738 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.734 -12.483 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.793 -13.363 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.856 -11.351 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.884 -10.569 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.994 -11.499 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.102 -12.819 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.779 -13.638 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.125 -12.572 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.879 -14.812 -0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.453 -13.752 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.148 -14.785 1.529 1.00 0.00 H new ATOM 747 N VAL A 54 7.574 -10.541 -0.937 1.00 0.00 N ATOM 748 CA VAL A 54 7.516 -10.359 -2.382 1.00 0.00 C ATOM 749 C VAL A 54 8.741 -9.608 -2.892 1.00 0.00 C ATOM 750 O VAL A 54 9.013 -8.484 -2.468 1.00 0.00 O ATOM 751 CB VAL A 54 6.247 -9.594 -2.801 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.053 -10.534 -2.866 1.00 0.00 C ATOM 753 CG2 VAL A 54 5.979 -8.443 -1.843 1.00 0.00 C ATOM 0 H VAL A 54 7.870 -9.713 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 54 7.494 -11.355 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 54 6.406 -9.179 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.166 -9.975 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.248 -11.320 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.888 -10.981 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.079 -7.913 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.840 -8.833 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.826 -7.757 -1.853 1.00 0.00 H new ATOM 763 N ASP A 55 9.476 -10.235 -3.803 1.00 0.00 N ATOM 764 CA ASP A 55 10.672 -9.625 -4.372 1.00 0.00 C ATOM 765 C ASP A 55 10.342 -8.286 -5.023 1.00 0.00 C ATOM 766 O ASP A 55 9.216 -8.061 -5.466 1.00 0.00 O ATOM 767 CB ASP A 55 11.309 -10.562 -5.399 1.00 0.00 C ATOM 768 CG ASP A 55 11.940 -11.782 -4.757 1.00 0.00 C ATOM 769 OD1 ASP A 55 11.268 -12.429 -3.927 1.00 0.00 O ATOM 770 OD2 ASP A 55 13.105 -12.090 -5.084 1.00 0.00 O ATOM 0 H ASP A 55 9.265 -11.165 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 55 11.381 -9.450 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.551 -10.882 -6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.068 -10.018 -5.962 1.00 0.00 H new ATOM 775 N ILE A 56 11.331 -7.399 -5.075 1.00 0.00 N ATOM 776 CA ILE A 56 11.145 -6.083 -5.672 1.00 0.00 C ATOM 777 C ILE A 56 12.297 -5.736 -6.609 1.00 0.00 C ATOM 778 O ILE A 56 13.437 -5.578 -6.174 1.00 0.00 O ATOM 779 CB ILE A 56 11.027 -4.988 -4.595 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.844 -5.279 -3.668 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.874 -3.621 -5.244 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.516 -4.138 -2.731 1.00 0.00 C ATOM 0 H ILE A 56 12.269 -7.569 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 56 10.216 -6.123 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 56 11.940 -4.986 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.966 -5.506 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.064 -6.170 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.792 -2.858 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.745 -3.414 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.976 -3.610 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.668 -4.414 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.379 -3.925 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.264 -3.251 -3.312 1.00 0.00 H new ATOM 794 N GLN A 57 11.990 -5.617 -7.897 1.00 0.00 N ATOM 795 CA GLN A 57 13.000 -5.288 -8.895 1.00 0.00 C ATOM 796 C GLN A 57 12.857 -3.841 -9.357 1.00 0.00 C ATOM 797 O GLN A 57 11.797 -3.431 -9.831 1.00 0.00 O ATOM 798 CB GLN A 57 12.890 -6.232 -10.094 1.00 0.00 C ATOM 799 CG GLN A 57 13.295 -7.663 -9.780 1.00 0.00 C ATOM 800 CD GLN A 57 12.137 -8.499 -9.273 1.00 0.00 C ATOM 801 OE1 GLN A 57 10.973 -8.135 -9.439 1.00 0.00 O ATOM 802 NE2 GLN A 57 12.451 -9.629 -8.650 1.00 0.00 N ATOM 0 H GLN A 57 11.050 -5.744 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 57 13.981 -5.409 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.863 -6.225 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.517 -5.855 -10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.707 -8.125 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.088 -7.656 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.430 -9.893 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.714 -10.233 -8.287 1.00 0.00 H new ATOM 811 N THR A 58 13.932 -3.071 -9.215 1.00 0.00 N ATOM 812 CA THR A 58 13.926 -1.670 -9.617 1.00 0.00 C ATOM 813 C THR A 58 14.912 -1.419 -10.751 1.00 0.00 C ATOM 814 O THR A 58 15.893 -2.146 -10.905 1.00 0.00 O ATOM 815 CB THR A 58 14.275 -0.746 -8.435 1.00 0.00 C ATOM 816 OG1 THR A 58 15.421 -1.250 -7.740 1.00 0.00 O ATOM 817 CG2 THR A 58 13.102 -0.632 -7.472 1.00 0.00 C ATOM 0 H THR A 58 14.817 -3.394 -8.825 1.00 0.00 H new ATOM 0 HA THR A 58 12.917 -1.444 -9.961 1.00 0.00 H new ATOM 0 HB THR A 58 14.498 0.245 -8.831 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.637 -0.656 -6.991 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.372 0.025 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.240 -0.220 