USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 515 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 26 CYS SG : rot 119:sc= -0.738 USER MOD Set 1.2: A 28 CYS SG : rot -170:sc= 1.4 USER MOD Set 1.3: A 53 CYS SG : rot -174:sc= -1.78 USER MOD Set 1.4: A 58 CYS SG : rot 113:sc= -0.221 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0544 USER MOD Set 3.1: A 8 CYS SG : rot -143:sc= -0.119 USER MOD Set 3.2: A 11 CYS SG : rot -128:sc= 0.172 USER MOD Set 3.3: A 15 TYR OH : rot 30:sc= -0.257 USER MOD Set 3.4: A 31 CYS SG : rot -42:sc= -0.885 USER MOD Set 3.5: A 34 CYS SG : rot 67:sc= 0.605 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -123:sc= -5.5! (180deg=-11.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0468 K(o=-0.047,f=-0.68) USER MOD Single : A 27 GLN : amide:sc= -4.96 K(o=-5,f=-5.9!) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0908) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -91:sc= -2.38! USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.613 (180deg=-1.94!) USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.609 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0588 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00437 X(o=-0.0044,f=-0.076) USER MOD Single : A 65 GLN : amide:sc= -16.3! C(o=-16!,f=-7.1!) USER MOD Single : A 67 ASN : amide:sc= -0.537 K(o=-0.54,f=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -120:sc= -0.751 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.274 -5.596 1.154 1.00 0.00 N ATOM 92 CA SER A 7 -14.336 -4.154 1.358 1.00 0.00 C ATOM 93 C SER A 7 -13.120 -3.466 0.746 1.00 0.00 C ATOM 94 O SER A 7 -13.253 -2.519 -0.031 1.00 0.00 O ATOM 95 CB SER A 7 -14.421 -3.832 2.851 1.00 0.00 C ATOM 96 OG SER A 7 -15.733 -3.440 3.214 1.00 0.00 O ATOM 0 HA SER A 7 -15.231 -3.780 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.125 -4.705 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.719 -3.034 3.095 1.00 0.00 H new ATOM 0 HG SER A 7 -15.761 -3.241 4.173 1.00 0.00 H new ATOM 102 N CYS A 8 -11.934 -3.947 1.102 1.00 0.00 N ATOM 103 CA CYS A 8 -10.693 -3.379 0.591 1.00 0.00 C ATOM 104 C CYS A 8 -10.523 -3.693 -0.894 1.00 0.00 C ATOM 105 O CYS A 8 -11.065 -4.676 -1.398 1.00 0.00 O ATOM 106 CB CYS A 8 -9.497 -3.921 1.377 1.00 0.00 C ATOM 107 SG CYS A 8 -7.931 -3.054 1.040 1.00 0.00 S ATOM 0 H CYS A 8 -11.806 -4.730 1.743 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.740 -2.297 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.715 -3.853 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.372 -4.978 1.144 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.952 -3.909 1.045 1.00 0.00 H new ATOM 112 N LYS A 9 -9.766 -2.849 -1.587 1.00 0.00 N ATOM 113 CA LYS A 9 -9.522 -3.034 -3.013 1.00 0.00 C ATOM 114 C LYS A 9 -8.028 -3.002 -3.318 1.00 0.00 C ATOM 115 O LYS A 9 -7.608 -2.497 -4.360 1.00 0.00 O ATOM 116 CB LYS A 9 -10.243 -1.952 -3.819 1.00 0.00 C ATOM 117 CG LYS A 9 -11.515 -1.449 -3.161 1.00 0.00 C ATOM 118 CD LYS A 9 -12.598 -1.164 -4.189 1.00 0.00 C ATOM 119 CE LYS A 9 -13.385 0.090 -3.835 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.302 0.497 -4.936 1.00 0.00 N ATOM 0 H LYS A 9 -9.311 -2.030 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.912 -4.011 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.566 -1.112 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.486 -2.347 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.875 -2.191 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.300 -0.542 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.145 -1.045 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.276 -2.015 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.963 -0.087 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.693 0.904 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.820 1.355 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.749 0.691 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.978 -0.270 -5.126 1.00 0.00 H new ATOM 134 N LEU A 10 -7.230 -3.544 -2.404 1.00 0.00 N ATOM 135 CA LEU A 10 -5.782 -3.578 -2.577 1.00 0.00 C ATOM 136 C LEU A 10 -5.238 -4.983 -2.339 1.00 0.00 C ATOM 137 O LEU A 10 -4.257 -5.393 -2.958 1.00 0.00 O ATOM 138 CB LEU A 10 -5.111 -2.591 -1.620 1.00 0.00 C ATOM 139 CG LEU A 10 -5.305 -1.107 -1.942 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.142 -0.264 -0.687 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.323 -0.663 -3.016 1.00 0.00 C ATOM 0 H LEU A 10 -7.561 -3.966 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.557 -3.290 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.489 -2.777 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.042 -2.802 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.317 -0.965 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.283 0.788 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.884 -0.565 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.142 -0.410 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.475 0.394 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.303 -0.819 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.487 -1.246 -3.922 1.00 0.00 H new ATOM 153 N CYS A 11 -5.884 -5.716 -1.438 1.00 0.00 N ATOM 154 CA CYS A 11 -5.467 -7.076 -1.119 1.00 0.00 C ATOM 155 C CYS A 11 -6.525 -8.086 -1.553 1.00 0.00 C ATOM 156 O CYS A 11 -6.243 -9.276 -1.699 1.00 0.00 O ATOM 157 CB CYS A 11 -5.203 -7.212 0.382 1.00 0.00 C ATOM 158 SG CYS A 11 -6.613 -6.731 1.432 1.00 0.00 S ATOM 0 H CYS A 11 -6.698 -5.391 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.546 -7.284 -1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.937 -8.246 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.342 -6.598 0.646 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.216 -5.876 2.327 1.00 0.00 H new ATOM 163 N LEU A 12 -7.747 -7.604 -1.760 1.00 0.00 N ATOM 164 CA LEU A 12 -8.848 -8.463 -2.178 1.00 0.00 C ATOM 165 C LEU A 12 -9.169 -9.500 -1.106 1.00 0.00 C ATOM 166 O LEU A 12 -9.092 -10.703 -1.349 1.00 0.00 O ATOM 167 CB LEU A 12 -8.504 -9.163 -3.494 1.00 0.00 C ATOM 168 CG LEU A 12 -7.651 -8.360 -4.477 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.079 -9.270 -5.553 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.471 -7.242 -5.103 1.00 0.00 C ATOM 0 H LEU A 12 -7.999 -6.622 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.728 -7.837 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.981 -10.091 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.435 -9.437 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.822 -7.913 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.475 -8.682 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.458 -10.036 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.894 -9.745 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.849 -6.681 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.320 -7.669 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.833 -6.574 -4.321 1.00 0.00 H new ATOM 182 N GLY A 13 -9.528 -9.023 0.082 1.00 0.00 N ATOM 183 CA GLY A 13 -9.858 -9.922 1.173 1.00 0.00 C ATOM 184 C GLY A 13 -11.254 -9.690 1.715 1.00 0.00 C ATOM 185 O GLY A 13 -12.050 -8.974 1.108 1.00 0.00 O ATOM 0 H GLY A 13 -9.596 -8.031 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.772 -10.953 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.134 -9.793 1.977 1.00 0.00 H new ATOM 189 N GLU A 14 -11.552 -10.300 2.858 1.00 0.00 N ATOM 190 CA GLU A 14 -12.865 -10.158 3.479 1.00 0.00 C ATOM 191 C GLU A 14 -12.734 -9.682 4.923 1.00 0.00 C ATOM 192 O GLU A 14 -12.296 -10.430 5.797 1.00 0.00 O ATOM 193 CB GLU A 14 -13.621 -11.487 3.434 1.00 0.00 C ATOM 194 CG GLU A 14 -13.308 -12.324 2.206 1.00 0.00 C ATOM 195 CD GLU A 14 -13.811 -13.750 2.328 1.00 0.00 C ATOM 196 OE1 GLU A 14 -14.140 -14.167 3.457 1.00 0.00 O ATOM 197 OE2 GLU A 14 -13.877 -14.446 1.293 1.00 0.00 O ATOM 0 H GLU A 14 -10.904 -10.896 3.372 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.426 -9.411 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.379 -12.063 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.692 -11.287 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.757 -11.858 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.230 -12.335 2.044 1.00 0.00 H new ATOM 204 N TYR A 15 -13.117 -8.434 5.165 1.00 0.00 N ATOM 205 CA TYR A 15 -13.041 -7.856 6.502 1.00 0.00 C ATOM 206 C TYR A 15 -14.144 -6.824 6.713 1.00 0.00 C ATOM 207 O TYR A 15 -14.649 -6.215 5.770 1.00 0.00 O ATOM 208 CB TYR A 15 -11.673 -7.208 6.723 1.00 0.00 C ATOM 209 CG TYR A 15 -10.563 -7.844 5.916 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.965 -9.027 6.334 1.00 0.00 C ATOM 211 CD2 TYR A 15 -10.113 -7.263 4.738 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.951 -9.613 5.601 1.00 0.00 C ATOM 213 CE2 TYR A 15 -9.100 -7.842 3.997 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.522 -9.016 4.433 1.00 0.00 C ATOM 215 OH TYR A 15 -7.513 -9.596 3.699 1.00 0.00 O ATOM 0 H TYR A 15 -13.483 -7.802 4.453 1.00 0.00 H new ATOM 0 HA TYR A 15 -13.177 -8.660 7.226 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.736 -6.150 6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.420 -7.266 7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.299 -9.496 7.248 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.562 -6.343 4.395 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.497 -10.532 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.763 -7.378 3.082 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.536 -10.568 3.823 1.00 0.00 H new ATOM 225 N PRO A 16 -14.529 -6.623 7.983 1.00 0.00 N ATOM 226 CA PRO A 16 -15.576 -5.666 8.350 1.00 0.00 C ATOM 227 C PRO A 16 -15.134 -4.219 8.152 1.00 0.00 C ATOM 228 O PRO A 16 -14.126 -3.952 7.498 1.00 0.00 O ATOM 229 CB PRO A 16 -15.814 -5.953 9.834 1.00 0.00 C ATOM 230 CG PRO A 16 -14.534 -6.541 10.317 1.00 0.00 C ATOM 231 CD PRO A 16 -13.970 -7.315 9.157 1.00 0.00 C ATOM 0 HA PRO A 16 -16.466 -5.779 7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.061 -5.042 10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.645 -6.644 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.843 -5.762 10.639 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.703 -7.192 11.175 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.880 -7.297 9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.271 -8.362 9.188 1.00 0.00 H new ATOM 239 N VAL A 17 -15.896 -3.289 8.719 1.00 0.00 N ATOM 240 CA VAL A 17 -15.583 -1.871 8.606 1.00 0.00 C ATOM 241 C VAL A 17 -14.888 -1.359 9.863 1.00 0.00 C ATOM 242 O VAL A 17 -14.483 -0.199 9.931 1.00 0.00 O ATOM 243 CB VAL A 17 -16.851 -1.033 8.357 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.686 -1.646 7.243 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.665 -0.907 9.636 1.00 0.00 C ATOM 0 H VAL A 17 -16.735 -3.493 9.262 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.912 -1.763 7.754 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.549 -0.033 8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.578 -1.040 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.099 -1.680 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -17.980 -2.657 7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.557 -0.312 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.958 -1.899 9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.064 -0.420 10.403 1.00 0.00 H new ATOM 255 N GLU A 18 -14.753 -2.233 10.855 1.00 0.00 N ATOM 256 CA GLU A 18 -14.107 -1.868 12.111 1.00 0.00 C ATOM 257 C GLU A 18 -12.610 -2.160 12.057 1.00 0.00 C ATOM 258 O GLU A 18 -11.848 -1.705 12.909 1.00 0.00 O ATOM 259 CB GLU A 18 -14.744 -2.628 13.276 1.00 0.00 C ATOM 260 CG GLU A 18 -15.435 -1.727 14.285 1.00 0.00 C ATOM 261 CD GLU A 18 -16.377 -2.487 15.198 1.00 0.00 C ATOM 262 OE1 GLU A 18 -17.606 -2.373 15.010 1.00 0.00 O ATOM 263 OE2 GLU A 18 -15.885 -3.196 16.101 1.00 0.00 O ATOM 0 H GLU A 18 -15.082 -3.198 10.814 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.246 -0.798 12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.469 -3.340 12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.974 -3.207 13.786 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.682 -1.219 14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.993 -0.955 13.755 1.00 0.00 H new ATOM 270 N GLN A 19 -12.197 -2.920 11.048 1.00 0.00 N ATOM 271 CA GLN A 19 -10.792 -3.274 10.884 1.00 0.00 C ATOM 272 C GLN A 19 -10.186 -2.553 9.684 1.00 0.00 C ATOM 273 O GLN A 19 -9.225 -3.030 9.081 1.00 0.00 O ATOM 274 CB GLN A 19 -10.640 -4.787 10.714 1.00 0.00 C ATOM 275 CG GLN A 19 -10.683 -5.553 12.027 1.00 0.00 C ATOM 276 CD GLN A 19 -9.877 -6.836 11.980 1.00 0.00 C ATOM 277 OE1 GLN A 19 -8.688 -6.847 12.300 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.522 -7.926 11.582 1.00 0.00 N ATOM 0 H GLN A 19 -12.815 -3.302 10.332 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.258 -2.961 11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.434 -5.153 10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.695 -4.995 10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.302 -4.918 12.827 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.719 -5.788 12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.508 -7.870 11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.032 -8.819 11.532 1.00 0.00 H new ATOM 287 N MET A 20 -10.756 -1.402 9.342 1.00 0.00 N ATOM 288 CA MET A 20 -10.271 -0.615 8.214 1.00 0.00 C ATOM 289 C MET A 20 -10.098 0.849 8.606 1.00 0.00 C ATOM 290 O MET A 20 -10.394 1.239 9.737 1.00 0.00 O ATOM 291 CB MET A 20 -11.238 -0.728 7.033 1.00 0.00 C ATOM 292 CG MET A 20 -11.978 -2.054 6.979 1.00 0.00 C ATOM 293 SD MET A 20 -12.270 -2.617 5.290 1.00 0.00 S ATOM 294 CE MET A 20 -10.590 -2.746 4.682 1.00 0.00 C ATOM 0 H MET A 20 -11.554 -0.994 9.829 1.00 0.00 H new ATOM 0 HA MET A 20 -9.299 -1.010 7.918 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.965 0.082 7.090 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.683 -0.593 6.105 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.403 -2.809 7.515 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.933 -1.954 7.495 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.475 -2.124 3.795 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.897 -2.409 5.453 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.374 -3.784 4.428 1.00 0.00 H new ATOM 304 N THR A 21 -9.617 1.656 7.666 1.00 0.00 N ATOM 305 CA THR A 21 -9.404 3.076 7.914 1.00 0.00 C ATOM 306 C THR A 21 -9.929 3.922 6.760 1.00 0.00 C ATOM 307 O THR A 21 -9.821 3.537 5.595 1.00 0.00 O ATOM 308 CB THR A 21 -7.911 3.391 8.127 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.464 2.830 9.367 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.669 4.893 8.129 1.00 0.00 C ATOM 0 H THR A 21 -9.367 1.350 6.725 1.00 0.00 H new ATOM 0 HA THR A 21 -9.954 3.323 8.822 1.00 0.00 H new ATOM 0 HB THR A 21 -7.349 2.949 7.304 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.514 3.033 9.494 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.608 5.090 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.983 5.313 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.242 5.353 8.934 1.00 0.00 H new ATOM 318 N THR A 22 -10.500 5.076 7.090 1.00 0.00 N ATOM 319 CA THR A 22 -11.043 5.976 6.080 1.00 0.00 C ATOM 320 C THR A 22 -9.936 6.778 5.406 1.00 0.00 C ATOM 321 O THR A 22 -8.921 7.096 6.026 1.00 0.00 O ATOM 322 CB THR A 22 -12.070 6.950 6.689 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.130 6.218 7.312 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.640 7.871 5.622 1.00 0.00 C ATOM 0 H THR A 22 -10.598 5.409 8.049 1.00 0.00 H new ATOM 0 HA THR A 22 -11.541 5.353 5.337 1.00 0.00 H new ATOM 0 HB THR A 22 -11.562 7.558 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.777 6.844 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.363 8.550 6.075 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.833 8.449 5.171 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.134 7.276 4.854 1.00 0.00 H new ATOM 332 N ILE A 23 -10.138 7.103 4.133 1.00 0.00 N ATOM 333 CA ILE A 23 -9.158 7.871 3.375 1.00 0.00 C ATOM 334 C ILE A 23 -8.959 9.257 3.979 1.00 0.00 C ATOM 335 O ILE A 23 -8.053 9.470 4.785 1.00 0.00 O ATOM 336 CB ILE A 23 -9.577 8.020 1.901 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.525 6.665 1.193 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.680 9.027 1.196 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.211 5.938 1.376 1.00 0.00 C ATOM 0 H ILE A 23 -10.972 6.846 3.605 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.219 7.319 3.423 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.603 8.387 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.334 6.037 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.704 6.813 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.988 9.122 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.763 9.996 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.646 8.686 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.245 4.985 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.400 6.546 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.040 5.758 2.437 1.00 0.00 H new ATOM 351 N ALA A 24 -9.813 10.195 3.586 1.00 0.00 N ATOM 352 CA ALA A 24 -9.735 11.560 4.091 1.00 0.00 C ATOM 353 C ALA A 24 -10.505 12.523 3.193 1.00 0.00 C ATOM 354 O ALA A 24 -11.118 13.475 3.673 1.00 0.00 O ATOM 355 CB ALA A 24 -8.281 11.996 4.212 1.00 0.00 C ATOM 0 H ALA A 24 -10.568 10.035 2.919 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.193 11.582 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.238 13.017 4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.758 11.332 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.805 11.951 3.232 1.00 0.00 H new ATOM 361 N GLN A 25 -10.466 12.268 1.890 1.00 0.00 N ATOM 362 CA GLN A 25 -11.158 13.115 0.926 1.00 0.00 C ATOM 363 C GLN A 25 -12.359 12.389 0.327 1.00 0.00 C ATOM 364 O GLN A 25 -13.485 12.881 0.377 1.00 0.00 O ATOM 365 CB GLN A 25 -10.202 13.547 -0.187 1.00 0.00 C ATOM 366 CG GLN A 25 -9.691 14.970 -0.031 1.00 0.00 C ATOM 367 CD GLN A 25 -9.289 15.293 1.394 1.00 0.00 C ATOM 368 OE1 GLN A 25 -10.087 15.813 2.174 1.00 0.00 O ATOM 369 NE2 GLN A 25 -8.044 14.986 1.742 1.00 0.00 N ATOM 0 H GLN A 25 -9.963 11.482 1.477 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.516 14.001 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.352 12.865 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.710 13.455 -1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.834 15.118 -0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.465 15.667 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.416 14.556 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.716 15.181 2.688 1.00 0.00 H new ATOM 378 N CYS A 26 -12.109 11.212 -0.239 1.00 0.00 N ATOM 379 CA CYS A 26 -13.168 10.417 -0.849 1.00 0.00 C ATOM 380 C CYS A 26 -13.941 9.637 0.211 1.00 0.00 C ATOM 381 O CYS A 26 -15.149 9.438 0.090 1.00 0.00 O ATOM 382 CB CYS A 26 -12.580 9.451 -1.880 1.00 0.00 C ATOM 383 SG CYS A 26 -11.353 8.292 -1.197 1.00 0.00 S ATOM 0 H CYS A 26 -11.182 10.788 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.857 11.098 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.391 8.880 -2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.114 10.028 -2.678 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.771 7.072 -1.359 1.00 0.00 H new ATOM 388 N GLN A 27 -13.235 9.199 1.249 1.00 0.00 N ATOM 389 CA GLN A 27 -13.855 8.441 2.329 1.00 0.00 C ATOM 390 C GLN A 27 -14.059 6.985 1.924 1.00 0.00 C ATOM 391 O GLN A 27 -15.118 6.405 2.166 1.00 0.00 O ATOM 392 CB GLN A 27 -15.195 9.068 2.716 1.00 0.00 C ATOM 393 CG GLN A 27 -15.178 10.588 2.717 1.00 0.00 C ATOM 394 CD GLN A 27 -13.919 11.157 3.340 1.00 0.00 C ATOM 395 OE1 GLN A 27 -13.356 12.136 2.847 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.469 10.546 4.429 1.00 0.00 N ATOM 0 H GLN A 27 -12.234 9.356 1.364 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.187 8.469 3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.962 8.722 2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.479 8.715 3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.267 10.949 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.047 10.957 3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.967 9.738 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.625 10.884 4.892 1.00 0.00 H new ATOM 405 N CYS A 28 -13.038 6.398 1.309 1.00 0.00 N ATOM 406 CA CYS A 28 -13.104 5.009 0.870 1.00 0.00 C ATOM 407 C CYS A 28 -12.799 4.059 2.024 1.00 0.00 C ATOM 408 O CYS A 28 -12.646 4.486 3.169 1.00 0.00 O ATOM 409 CB CYS A 28 -12.121 4.767 -0.277 1.00 0.00 C ATOM 410 SG CYS A 28 -12.662 5.451 -1.877 1.00 0.00 S ATOM 0 H CYS A 28 -12.154 6.863 1.103 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.117 4.813 0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.158 5.204 -0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.965 3.694 -0.387 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.878 5.021 -2.820 1.00 0.00 H new ATOM 415 N ILE A 29 -12.714 2.770 1.715 1.00 0.00 N ATOM 416 CA ILE A 29 -12.426 1.760 2.726 1.00 0.00 C ATOM 417 C ILE A 29 -11.215 0.920 2.334 1.00 0.00 C ATOM 418 O ILE A 29 -11.169 0.346 1.246 1.00 0.00 O ATOM 419 CB ILE A 29 -13.632 0.828 2.949 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.857 0.602 4.446 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.418 -0.497 2.234 1.00 0.00 C ATOM 422 CD1 ILE A 29 -15.239 0.079 4.776 1.00 0.00 C ATOM 0 H ILE A 29 -12.840 2.400 0.773 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.212 2.292 3.653 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.521 1.302 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.112 -0.103 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.696 1.541 4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.279 -1.144 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.301 -0.319 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.521 -0.979 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.328 -0.058 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.989 0.794 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.396 -0.876 4.275 1.00 0.00 H new ATOM 434 N PHE A 30 -10.236 0.851 3.230 1.00 0.00 N ATOM 435 CA PHE A 30 -9.024 0.080 2.979 1.00 0.00 C ATOM 436 C PHE A 30 -8.401 -0.395 4.288 1.00 0.00 C ATOM 437 O PHE A 30 -8.281 0.370 5.247 1.00 0.00 O ATOM 438 CB PHE A 30 -8.013 0.918 2.195 1.00 0.00 C ATOM 439 CG PHE A 30 -8.504 1.333 0.837 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.965 2.621 0.616 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.505 0.435 -0.218 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.417 3.006 -0.632 1.00 0.00 C ATOM 443 CE2 PHE A 30 -8.955 0.814 -1.469 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.412 2.101 -1.675 1.00 0.00 C ATOM 0 H PHE A 30 -10.258 1.319 4.136 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.296 -0.794 2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.767 1.810 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.091 0.348 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.971 3.332 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.150 -0.573 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.774 4.013 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.949 0.105 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.765 2.399 -2.651 1.00 0.00 H new ATOM 454 N CYS A 31 -8.003 -1.663 4.323 1.00 0.00 N ATOM 455 CA CYS A 31 -7.393 -2.242 5.514 1.00 0.00 C ATOM 456 C CYS A 31 -6.060 -1.566 5.824 1.00 0.00 C ATOM 457 O CYS A 31 -5.192 -1.452 4.959 1.00 0.00 O ATOM 458 CB CYS A 31 -7.185 -3.746 5.326 1.00 0.00 C ATOM 459 SG CYS A 31 -5.792 -4.171 4.231 1.00 0.00 S ATOM 0 H CYS A 31 -8.092 -2.309 3.539 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.067 -2.079 6.355 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.020 -4.204 6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.098 -4.181 4.920 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.790 -3.375 3.203 1.00 0.00 H new ATOM 464 N THR A 32 -5.905 -1.120 7.067 1.00 0.00 N ATOM 465 CA THR A 32 -4.680 -0.456 7.493 1.00 0.00 C ATOM 466 C THR A 32 -3.463 -1.042 6.785 1.00 0.00 C ATOM 467 O THR A 32 -2.629 -0.307 6.253 1.00 0.00 O ATOM 468 CB THR A 32 -4.477 -0.572 9.016 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.740 -0.471 9.686 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.542 0.515 9.522 1.00 0.00 C ATOM 0 H THR A 32 -6.613 -1.207 7.796 1.00 0.00 H new ATOM 0 HA THR A 32 -4.782 0.596 7.227 1.00 0.00 H new ATOM 0 HB THR A 32 -4.028 -1.542 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.604 -0.547 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.414 0.412 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.574 0.419 9.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.967 1.494 9.299 1.00 0.00 H new ATOM 478 N LEU A 33 -3.367 -2.367 6.782 1.00 0.00 N ATOM 479 CA LEU A 33 -2.251 -3.051 6.138 1.00 0.00 C ATOM 480 C LEU A 33 -1.886 -2.376 4.820 1.00 0.00 C ATOM 481 O LEU A 33 -0.814 -1.784 4.688 1.00 0.00 O ATOM 482 CB LEU A 33 -2.600 -4.520 5.892 1.00 0.00 C ATOM 483 CG LEU A 33 -3.054 -5.315 7.116 1.00 0.00 C ATOM 484 CD1 LEU A 33 -4.109 -6.339 6.727 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.867 -5.995 7.782 1.00 0.00 C ATOM 0 H LEU A 33 -4.048 -2.989 7.218 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.390 -2.995 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.389 -4.565 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.727 -5.014 5.466 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.497 -4.622 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.420 -6.895 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.971 -5.828 6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.693 -7.029 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.210 -6.556 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.394 -6.676 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.146 -5.241 8.098 1.00 0.00 H new ATOM 497 N CYS A 34 -2.784 -2.468 3.845 1.00 0.00 N ATOM 498 CA CYS A 34 -2.559 -1.865 2.537 1.00 0.00 C ATOM 499 C CYS A 34 -2.446 -0.348 2.649 1.00 0.00 C ATOM 500 O CYS A 34 -1.415 0.236 2.312 1.00 0.00 O ATOM 501 CB CYS A 34 -3.694 -2.233 1.580 1.00 0.00 C ATOM 502 SG CYS A 34 -4.079 -4.014 1.533 1.00 0.00 S ATOM 0 H CYS A 34 -3.676 -2.955 3.936 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.620 -2.254 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.591 -1.686 1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.430 -1.903 0.576 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.569 -4.383 2.680 1.00 0.00 H new ATOM 507 N LEU A 35 -3.512 0.285 3.126 1.00 0.00 N ATOM 508 CA LEU A 35 -3.534 1.736 3.284 1.00 0.00 C ATOM 509 C LEU A 35 -2.289 2.222 4.019 1.00 0.00 C ATOM 510 O LEU A 35 -1.941 3.401 3.960 1.00 0.00 O ATOM 511 CB LEU A 35 -4.789 2.167 4.043 1.00 0.00 C ATOM 512 CG LEU A 35 -5.261 3.602 3.801 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.451 3.858 2.314 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.550 3.875 4.560 1.00 0.00 C ATOM 0 H LEU A 35 -4.373 -0.183 3.410 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.546 2.185 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.600 1.489 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.605 2.041 5.110 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.495 4.283 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.787 4.884 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.505 3.705 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.198 3.169 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.870 4.900 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.324 3.186 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.380 3.734 5.627 1.00 0.00 H new ATOM 526 N LYS A 36 -1.620 1.305 4.710 1.00 0.00 N ATOM 527 CA LYS A 36 -0.411 1.638 5.454 1.00 0.00 C ATOM 528 C LYS A 36 0.832 1.423 4.597 1.00 0.00 C ATOM 529 O LYS A 36 1.544 2.373 4.274 1.00 0.00 O ATOM 530 CB LYS A 36 -0.321 0.791 6.724 1.00 0.00 C ATOM 531 CG LYS A 36 0.996 0.946 7.467 1.00 0.00 C ATOM 532 CD LYS A 36 1.828 -0.323 7.397 1.00 0.00 C ATOM 533 CE LYS A 36 3.267 -0.069 7.819 1.00 0.00 C ATOM 534 NZ LYS A 36 