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.853 -1.619 -7.083 1.00 0.00 H new ATOM 825 N GLU A 59 14.646 -0.385 -11.543 1.00 0.00 N ATOM 826 CA GLU A 59 15.512 -0.039 -12.664 1.00 0.00 C ATOM 827 C GLU A 59 15.279 1.403 -13.107 1.00 0.00 C ATOM 828 O GLU A 59 14.138 1.850 -13.227 1.00 0.00 O ATOM 829 CB GLU A 59 15.268 -0.990 -13.837 1.00 0.00 C ATOM 830 CG GLU A 59 16.044 -0.621 -15.091 1.00 0.00 C ATOM 831 CD GLU A 59 15.638 -1.452 -16.293 1.00 0.00 C ATOM 832 OE1 GLU A 59 14.507 -1.264 -16.789 1.00 0.00 O ATOM 833 OE2 GLU A 59 16.451 -2.289 -16.738 1.00 0.00 O ATOM 0 H GLU A 59 13.838 0.227 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 59 16.546 -0.137 -12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.540 -2.002 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.203 -1.002 -14.069 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.887 0.434 -15.314 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.110 -0.753 -14.906 1.00 0.00 H new ATOM 840 N ASP A 60 16.367 2.125 -13.348 1.00 0.00 N ATOM 841 CA ASP A 60 16.283 3.516 -13.778 1.00 0.00 C ATOM 842 C ASP A 60 16.012 3.606 -15.276 1.00 0.00 C ATOM 843 O ASP A 60 16.815 3.149 -16.092 1.00 0.00 O ATOM 844 CB ASP A 60 17.576 4.257 -13.435 1.00 0.00 C ATOM 845 CG ASP A 60 17.783 5.488 -14.296 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.261 6.562 -13.931 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.468 5.377 -15.334 1.00 0.00 O ATOM 0 H ASP A 60 17.319 1.770 -13.253 1.00 0.00 H new ATOM 0 HA ASP A 60 15.454 3.985 -13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.556 4.550 -12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.423 3.582 -13.561 1.00 0.00 H new ATOM 852 N LEU A 61 14.877 4.196 -15.633 1.00 0.00 N ATOM 853 CA LEU A 61 14.499 4.345 -17.034 1.00 0.00 C ATOM 854 C LEU A 61 15.165 5.571 -17.650 1.00 0.00 C ATOM 855 O LEU A 61 15.940 6.264 -16.992 1.00 0.00 O ATOM 856 CB LEU A 61 12.979 4.457 -17.164 1.00 0.00 C ATOM 857 CG LEU A 61 12.182 3.196 -16.827 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.694 3.434 -17.033 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.658 2.022 -17.670 1.00 0.00 C ATOM 0 H LEU A 61 14.202 4.579 -14.971 1.00 0.00 H new ATOM 0 HA LEU A 61 14.839 3.460 -17.572 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.637 5.263 -16.515 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.742 4.750 -18.187 1.00 0.00 H new ATOM 0 HG LEU A 61 12.349 2.954 -15.777 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.143 2.526 -16.788 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.362 4.245 -16.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.509 3.701 -18.073 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.079 1.134 -17.416 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.522 2.254 -18.726 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.714 1.836 -17.472 1.00 0.00 H new ATOM 871 N GLU A 62 14.855 5.833 -18.916 1.00 0.00 N ATOM 872 CA GLU A 62 15.423 6.977 -19.619 1.00 0.00 C ATOM 873 C GLU A 62 14.743 8.274 -19.187 1.00 0.00 C ATOM 874 O GLU A 62 15.376 9.328 -19.127 1.00 0.00 O ATOM 875 CB GLU A 62 15.283 6.795 -21.132 1.00 0.00 C ATOM 876 CG GLU A 62 13.841 6.759 -21.610 1.00 0.00 C ATOM 877 CD GLU A 62 13.700 6.156 -22.994 1.00 0.00 C ATOM 878 OE1 GLU A 62 14.486 5.246 -23.328 1.00 0.00 O ATOM 879 OE2 GLU A 62 12.802 6.595 -23.743 1.00 0.00 O ATOM 0 H GLU A 62 14.215 5.269 -19.475 1.00 0.00 H new ATOM 0 HA GLU A 62 16.481 7.039 -19.364 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.804 7.608 -21.637 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.777 5.869 -21.425 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.243 6.183 -20.904 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.439 7.772 -21.617 1.00 0.00 H new ATOM 886 N ASP A 63 13.452 8.187 -18.888 1.00 0.00 N ATOM 887 CA ASP A 63 12.686 9.352 -18.461 1.00 0.00 C ATOM 888 C ASP A 63 13.124 9.812 -17.074 1.00 0.00 C ATOM 889 O ASP A 63 12.782 10.909 -16.637 1.00 0.00 O ATOM 890 CB ASP A 63 11.190 9.032 -18.458 1.00 0.00 C ATOM 891 CG ASP A 63 10.721 8.440 -19.773 1.00 0.00 C ATOM 892 OD1 ASP A 63 11.310 7.430 -20.212 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.767 8.988 -20.363 1.00 0.00 O ATOM 0 H ASP A 63 12.914 7.322 -18.933 1.00 0.00 H new ATOM 0 HA ASP A 63 12.875 10.160 -19.168 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.973 8.333 -17.650 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.627 9.942 -18.252 1.00 0.00 H new ATOM 898 N GLY A 64 13.882 8.963 -16.387 1.00 0.00 N ATOM 899 CA GLY A 64 14.353 9.300 -15.056 1.00 0.00 C ATOM 900 C GLY A 64 13.418 8.808 -13.969 1.00 0.00 C ATOM 901 O GLY A 64 13.529 9.217 -12.812 1.00 0.00 O ATOM 0 H GLY A 64 14.178 8.048 -16.728 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.342 8.868 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.462 10.382 -14.975 1.00 0.00 H new ATOM 905 N THR A 65 12.493 7.928 -14.339 1.00 0.00 N ATOM 906 CA THR A 65 11.533 7.383 -13.387 1.00 0.00 C ATOM 907 C THR A 65 11.982 6.019 -12.874 1.00 0.00 C ATOM 908 O THR A 65 12.950 5.446 -13.374 1.00 0.00 O ATOM 909 CB THR A 65 10.134 7.247 -14.016 1.00 0.00 C ATOM 910 OG1 THR A 65 10.165 6.286 -15.078 1.00 0.00 O ATOM 911 CG2 THR A 65 9.648 8.586 -14.551 1.00 0.00 C ATOM 0 H THR A 65 12.388 7.577 -15.291 1.00 0.00 H new ATOM 0 HA THR A 65 11.482 8.083 -12.553 