3.350 0.506 9.190 1.00 0.00 N ATOM 0 H LYS A 36 -1.895 0.325 4.770 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.462 2.691 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.139 1.063 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.459 -0.258 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.560 1.776 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.799 1.196 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.388 -1.084 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.810 -0.716 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.826 -1.004 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.738 0.612 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.338 0.492 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.004 1.487 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.765 -0.058 9.839 1.00 0.00 H new ATOM 548 N GLN A 37 1.083 0.171 4.231 1.00 0.00 N ATOM 549 CA GLN A 37 2.241 -0.167 3.410 1.00 0.00 C ATOM 550 C GLN A 37 2.354 0.774 2.215 1.00 0.00 C ATOM 551 O GLN A 37 3.420 0.904 1.615 1.00 0.00 O ATOM 552 CB GLN A 37 2.145 -1.615 2.928 1.00 0.00 C ATOM 553 CG GLN A 37 3.382 -2.442 3.234 1.00 0.00 C ATOM 554 CD GLN A 37 3.048 -3.794 3.831 1.00 0.00 C ATOM 555 OE1 GLN A 37 2.861 -4.775 3.110 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.971 -3.855 5.155 1.00 0.00 N ATOM 0 H GLN A 37 0.501 -0.626 4.489 1.00 0.00 H new ATOM 0 HA GLN A 37 3.135 -0.055 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.279 -2.087 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.972 -1.620 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.954 -2.585 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.020 -1.892 3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.133 -3.018 5.714 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.750 -4.739 5.613 1.00 0.00 H new ATOM 565 N TYR A 38 1.248 1.427 1.877 1.00 0.00 N ATOM 566 CA TYR A 38 1.222 2.354 0.751 1.00 0.00 C ATOM 567 C TYR A 38 1.629 3.756 1.192 1.00 0.00 C ATOM 568 O TYR A 38 2.643 4.292 0.743 1.00 0.00 O ATOM 569 CB TYR A 38 -0.171 2.389 0.124 1.00 0.00 C ATOM 570 CG TYR A 38 -0.597 3.766 -0.332 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.697 4.398 0.234 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.102 4.436 -1.329 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.090 5.656 -0.180 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.283 5.695 -1.747 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.379 6.301 -1.170 1.00 0.00 C ATOM 576 OH TYR A 38 -1.766 7.555 -1.586 1.00 0.00 O ATOM 0 H TYR A 38 0.358 1.332 2.366 1.00 0.00 H new ATOM 0 HA TYR A 38 1.938 2.004 0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.193 1.710 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.895 2.015 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.255 3.897 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.960 3.965 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.949 6.132 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.272 6.202 -2.522 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.390 7.472 -2.337 1.00 0.00 H new ATOM 586 N VAL A 39 0.831 4.348 2.076 1.00 0.00 N ATOM 587 CA VAL A 39 1.107 5.688 2.580 1.00 0.00 C ATOM 588 C VAL A 39 2.397 5.714 3.392 1.00 0.00 C ATOM 589 O VAL A 39 3.263 6.558 3.169 1.00 0.00 O ATOM 590 CB VAL A 39 -0.049 6.207 3.455 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.374 6.086 2.718 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.094 5.456 4.778 1.00 0.00 C ATOM 0 H VAL A 39 -0.012 3.920 2.458 1.00 0.00 H new ATOM 0 HA VAL A 39 1.215 6.338 1.712 1.00 0.00 H new ATOM 0 HB VAL A 39 0.125 7.262 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.179 6.458 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.335 6.673 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.559 5.040 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.917 5.835 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.243 4.393 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.846 5.601 5.311 1.00 0.00 H new ATOM 602 N GLU A 40 2.517 4.783 4.333 1.00 0.00 N ATOM 603 CA GLU A 40 3.701 4.701 5.179 1.00 0.00 C ATOM 604 C GLU A 40 4.952 5.107 4.405 1.00 0.00 C ATOM 605 O GLU A 40 5.715 5.970 4.843 1.00 0.00 O ATOM 606 CB GLU A 40 3.867 3.282 5.727 1.00 0.00 C ATOM 607 CG GLU A 40 4.700 3.212 6.996 1.00 0.00 C ATOM 608 CD GLU A 40 5.995 2.447 6.803 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.981 2.766 7.499 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.022 1.530 5.954 1.00 0.00 O ATOM 0 H GLU A 40 1.809 4.075 4.528 1.00 0.00 H new ATOM 0 HA GLU A 40 3.569 5.392 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.881 2.861 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.332 2.659 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.927 4.223 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.116 2.737 7.784 1.00 0.00 H new ATOM 617 N LEU A 41 5.156 4.480 3.252 1.00 0.00 N ATOM 618 CA LEU A 41 6.315 4.775 2.415 1.00 0.00 C ATOM 619 C LEU A 41 6.308 6.235 1.972 1.00 0.00 C ATOM 620 O LEU A 41 7.210 7.002 2.310 1.00 0.00 O ATOM 621 CB LEU A 41 6.331 3.858 1.191 1.00 0.00 C ATOM 622 CG LEU A 41 6.966 2.482 1.392 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.469 2.610 1.583 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.334 1.771 2.580 1.00 0.00 C ATOM 0 H LEU A 41 4.535 3.764 2.875 1.00 0.00 H new ATOM 0 HA LEU A 41 7.214 4.598 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.304 3.716 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.862 4.367 0.387 1.00 0.00 H new ATOM 0 HG LEU A 41 6.784 1.885 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.903 1.620 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.909 3.077 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.673 3.225 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.798 0.793 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.484 2.365 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.266 1.645 2.403 1.00 0.00 H new ATOM 636 N LEU A 42 5.284 6.613 1.214 1.00 0.00 N ATOM 637 CA LEU A 42 5.159 7.981 0.726 1.00 0.00 C ATOM 638 C LEU A 42 5.152 8.975 1.884 1.00 0.00 C ATOM 639 O LEU A 42 6.070 9.784 2.025 1.00 0.00 O ATOM 640 CB LEU A 42 3.879 8.135 -0.099 1.00 0.00 C ATOM 641 CG LEU A 42 3.840 7.374 -1.425 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.413 6.987 -1.776 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.459 8.208 -2.537 1.00 0.00 C ATOM 0 H LEU A 42 4.529 5.991 0.925 1.00 0.00 H new ATOM 0 HA LEU A 42 6.021 8.194 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.036 7.807 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.729 9.195 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 42 4.425 6.461 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.405 6.446 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.005 6.350 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.804 7.886 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.423 7.651 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.902 9.139 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.496 8.433 -2.289 1.00 0.00 H new ATOM 655 N ILE A 43 4.114 8.905 2.710 1.00 0.00 N ATOM 656 CA ILE A 43 3.991 9.796 3.857 1.00 0.00 C ATOM 657 C ILE A 43 5.347 10.039 4.513 1.00 0.00 C ATOM 658 O ILE A 43 5.569 11.074 5.140 1.00 0.00 O ATOM 659 CB ILE A 43 3.019 9.228 4.909 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.854 10.195 5.133 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.751 8.959 6.216 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.758 10.070 4.098 1.00 0.00 C ATOM 0 H ILE A 43 3.347 8.241 2.607 1.00 0.00 H new ATOM 0 HA ILE A 43 3.597 10.741 3.482 1.00 0.00 H new ATOM 0 HB ILE A 43 2.617 8.284 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.431 10.018 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.234 11.217 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.051 8.558 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.549 8.237 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.177 9.889 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.035 10.785 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.167 10.276 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.351 9.059 4.119 1.00 0.00 H new ATOM 674 N LYS A 44 6.251 9.077 4.363 1.00 0.00 N ATOM 675 CA LYS A 44 7.587 9.186 4.936 1.00 0.00 C ATOM 676 C LYS A 44 8.483 10.061 4.066 1.00 0.00 C ATOM 677 O LYS A 44 9.226 10.900 4.572 1.00 0.00 O ATOM 678 CB LYS A 44 8.211 7.798 5.096 1.00 0.00 C ATOM 679 CG LYS A 44 8.347 7.355 6.542 1.00 0.00 C ATOM 680 CD LYS A 44 7.035 7.500 7.296 1.00 0.00 C ATOM 681 CE LYS A 44 6.339 6.159 7.466 1.00 0.00 C ATOM 682 NZ LYS A 44 6.218 5.775 8.900 1.00 0.00 N ATOM 0 H LYS A 44 6.082 8.212 3.849 1.00 0.00 H new ATOM 0 HA LYS A 44 7.497 9.652 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.602 7.071 4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.196 7.796 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.674 6.316 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.118 7.948 7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.224 7.940 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.380 8.186 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.347 6.205 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.896 5.390 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.215 4.738 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.023 6.162 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.331 6.156 9.288 1.00 0.00 H new ATOM 696 N GLU A 45 8.407 9.858 2.754 1.00 0.00 N ATOM 697 CA GLU A 45 9.212 10.629 1.815 1.00 0.00 C ATOM 698 C GLU A 45 8.626 12.024 1.613 1.00 0.00 C ATOM 699 O GLU A 45 9.247 13.027 1.962 1.00 0.00 O ATOM 700 CB GLU A 45 9.302 9.903 0.470 1.00 0.00 C ATOM 701 CG GLU A 45 10.693 9.926 -0.141 1.00 0.00 C ATOM 702 CD GLU A 45 11.387 8.580 -0.063 1.00 0.00 C ATOM 703 OE1 GLU A 45 10.869 7.687 0.640 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.446 8.419 -0.704 1.00 0.00 O ATOM 0 H GLU A 45 7.797 9.167 2.318 1.00 0.00 H new ATOM 0 HA GLU A 45 10.213 10.731 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.990 8.867 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.600 10.360 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.622 10.234 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.299 10.673 0.372 1.00 0.00 H new ATOM 711 N GLY A 46 7.424 12.079 1.047 1.00 0.00 N ATOM 712 CA GLY A 46 6.773 13.354 0.808 1.00 0.00 C ATOM 713 C GLY A 46 7.462 14.161 -0.275 1.00 0.00 C ATOM 714 O GLY A 46 7.926 15.277 -0.027 1.00 0.00 O ATOM 0 H GLY A 46 6.889 11.263 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.735 13.181 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.758 13.930 1.733 1.00 0.00 H new ATOM 718 N LEU A 47 7.532 13.600 -1.476 1.00 0.00 N ATOM 719 CA LEU A 47 8.170 14.274 -2.600 1.00 0.00 C ATOM 720 C LEU A 47 7.155 15.093 -3.392 1.00 0.00 C ATOM 721 O LEU A 47 7.487 16.137 -3.953 1.00 0.00 O ATOM 722 CB LEU A 47 8.845 13.253 -3.518 1.00 0.00 C ATOM 723 CG LEU A 47 7.986 12.061 -3.940 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.470 11.500 -5.270 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.004 10.983 -2.867 1.00 0.00 C ATOM 0 H LEU A 47 7.154 12.679 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 47 8.926 14.951 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.182 13.769 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.735 12.874 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 47 6.959 12.404 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.847 10.652 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.404 12.272 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.505 11.173 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.387 10.143 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.028 10.643 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.610 11.390 -1.936 1.00 0.00 H new ATOM 737 N GLU A 48 5.916 14.612 -3.432 1.00 0.00 N ATOM 738 CA GLU A 48 4.853 15.300 -4.154 1.00 0.00 C ATOM 739 C GLU A 48 3.672 14.367 -4.404 1.00 0.00 C ATOM 740 O GLU A 48 2.547 14.815 -4.625 1.00 0.00 O ATOM 741 CB GLU A 48 5.378 15.843 -5.484 1.00 0.00 C ATOM 742 CG GLU A 48 6.357 14.910 -6.179 1.00 0.00 C ATOM 743 CD GLU A 48 7.670 15.589 -6.517 1.00 0.00 C ATOM 744 OE1 GLU A 48 8.733 14.990 -6.251 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.635 16.719 -7.047 1.00 0.00 O ATOM 0 H GLU A 48 5.624 13.749 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 48 4.512 16.133 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.535 16.031 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.865 16.802 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.551 14.050 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.903 14.529 -7.094 1.00 0.00 H new ATOM 752 N THR A 49 3.936 13.064 -4.366 1.00 0.00 N ATOM 753 CA THR A 49 2.898 12.068 -4.590 1.00 0.00 C ATOM 754 C THR A 49 1.570 12.512 -3.988 1.00 0.00 C ATOM 755 O THR A 49 0.502 12.148 -4.479 1.00 0.00 O ATOM 756 CB THR A 49 3.289 10.704 -3.988 1.00 0.00 C ATOM 757 OG1 THR A 49 4.548 10.278 -4.520 1.00 0.00 O ATOM 758 CG2 THR A 49 2.226 9.656 -4.286 1.00 0.00 C ATOM 0 H THR A 49 4.861 12.675 -4.182 1.00 0.00 H new ATOM 0 HA THR A 49 2.788 11.964 -5.669 1.00 0.00 H new ATOM 0 HB THR A 49 3.371 10.818 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.434 9.422 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.524 8.702 -3.851 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.275 9.970 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.117 9.545 -5.365 1.00 0.00 H new ATOM 766 N ALA A 50 1.643 13.304 -2.923 1.00 0.00 N ATOM 767 CA ALA A 50 0.446 13.801 -2.256 1.00 0.00 C ATOM 768 C ALA A 50 -0.401 12.652 -1.721 1.00 0.00 C ATOM 769 O ALA A 50 -1.531 12.857 -1.275 1.00 0.00 O ATOM 770 CB ALA A 50 -0.370 14.661 -3.209 1.00 0.00 C ATOM 0 H ALA A 50 2.519 13.615 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 50 0.759 14.412 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.261 15.026 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.231 15.508 