1.00 0.00 H new ATOM 0 HB THR A 65 9.444 6.911 -13.242 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.271 6.204 -15.471 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.658 8.465 -14.990 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.597 9.307 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.341 8.947 -15.311 1.00 0.00 H new ATOM 919 N CYS A 66 11.273 5.506 -11.875 1.00 0.00 N ATOM 920 CA CYS A 66 11.599 4.208 -11.295 1.00 0.00 C ATOM 921 C CYS A 66 10.421 3.247 -11.415 1.00 0.00 C ATOM 922 O CYS A 66 9.362 3.468 -10.828 1.00 0.00 O ATOM 923 CB CYS A 66 11.994 4.368 -9.826 1.00 0.00 C ATOM 924 SG CYS A 66 12.979 3.000 -9.173 1.00 0.00 S ATOM 0 H CYS A 66 10.469 5.968 -11.450 1.00 0.00 H new ATOM 0 HA CYS A 66 12.441 3.792 -11.848 1.00 0.00 H new ATOM 0 HB2 CYS A 66 12.557 5.294 -9.711 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.089 4.469 -9.227 1.00 0.00 H new ATOM 0 HG CYS A 66 13.265 3.228 -7.926 1.00 0.00 H new ATOM 930 N LYS A 67 10.612 2.179 -12.182 1.00 0.00 N ATOM 931 CA LYS A 67 9.566 1.182 -12.381 1.00 0.00 C ATOM 932 C LYS A 67 9.764 -0.008 -11.448 1.00 0.00 C ATOM 933 O LYS A 67 10.633 -0.849 -11.674 1.00 0.00 O ATOM 934 CB LYS A 67 9.556 0.707 -13.836 1.00 0.00 C ATOM 935 CG LYS A 67 8.395 -0.214 -14.167 1.00 0.00 C ATOM 936 CD LYS A 67 8.316 -0.498 -15.657 1.00 0.00 C ATOM 937 CE LYS A 67 9.247 -1.632 -16.059 1.00 0.00 C ATOM 938 NZ LYS A 67 8.590 -2.962 -15.930 1.00 0.00 N ATOM 0 H LYS A 67 11.482 1.981 -12.676 1.00 0.00 H new ATOM 0 HA LYS A 67 8.607 1.646 -12.150 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.518 1.576 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.491 0.189 -14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.507 -1.152 -13.622 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.462 0.240 -13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.291 -0.755 -15.926 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.576 0.402 -16.214 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.573 -1.486 -17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.141 -1.606 -15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.257 -3.708 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.302 -3.112 -14.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.752 -2.996 -16.544 1.00 0.00 H new ATOM 952 N VAL A 68 8.950 -0.073 -10.399 1.00 0.00 N ATOM 953 CA VAL A 68 9.034 -1.162 -9.433 1.00 0.00 C ATOM 954 C VAL A 68 8.281 -2.393 -9.926 1.00 0.00 C ATOM 955 O VAL A 68 7.242 -2.279 -10.575 1.00 0.00 O ATOM 956 CB VAL A 68 8.468 -0.742 -8.063 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.758 -1.807 -7.016 1.00 0.00 C ATOM 958 CG2 VAL A 68 9.039 0.603 -7.641 1.00 0.00 C ATOM 0 H VAL A 68 8.225 0.615 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 68 10.091 -1.406 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 68 7.386 -0.640 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.351 -1.493 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.296 -2.747 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.835 -1.945 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.629 0.884 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.124 0.531 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.774 1.359 -8.380 1.00 0.00 H new ATOM 968 N SER A 69 8.813 -3.570 -9.612 1.00 0.00 N ATOM 969 CA SER A 69 8.194 -4.824 -10.026 1.00 0.00 C ATOM 970 C SER A 69 8.252 -5.855 -8.903 1.00 0.00 C ATOM 971 O SER A 69 9.284 -6.024 -8.253 1.00 0.00 O ATOM 972 CB SER A 69 8.888 -5.372 -11.274 1.00 0.00 C ATOM 973 OG SER A 69 8.961 -4.388 -12.291 1.00 0.00 O ATOM 0 H SER A 69 9.671 -3.681 -9.072 1.00 0.00 H new ATOM 0 HA SER A 69 7.148 -4.625 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.892 -5.709 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.345 -6.242 -11.644 1.00 0.00 H new ATOM 0 HG SER A 69 9.410 -4.763 -13.077 1.00 0.00 H new ATOM 979 N TYR A 70 7.137 -6.542 -8.682 1.00 0.00 N ATOM 980 CA TYR A 70 7.059 -7.555 -7.636 1.00 0.00 C ATOM 981 C TYR A 70 6.220 -8.745 -8.092 1.00 0.00 C ATOM 982 O TYR A 70 5.391 -8.626 -8.995 1.00 0.00 O ATOM 983 CB TYR A 70 6.464 -6.957 -6.360 1.00 0.00 C ATOM 984 CG TYR A 70 4.980 -6.682 -6.455 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.509 -5.457 -6.913 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.049 -7.645 -6.086 1.00 0.00 C ATOM 987 CE1 TYR A 70 3.154 -5.201 -7.001 1.00 0.00 C ATOM 988 CE2 TYR A 70 2.693 -7.398 -6.172 1.00 0.00 C ATOM 989 CZ TYR A 70 2.250 -6.175 -6.630 1.00 0.00 C ATOM 990 OH TYR A 70 0.900 -5.924 -6.716 1.00 0.00 O ATOM 0 H TYR A 70 6.275 -6.416 -9.213 1.00 0.00 H new ATOM 0 HA TYR A 70 8.070 -7.904 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.646 -7.639 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.983 -6.027 -6.128 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.214 -4.693 -7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.392 -8.604 -5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.804 -4.244 -7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.983 -8.159 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 70 0.401 -6.713 -6.418 1.00 0.00 H new ATOM 1000 N PHE A 71 6.441 -9.893 -7.461 1.00 0.00 N ATOM 1001 CA PHE A 71 5.707 -11.106 -7.801 1.00 0.00 C ATOM 1002 C PHE A 71 5.045 -11.707 -6.564 1.00 0.00 C ATOM 1003 O PHE A 71 5.676 -12.400 -5.766 