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.665 14.066 -4.073 1.00 0.00 H new ATOM 776 N ILE A 51 0.149 11.444 -1.769 1.00 0.00 N ATOM 777 CA ILE A 51 -0.557 10.263 -1.289 1.00 0.00 C ATOM 778 C ILE A 51 -2.040 10.329 -1.638 1.00 0.00 C ATOM 779 O ILE A 51 -2.855 10.796 -0.842 1.00 0.00 O ATOM 780 CB ILE A 51 -0.406 10.098 0.235 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.062 9.876 0.602 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.262 8.940 0.730 1.00 0.00 C ATOM 783 CD1 ILE A 51 1.986 10.952 0.075 1.00 0.00 C ATOM 0 H ILE A 51 1.082 11.257 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.108 9.403 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.749 11.012 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.154 9.829 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.383 8.910 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.145 8.836 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.309 9.135 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.946 8.019 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.011 10.730 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.924 10.985 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.690 11.918 0.484 1.00 0.00 H new ATOM 795 N SER A 52 -2.384 9.858 -2.832 1.00 0.00 N ATOM 796 CA SER A 52 -3.769 9.866 -3.287 1.00 0.00 C ATOM 797 C SER A 52 -4.407 8.491 -3.109 1.00 0.00 C ATOM 798 O SER A 52 -3.715 7.474 -3.067 1.00 0.00 O ATOM 799 CB SER A 52 -3.843 10.289 -4.756 1.00 0.00 C ATOM 800 OG SER A 52 -5.137 10.060 -5.287 1.00 0.00 O ATOM 0 H SER A 52 -1.722 9.466 -3.502 1.00 0.00 H new ATOM 0 HA SER A 52 -4.321 10.585 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.591 11.346 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.105 9.734 -5.335 1.00 0.00 H new ATOM 0 HG SER A 52 -5.160 10.340 -6.226 1.00 0.00 H new ATOM 806 N CYS A 53 -5.731 8.470 -3.005 1.00 0.00 N ATOM 807 CA CYS A 53 -6.466 7.223 -2.831 1.00 0.00 C ATOM 808 C CYS A 53 -5.787 6.083 -3.586 1.00 0.00 C ATOM 809 O CYS A 53 -5.369 6.229 -4.735 1.00 0.00 O ATOM 810 CB CYS A 53 -7.908 7.383 -3.316 1.00 0.00 C ATOM 811 SG CYS A 53 -8.922 5.880 -3.143 1.00 0.00 S ATOM 0 H CYS A 53 -6.318 9.304 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.473 6.980 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.380 8.193 -2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.896 7.682 -4.364 1.00 0.00 H new ATOM 0 HG CYS A 53 -10.083 6.074 -3.694 1.00 0.00 H new ATOM 816 N PRO A 54 -5.677 4.920 -2.927 1.00 0.00 N ATOM 817 CA PRO A 54 -5.052 3.733 -3.517 1.00 0.00 C ATOM 818 C PRO A 54 -5.893 3.130 -4.637 1.00 0.00 C ATOM 819 O PRO A 54 -5.541 2.095 -5.203 1.00 0.00 O ATOM 820 CB PRO A 54 -4.956 2.760 -2.338 1.00 0.00 C ATOM 821 CG PRO A 54 -6.042 3.182 -1.410 1.00 0.00 C ATOM 822 CD PRO A 54 -6.155 4.675 -1.556 1.00 0.00 C ATOM 0 HA PRO A 54 -4.091 3.965 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.092 1.729 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.980 2.816 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.983 2.693 -1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.806 2.907 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.182 5.015 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.546 5.198 -0.819 1.00 0.00 H new ATOM 830 N ASP A 55 -7.005 3.786 -4.953 1.00 0.00 N ATOM 831 CA ASP A 55 -7.896 3.315 -6.008 1.00 0.00 C ATOM 832 C ASP A 55 -7.898 4.281 -7.188 1.00 0.00 C ATOM 833 O ASP A 55 -8.847 5.041 -7.380 1.00 0.00 O ATOM 834 CB ASP A 55 -9.317 3.147 -5.468 1.00 0.00 C ATOM 835 CG ASP A 55 -9.719 1.691 -5.340 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.553 1.380 -4.464 1.00 0.00 O ATOM 837 OD2 ASP A 55 -9.202 0.862 -6.116 1.00 0.00 O ATOM 0 H ASP A 55 -7.311 4.644 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.531 2.348 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.391 3.629 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.017 3.657 -6.130 1.00 0.00 H new ATOM 842 N ALA A 56 -6.828 4.247 -7.976 1.00 0.00 N ATOM 843 CA ALA A 56 -6.708 5.118 -9.138 1.00 0.00 C ATOM 844 C ALA A 56 -8.047 5.272 -9.851 1.00 0.00 C ATOM 845 O ALA A 56 -8.294 6.276 -10.520 1.00 0.00 O ATOM 846 CB ALA A 56 -5.657 4.578 -10.097 1.00 0.00 C ATOM 0 H ALA A 56 -6.032 3.626 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.396 6.103 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.578 5.239 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.694 4.527 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.945 3.581 -10.429 1.00 0.00 H new ATOM 852 N ALA A 57 -8.909 4.271 -9.704 1.00 0.00 N ATOM 853 CA ALA A 57 -10.224 4.297 -10.332 1.00 0.00 C ATOM 854 C ALA A 57 -11.291 4.776 -9.354 1.00 0.00 C ATOM 855 O ALA A 57 -12.390 4.222 -9.297 1.00 0.00 O ATOM 856 CB ALA A 57 -10.579 2.918 -10.869 1.00 0.00 C ATOM 0 H ALA A 57 -8.720 3.432 -9.155 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.188 5.001 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.564 2.952 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.838 2.613 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.590 2.200 -10.049 1.00 0.00 H new ATOM 862 N CYS A 58 -10.961 5.807 -8.584 1.00 0.00 N ATOM 863 CA CYS A 58 -11.890 6.361 -7.607 1.00 0.00 C ATOM 864 C CYS A 58 -12.656 7.543 -8.194 1.00 0.00 C ATOM 865 O CYS A 58 -12.088 8.429 -8.830 1.00 0.00 O ATOM 866 CB CYS A 58 -11.137 6.803 -6.349 1.00 0.00 C ATOM 867 SG CYS A 58 -12.219 7.239 -4.950 1.00 0.00 S ATOM 0 H CYS A 58 -10.056 6.276 -8.618 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.605 5.582 -7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.466 6.002 -6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.514 7.663 -6.595 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.059 6.375 -3.992 1.00 0.00 H new ATOM 872 N PRO A 59 -13.980 7.555 -7.976 1.00 0.00 N ATOM 873 CA PRO A 59 -14.854 8.622 -8.474 1.00 0.00 C ATOM 874 C PRO A 59 -14.624 9.945 -7.752 1.00 0.00 C ATOM 875 O PRO A 59 -15.129 10.987 -8.168 1.00 0.00 O ATOM 876 CB PRO A 59 -16.261 8.092 -8.183 1.00 0.00 C ATOM 877 CG PRO A 59 -16.083 7.151 -7.043 1.00 0.00 C ATOM 878 CD PRO A 59 -14.725 6.530 -7.225 1.00 0.00 C ATOM 0 HA PRO A 59 -14.674 8.838 -9.527 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.944 8.902 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.681 7.586 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.147 7.676 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.863 6.390 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.252 6.310 -6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.783 5.591 -7.775 1.00 0.00 H new ATOM 886 N LYS A 60 -13.856 9.897 -6.668 1.00 0.00 N ATOM 887 CA LYS A 60 -13.557 11.092 -5.888 1.00 0.00 C ATOM 888 C LYS A 60 -12.051 11.292 -5.758 1.00 0.00 C ATOM 889 O LYS A 60 -11.584 12.397 -5.485 1.00 0.00 O ATOM 890 CB LYS A 60 -14.191 10.992 -4.499 1.00 0.00 C ATOM 891 CG LYS A 60 -15.688 10.738 -4.532 1.00 0.00 C ATOM 892 CD LYS A 60 -16.466 12.018 -4.781 1.00 0.00 C ATOM 893 CE LYS A 60 -17.966 11.771 -4.769 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.724 