1.00 0.00 O ATOM 1004 CB PHE A 71 6.644 -12.133 -8.441 1.00 0.00 C ATOM 1005 CG PHE A 71 5.924 -13.218 -9.189 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.335 -12.958 -10.416 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.835 -14.498 -8.666 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.671 -13.955 -11.107 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.173 -15.498 -9.351 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.591 -15.227 -10.574 1.00 0.00 C ATOM 0 H PHE A 71 7.123 -10.009 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 71 4.928 -10.840 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.321 -11.619 -9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.259 -12.586 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.395 -11.965 -10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.289 -14.716 -7.711 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.216 -13.739 -12.062 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.110 -16.491 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.075 -16.008 -11.112 1.00 0.00 H new ATOM 1020 N PRO A 72 3.742 -11.433 -6.399 1.00 0.00 N ATOM 1021 CA PRO A 72 2.966 -11.936 -5.262 1.00 0.00 C ATOM 1022 C PRO A 72 2.741 -13.442 -5.334 1.00 0.00 C ATOM 1023 O PRO A 72 2.566 -14.004 -6.416 1.00 0.00 O ATOM 1024 CB PRO A 72 1.635 -11.190 -5.384 1.00 0.00 C ATOM 1025 CG PRO A 72 1.522 -10.851 -6.830 1.00 0.00 C ATOM 1026 CD PRO A 72 2.927 -10.613 -7.310 1.00 0.00 C ATOM 0 HA PRO A 72 3.478 -11.771 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.801 -11.811 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.626 -10.293 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.052 -11.662 -7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.904 -9.965 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.054 -10.919 -8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.198 -9.559 -7.253 1.00 0.00 H new ATOM 1034 N THR A 73 2.747 -14.093 -4.174 1.00 0.00 N ATOM 1035 CA THR A 73 2.544 -15.535 -4.106 1.00 0.00 C ATOM 1036 C THR A 73 1.361 -15.882 -3.210 1.00 0.00 C ATOM 1037 O THR A 73 0.816 -16.983 -3.284 1.00 0.00 O ATOM 1038 CB THR A 73 3.801 -16.254 -3.580 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.119 -15.786 -2.265 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.985 -16.022 -4.507 1.00 0.00 C ATOM 0 H THR A 73 2.890 -13.644 -3.269 1.00 0.00 H new ATOM 0 HA THR A 73 2.338 -15.874 -5.121 1.00 0.00 H new ATOM 0 HB THR A 73 3.593 -17.323 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.918 -16.249 -1.937 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.861 -16.539 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.751 -16.406 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.193 -14.954 -4.571 1.00 0.00 H new ATOM 1048 N VAL A 74 0.968 -14.935 -2.363 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.152 -15.141 -1.453 1.00 0.00 C ATOM 1050 C VAL A 74 -1.121 -13.965 -1.501 1.00 0.00 C ATOM 1051 O VAL A 74 -0.733 -12.803 -1.379 1.00 0.00 O ATOM 1052 CB VAL A 74 0.330 -15.336 -0.004 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.838 -15.240 0.966 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.048 -16.669 0.144 1.00 0.00 C ATOM 0 H VAL A 74 1.409 -14.018 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.665 -16.045 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 74 1.036 -14.540 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.477 -15.380 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.304 -14.259 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.571 -16.012 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.382 -16.790 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.367 -17.480 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.911 -16.694 -0.522 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.415 -14.271 -1.682 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.467 -13.253 -1.749 1.00 0.00 C ATOM 1066 C PRO A 75 -3.713 -12.584 -0.401 1.00 0.00 C ATOM 1067 O PRO A 75 -3.483 -13.181 0.651 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.701 -14.047 -2.185 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.436 -15.440 -1.728 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.949 -15.635 -1.835 1.00 0.00 C ATOM 0 HA PRO A 75 -3.205 -12.440 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.609 -13.648 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.838 -14.004 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.776 -15.586 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.970 -16.162 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.574 -16.303 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.669 -16.071 -2.794 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.183 -11.341 -0.439 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.453 -10.612 0.787 1.00 0.00 C ATOM 1080 C GLY A 76 -4.330 -9.112 0.608 1.00 0.00 C ATOM 1081 O GLY A 76 -4.909 -8.540 -0.316 1.00 0.00 O ATOM 0 H GLY A 76 -4.382 -10.826 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.458 -10.852 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.760 -10.940 1.562 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.575 -8.471 1.495 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.379 -7.028 1.431 1.00 0.00 C ATOM 1087 C VAL A 77 -1.898 -6.671 1.508 1.00 0.00 C ATOM 1088 O VAL A 77 -1.231 -6.958 2.502 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.129 -6.309 2.568 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.932 -4.804 2.469 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.608 -6.665 2.538 1.00 0.00 C ATOM 0 H VAL A 77 -3.089 -8.929 2.266 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.781 -6.696 0.474 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.717 -6.643 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.469 -4.313 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.870 -4.570 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.316 -4.449 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.123 -6.149 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.036 -6.360 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.726 -7.742 2.661 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.392 -6.042 0.453 1.00 0.00 N ATOM 1102 CA TYR A 78 0.011 -5.647 0.400 1.00 0.00 C ATOM 1103 C TYR A 78 0.158 -4.137 0.560 1.00 0.00 C ATOM 1104 O TYR A 78 -0.459 -3.361 -0.171 1.00 0.00 O ATOM 1105 CB TYR A 78 0.639 -6.095 -0.921 1.00 0.00 C ATOM 1106 CG TYR A 78 0.887 -7.584 -0.999 1.00 0.00 C ATOM 1107 CD1 TYR A 78 2.090 -8.132 -0.572 1.00 0.00 C ATOM 1108 CD2 TYR A 78 -0.083 -8.444 -1.500 1.00 0.00 C ATOM 1109 CE1 TYR A 78 2.321 -9.492 -0.643 1.00 0.00 C ATOM 1110 CE2 TYR A 78 0.138 -9.806 -1.573 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.342 -10.325 -1.144 1.00 0.00 C ATOM 1112 OH TYR A 78 1.568 -11.680 -1.215 1.00 0.00 O ATOM 0 H TYR A 78 -1.932 -5.795 -0.376 1.00 0.00 H new ATOM 0 HA TYR A 78 0.531 -6.134 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.014 -5.800 -1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.584 -5.570 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.858 -7.483 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.026 -8.041 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.263 -9.901 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.627 -10.460 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 78 0.757 -12.131 -1.530 1.00 0.00 H new ATOM 1122 N ILE A 79 0.979 -3.728 1.521 1.00 0.00 N ATOM 1123 CA ILE A 79 1.209 -2.311 1.777 1.00 0.00 C ATOM 1124 C ILE A 79 2.455 -1.816 1.050 1.00 0.00 C ATOM 1125 O ILE A 79 3.580 -2.075 1.477 1.00 0.00 O ATOM 1126 CB ILE A 79 1.361 -2.028 3.283 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.131 -2.526 4.044 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.574 -0.541 3.524 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.176 -2.005 3.488 1.00 0.00 C ATOM 0 H ILE A 79 1.496 -4.357 2.135 1.00 0.00 H new ATOM 0 HA ILE A 79 0.336 -1.777 1.402 1.00 0.00 H new ATOM 0 HB ILE A 79 2.235 -2.564 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.117 -3.616 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.216 -2.229 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.680 -0.357 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.477 -0.215 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.718 0.016 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.005 -2.399 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.183 -0.916 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.283 -2.324 2.451 1.00 0.00 H new ATOM 1141 N VAL A 80 2.246 -1.102 -0.052 1.00 0.00 N ATOM 1142 CA VAL A 80 3.352 -0.568 -0.837 1.00 0.00 C ATOM 1143 C VAL A 80 3.798 0.790 -0.306 1.00 0.00 C ATOM 1144 O VAL A 80 3.206 1.820 -0.630 1.00 0.00 O ATOM 1145 CB VAL A 80 2.968 -0.425 -2.322 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.080 0.266 -3.097 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.653 -1.786 -2.924 1.00 0.00 C ATOM 0 H VAL A 80 1.321 -0.880 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 80 4.175 -1.277 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 80 2.073 0.193 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.791 0.358 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.252 1.258 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.995 -0.322 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.384 -1.666 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.529 -2.430 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.820 -2.238 -2.385 1.00 0.00 H new ATOM 1157 N SER A 81 4.846 0.784 0.511 1.00 0.00 N ATOM 1158 CA SER A 81 5.371 2.015 1.090 1.00 0.00 C ATOM 1159 C SER A 81 6.237 2.764 0.082 1.00 0.00 C ATOM 1160 O SER A 81 7.407 2.434 -0.115 1.00 0.00 O ATOM 1161 CB SER A 81 6.184 1.706 2.349 1.00 0.00 C ATOM 1162 OG SER A 81 5.335 1.415 3.446 1.00 0.00 O ATOM 0 H SER A 81 5.348 -0.060 0.787 1.00 0.00 H new ATOM 0 HA SER A 81 4.526 2.649 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.844 0.859 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.820 2.557 2.593 1.00 0.00 H new ATOM 0 HG SER A 81 5.879 1.219 4.238 1.00 0.00 H new ATOM 1168 N THR A 82 5.654 3.775 -0.554 1.00 0.00 N ATOM 1169 CA THR A 82 6.371 4.571 -1.542 1.00 0.00 C ATOM 1170 C THR A 82 6.821 5.903 -0.954 1.00 0.00 C ATOM 1171 O THR A 82 6.003 6.782 -0.683 1.00 0.00 O ATOM 1172 CB THR A 82 5.501 4.839 -2.785 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.811 3.644 -3.167 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.353 5.332 -3.946 1.00 0.00 C ATOM 0 H THR A 82 4.687 4.062 -0.402 1.00 0.00 H new ATOM 0 HA THR A 82 7.247 3.994 -1.838 1.00 0.00 H new ATOM 0 HB THR A 82 4.775 5.612 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.259 3.823 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.717 5.514 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.854 6.258 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.099 4.578 -4.196 1.00 0.00 H new ATOM 1182 N LYS A 83 8.128 6.048 -0.760 1.00 0.00 N ATOM 1183 CA LYS A 83 8.688 7.274 -0.205 1.00 0.00 C ATOM 1184 C LYS A 83 9.620 7.948 -1.207 1.00 0.00 C ATOM 1185 O LYS A 83 10.198 7.289 -2.072 1.00 0.00 O ATOM 1186 CB LYS A 83 9.446 6.973 1.090 1.00 0.00 C ATOM 1187 CG LYS A 83 8.580 7.058 2.335 1.00 0.00 C ATOM 1188 CD LYS A 83 9.422 7.209 3.591 1.00 0.00 C ATOM 1189 CE LYS A 83 9.848 5.857 4.142 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.008 5.294 3.396 1.00 0.00 N ATOM 0 H LYS A 83 8.819 5.331 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 83 7.864 7.954 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.877 5.974 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.276 7.673 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.899 7.905 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.965 6.161 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.306 7.807 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.854 7.749 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.109 5.960 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.010 5.162 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.586 4.715 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.663 4.703 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.586 6.070 3.015 1.00 0.00 H new ATOM 1204 N PHE A 84 9.764 9.263 -1.083 1.00 0.00 N ATOM 1205 CA PHE A 84 10.627 10.026 -1.978 1.00 0.00 C ATOM 1206 C PHE A 84 11.273 11.196 -1.243 1.00 0.00 C ATOM 1207 O PHE A 84 10.586 12.095 -0.760 1.00 0.00 O ATOM 1208 CB PHE A 84 9.827 10.541 -3.176 1.00 0.00 C ATOM 1209 CG PHE A 84 10.557 11.575 -3.985 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.401 11.197 -5.017 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.400 12.924 -3.712 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.074 12.146 -5.763 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.070 13.877 -4.455 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.909 13.488 -5.481 1.00 0.00 C ATOM 0 H PHE A 84 9.294 9.823 -0.371 1.00 0.00 H new ATOM 0 HA PHE A 84 11.416 9.363 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.572 9.700 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.888 10.966 -2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.534 10.149 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.747 13.234 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 84 12.728 11.839 -6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.938 14.926 -4.234 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.435 14.232 -6.061 1.00 0.00 H new ATOM 1224 N ALA A 85 12.600 11.176 -1.163 1.00 0.00 N ATOM 1225 CA ALA A 85 13.340 12.236 -0.489 1.00 0.00 C ATOM 1226 C ALA A 85 12.871 12.401 0.953 1.00 0.00 C ATOM 1227 O ALA A 85 12.701 13.521 1.435 1.00 0.00 O ATOM 1228 CB ALA A 85 13.195 13.546 -1.247 1.00 0.00 C ATOM 0 H ALA A 85 13.184 10.438 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 85 14.393 11.955 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.753 14.328 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.586 13.427 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.142 13.824 -1.296 1.00 0.00 H new ATOM 1234 N ASP A 86 12.663 11.281 1.635 1.00 0.00 N ATOM 1235 CA ASP A 86 12.214 11.302 3.022 1.00 0.00 C ATOM 1236 C ASP A 86 10.808 11.885 3.129 1.00 0.00 C ATOM 1237 O ASP A 86 10.522 12.678 4.025 1.00 0.00 O ATOM 1238 CB ASP A 86 13.183 12.115 3.882 1.00 0.00 C ATOM 1239 CG ASP A 86 14.633 11.863 3.516 1.00 0.00 C ATOM 1240 OD1 ASP A 86 14.977 10.699 3.220 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.423 12.830 3.524 1.00 0.00 O ATOM 0 H ASP A 86 12.798 10.346 1.250 1.00 0.00 H new ATOM 0 HA ASP A 86 12.191 10.275 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.962 13.176 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.028 11.867 4.932 1.00 0.00 H new ATOM 1246 N GLU A 87 9.936 11.486 2.208 1.00 0.00 N ATOM 1247 CA GLU A 87 8.561 11.971 2.199 1.00 0.00 C ATOM 1248 C GLU A 87 7.650 11.009 1.443 1.00 0.00 C ATOM 1249 O GLU A 87 7.897 10.686 0.281 1.00 0.00 O ATOM 1250 CB GLU A 87 8.492 13.362 1.564 1.00 0.00 C ATOM 1251 CG GLU A 87 8.865 14.485 2.516 1.00 0.00 C ATOM 1252 CD GLU A 87 8.526 15.856 1.963 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.348 16.082 1.616 1.00 0.00 O ATOM 1254 OE2 GLU A 87 9.441 16.702 1.876 1.00 0.00 O ATOM 0 H GLU A 87 10.157 10.829 1.460 1.00 0.00 H new ATOM 0 HA GLU A 87 8.218 12.033 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.158 13.392 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.482 13.533 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.345 14.341 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.933 14.437 2.728 1.00 0.00 H new ATOM 1261 N HIS A 88 6.595 10.553 2.112 1.00 0.00 N ATOM 1262 CA HIS A 88 5.646 9.627 1.504 1.00 0.00 C ATOM 1263 C HIS A 88 4.758 10.345 0.493 1.00 0.00 C ATOM 1264 O HIS A 88 4.221 11.417 0.774 1.00 0.00 O ATOM 1265 CB HIS A 88 4.783 8.968 2.581 1.00 0.00 C ATOM 1266 CG HIS A 88 5.392 7.728 3.160 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.977 6.458 2.823 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.392 7.570 4.059 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.694 5.571 3.490 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.560 6.220 4.247 1.00 0.00 N ATOM 0 H HIS A 88 6.376 10.810 3.075 1.00 0.00 H new ATOM 0 HA HIS A 88 6.212 8.857 0.981 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.607 9.685 3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.811 8.721 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.953 8.358 4.539 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.590 4.498 3.427 1.00 0.00 H new ATOM 0 HE2 HIS A 88 7.243 5.789 4.870 1.00 0.00 H new ATOM 1279 N VAL A 89 4.608 9.748 -0.685 1.00 0.00 N ATOM 1280 CA VAL A 89 3.785 10.331 -1.739 1.00 0.00 C ATOM 1281 C VAL A 89 2.417 10.738 -1.204 1.00 0.00 C ATOM 1282 O VAL A 89 1.942 10.228 -0.189 1.00 0.00 O ATOM 1283 CB VAL A 89 3.595 9.349 -2.910 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.787 9.407 -3.854 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.384 7.935 -2.391 1.00 0.00 C ATOM 0 H VAL A 89 5.046 8.861 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 89 4.310 11.216 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 89 2.706 9.643 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.635 8.707 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.887 10.417 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.694 9.139 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.251 7.255 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.253 7.628 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.496 7.908 -1.759 1.00 0.00 H new ATOM 1295 N PRO A 90 1.765 11.680 -1.903 1.00 0.00 N ATOM 1296 CA PRO A 90 0.441 12.176 -1.519 1.00 0.00 C ATOM 1297 C PRO A 90 -0.651 11.132 -1.721 1.00 0.00 C ATOM 1298 O PRO A 90 -1.333 11.122 -2.745 1.00 0.00 O ATOM 1299 CB PRO A 90 0.222 13.367 -2.456 1.00 0.00 C ATOM 1300 CG PRO A 90 1.072 13.074 -3.644 1.00 0.00 C ATOM 1301 CD PRO A 90 2.271 12.332 -3.123 1.00 0.00 C ATOM 0 HA PRO A 90 0.395 12.434 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.827 13.464 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.514 14.304 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.529 12.474 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.371 13.994 -4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.638 11.603 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.098 13.008 -2.904 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.812 10.252 -0.737 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.824 9.215 -0.827 1.00 0.00 C ATOM 1311 C GLY A 91 -1.370 7.908 -0.208 1.00 0.00 C ATOM 1312 O GLY A 91 -2.146 6.957 -0.110 1.00 0.00 O ATOM 0 H GLY A 91 -0.260 10.239 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.732 9.554 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.078 9.049 -1.874 1.00 0.00 H new ATOM 1316 N SER A 92 -0.109 7.858 0.209 1.00 0.00 N ATOM 1317 CA SER A 92 0.449 6.655 0.816 1.00 0.00 C ATOM 1318 C SER A 92 -0.018 6.509 2.261 1.00 0.00 C ATOM 1319 O SER A 92 -0.469 7.464 2.894 1.00 0.00 O ATOM 1320 CB SER A 92 1.977 6.693 0.763 1.00 0.00 C ATOM 1321 OG SER A 92 2.463 6.061 -0.408 1.00 0.00 O ATOM 0 H SER A 92 0.546 8.637 0.138 1.00 0.00 H new ATOM 0 HA SER A 92 0.095 5.794 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.319 7.728 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.387 6.198 1.644 1.00 0.00 H new ATOM 0 HG SER A 92 1.788 6.120 -1.116 1.00 0.00 H new ATOM 1327 N PRO A 93 0.092 5.284 2.797 1.00 0.00 N ATOM 1328 CA PRO A 93 0.626 4.140 2.053 1.00 0.00 C ATOM 1329 C PRO A 93 -0.314 3.678 0.945 1.00 0.00 C ATOM 1330 O PRO A 93 -1.459 4.123 0.863 1.00 0.00 O ATOM 1331 CB PRO A 93 0.766 3.055 3.123 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.234 3.420 4.165 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.298 4.922 4.170 1.00 0.00 C ATOM 0 HA PRO A 93 1.561 4.383 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.566 2.065 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.775 3.032 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.209 2.989 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.064 3.039 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.298 5.281 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.381 5.351 4.907 1.00 0.00 H new ATOM 1341 N PHE A 94 0.176 2.783 0.094 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.621 2.261 -1.010 1.00 0.00 C ATOM 1343 C PHE A 94 -1.137 0.860 -0.693 1.00 0.00 C ATOM 1344 O PHE A 94 -0.382 -0.112 -0.711 1.00 0.00 O ATOM 1345 CB PHE A 94 0.207 2.232 -2.296 1.00 0.00 C ATOM 1346 CG PHE A 94 0.192 3.533 -3.047 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.460 4.727 -2.397 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.091 3.562 -4.403 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.448 5.925 -3.085 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.104 4.757 -5.097 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.164 5.941 -4.437 1.00 0.00 C ATOM 0 H PHE A 94 1.121 2.404 0.148 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.476 2.922 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.237 1.975 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.172 1.442 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.681 4.721 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.304 2.640 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.660 6.848 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.323 4.765 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.152 6.876 -4.977 1.00 0.00 H new ATOM 1361 N THR A 95 -2.431 0.764 -0.402 1.00 0.00 N ATOM 1362 CA THR A 95 -3.049 -0.515 -0.079 1.00 0.00 C ATOM 1363 C THR A 95 -3.480 -1.252 -1.342 1.00 0.00 C ATOM 1364 O THR A 95 -4.451 -0.869 -1.995 1.00 0.00 O ATOM 1365 CB THR A 95 -4.273 -0.333 0.839 1.00 0.00 C ATOM 1366 OG1 THR A 95 -3.977 0.619 1.867 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.680 -1.657 1.468 1.00 0.00 C ATOM 0 H THR A 95 -3.071 1.558 -0.384 1.00 0.00 H new ATOM 0 HA THR A 95 -2.297 -1.105 0.444 1.00 0.00 H new ATOM 0 HB THR A 95 -5.102 0.033 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.760 0.730 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.546 -1.503 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.933 -2.370 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.853 -2.048 2.060 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.753 -2.312 -1.681 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.062 -3.104 -2.865 1.00 0.00 C ATOM 1377 C VAL A 96 -3.738 -4.417 -2.488 1.00 0.00 C ATOM 1378 O VAL A 96 -3.145 -5.265 -1.822 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.793 -3.409 -3.683 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.133 -4.252 -4.903 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.101 -2.118 -4.093 1.00 0.00 C ATOM 0 H VAL A 96 -1.946 -2.642 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.744 -2.510 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.107 -3.980 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.224 -4.457 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.581 -5.193 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.838 -3.711 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.206 -2.352 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.779 -1.519 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.821 -1.556 -3.202 1.00 0.00 H new ATOM 1391 N LYS A 97 -4.985 -4.579 -2.918 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.744 -5.790 -2.628 1.00 0.00 C ATOM 1393 C LYS A 97 -5.543 -6.833 -3.722 1.00 0.00 C ATOM 1394 O LYS A 97 -5.779 -6.563 -4.900 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.232 -5.462 -2.487 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.608 -4.915 -1.121 1.00 0.00 C ATOM 1397 CD LYS A 97 -7.373 -3.416 -1.037 1.00 0.00 C ATOM 1398 CE LYS A 97 -8.302 -2.762 -0.025 1.00 0.00 C ATOM 1399 NZ LYS A 97 -9.710 -2.726 -0.508 1.00 0.00 N ATOM 0 H LYS A 97 -5.492 -3.886 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.379 -6.202 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.509 -4.734 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.814 -6.363 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.657 -5.132 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.023 -5.420 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.337 -3.224 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.528 -2.967 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.255 -3.308 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.961 -1.747 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.239 -2.001 0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.723 -2.497 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.153 -3.655 -0.357 1.00 0.00 H new ATOM 1413 N ILE A 98 -5.109 -8.025 -3.325 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.880 -9.108 -4.273 1.00 0.00 C ATOM 1415 C ILE A 98 -5.995 -10.146 -4.201 1.00 0.00 C ATOM 1416 O ILE A 98 -6.371 -10.594 -3.118 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.530 -9.804 -4.017 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.382 -8.799 -4.144 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.338 -10.960 -4.986 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.276 -8.174 -5.518 1.00 0.00 C ATOM 0 H ILE A 98 -4.909 -8.265 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.866 -8.660 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.530 -10.202 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.517 -8.010 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.443 -9.300 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.380 -11.442 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.142 -11.684 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.355 -10.584 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.442 -7.473 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.110 -8.954 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.200 -7.644 -5.749 1.00 0.00 H new ATOM 1432 N SER A 99 -6.519 -10.526 -5.362 1.00 0.00 N ATOM 1433 CA SER A 99 -7.593 -11.510 -5.431 1.00 0.00 C ATOM 1434 C SER A 99 -7.049 -12.922 -5.234 1.00 0.00 C ATOM 1435 O SER A 99 -7.307 -13.562 -4.216 1.00 0.00 O ATOM 1436 CB SER A 99 -8.316 -11.413 -6.775 1.00 0.00 C ATOM 1437 OG SER A 99 -9.349 -12.378 -6.870 1.00 0.00 O ATOM 0 H SER A 99 -6.217 -10.167 -6.268 1.00 0.00 H new ATOM 0 HA SER A 99 -8.300 -11.297 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.735 -10.414 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.603 -11.558 -7.586 1.00 0.00 H new ATOM 0 HG SER A 99 -9.797 -12.294 -7.738 1.00 0.00 H new