12.972 -4.321 1.00 0.00 N ATOM 0 H LYS A 60 -13.429 9.043 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.977 11.952 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.707 10.188 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.999 11.916 -3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.918 10.014 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.004 10.297 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.211 12.754 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.174 12.441 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.295 11.486 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.191 10.933 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.743 12.762 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.429 13.229 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.530 13.765 -4.965 1.00 0.00 H new ATOM 908 N GLN A 61 -11.296 10.216 -5.956 1.00 0.00 N ATOM 909 CA GLN A 61 -9.841 10.276 -5.861 1.00 0.00 C ATOM 910 C GLN A 61 -9.407 11.242 -4.764 1.00 0.00 C ATOM 911 O GLN A 61 -8.825 12.291 -5.042 1.00 0.00 O ATOM 912 CB GLN A 61 -9.238 10.700 -7.201 1.00 0.00 C ATOM 913 CG GLN A 61 -9.116 9.562 -8.201 1.00 0.00 C ATOM 914 CD GLN A 61 -8.202 9.901 -9.362 1.00 0.00 C ATOM 915 OE1 GLN A 61 -7.258 9.169 -9.658 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.478 11.017 -10.027 1.00 0.00 N ATOM 0 H GLN A 61 -11.667 9.293 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.477 9.281 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.854 11.488 -7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.250 11.127 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.737 8.675 -7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.106 9.312 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.271 11.594 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.897 11.297 -10.817 1.00 0.00 H new ATOM 925 N GLY A 62 -9.695 10.884 -3.517 1.00 0.00 N ATOM 926 CA GLY A 62 -9.327 11.731 -2.397 1.00 0.00 C ATOM 927 C GLY A 62 -7.870 11.578 -2.009 1.00 0.00 C ATOM 928 O GLY A 62 -7.274 10.519 -2.212 1.00 0.00 O ATOM 0 H GLY A 62 -10.177 10.022 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.524 12.772 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.955 11.488 -1.540 1.00 0.00 H new ATOM 932 N HIS A 63 -7.293 12.636 -1.450 1.00 0.00 N ATOM 933 CA HIS A 63 -5.896 12.615 -1.033 1.00 0.00 C ATOM 934 C HIS A 63 -5.782 12.398 0.472 1.00 0.00 C ATOM 935 O HIS A 63 -6.750 12.578 1.212 1.00 0.00 O ATOM 936 CB HIS A 63 -5.205 13.923 -1.425 1.00 0.00 C ATOM 937 CG HIS A 63 -5.110 14.129 -2.905 1.00 0.00 C ATOM 938 ND1 HIS A 63 -6.159 14.592 -3.669 1.00 0.00 N ATOM 939 CD2 HIS A 63 -4.081 13.934 -3.762 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.781 14.672 -4.933 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.523 14.279 -5.015 1.00 0.00 N ATOM 0 H HIS A 63 -7.772 13.520 -1.275 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.403 11.786 -1.541 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.749 14.758 -0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.202 13.936 -0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.095 13.574 -3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.396 15.002 -5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.969 14.238 -5.871 1.00 0.00 H new ATOM 949 N LEU A 64 -4.593 12.010 0.920 1.00 0.00 N ATOM 950 CA LEU A 64 -4.351 11.766 2.339 1.00 0.00 C ATOM 951 C LEU A 64 -3.468 12.856 2.936 1.00 0.00 C ATOM 952 O LEU A 64 -2.812 13.603 2.210 1.00 0.00 O ATOM 953 CB LEU A 64 -3.697 10.397 2.537 1.00 0.00 C ATOM 954 CG LEU A 64 -4.598 9.183 2.309 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.485 8.940 3.521 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.442 9.372 1.057 1.00 0.00 C ATOM 0 H LEU A 64 -3.781 11.857 0.322 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.312 11.780 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.844 10.323 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.305 10.348 3.553 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.965 8.307 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.119 8.072 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.862 8.758 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.110 9.816 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.077 8.498 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.066 10.259 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.789 9.495 0.193 1.00 0.00 H new ATOM 968 N GLN A 65 -3.456 12.940 4.262 1.00 0.00 N ATOM 969 CA GLN A 65 -2.651 13.938 4.957 1.00 0.00 C ATOM 970 C GLN A 65 -1.271 13.385 5.297 1.00 0.00 C ATOM 971 O GLN A 65 -1.068 12.172 5.320 1.00 0.00 O ATOM 972 CB GLN A 65 -3.359 14.397 6.233 1.00 0.00 C ATOM 973 CG GLN A 65 -4.804 13.934 6.327 1.00 0.00 C ATOM 974 CD GLN A 65 -4.932 12.521 6.858 1.00 0.00 C ATOM 975 OE1 GLN A 65 -5.979 12.132 7.376 1.00 0.00 O ATOM 976 NE2 GLN A 65 -3.864 11.741 6.732 1.00 0.00 N ATOM 0 H GLN A 65 -3.994 12.329 4.877 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.525 14.793 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.810 14.024 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.331 15.486 6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.357 14.613 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.264 13.990 5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.016 12.104 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.892 10.779 7.071 1.00 0.00 H new ATOM 985 N GLU A 66 -0.326 14.283 5.559 1.00 0.00 N ATOM 986 CA GLU A 66 1.034 13.884 5.897 1.00 0.00 C ATOM 987 C GLU A 66 1.200 13.740 7.407 1.00 0.00 C ATOM 988 O GLU A 66 1.959 12.895 7.880 1.00 0.00 O ATOM 989 CB GLU A 66 2.037 14.905 5.357 1.00 0.00 C ATOM 990 CG GLU A 66 2.532 14.590 3.955 1.00 0.00 C ATOM 991 CD GLU A 66 3.788 15.359 3.594 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.189 15.316 2.412 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.370 16.002 4.492 1.00 0.00 O ATOM 0 H GLU A 66 -0.478 15.291 5.543 1.00 0.00 H new ATOM 0 HA GLU A 66 1.227 12.916 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.574 15.892 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.891 14.955 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.729 13.521 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.747 14.824 3.235 1.00 0.00 H new ATOM 1000 N ASN A 67 0.486 14.572 8.157 1.00 0.00 N ATOM 1001 CA ASN A 67 0.554 14.539 9.613 1.00 0.00 C ATOM 1002 C ASN A 67 -0.359 13.453 10.177 1.00 0.00 C ATOM 1003 O ASN A 67 0.072 12.615 10.967 1.00 0.00 O ATOM 1004 CB ASN A 67 0.165 15.899 10.194 1.00 0.00 C ATOM 1005 CG ASN A 67 0.780 16.143 11.559 1.00 0.00 C ATOM 1006 OD1 ASN A 67 1.618 17.029 11.726 1.00 0.00 O ATOM 1007 ND2 ASN A 67 0.365 15.353 12.543 1.00 0.00 N ATOM 0 H ASN A 67 -0.147 15.278 7.780 1.00 0.00 H new ATOM 0 HA ASN A 67 1.581 14.310 9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.481 16.687 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.920 15.961 10.271 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.743 15.468 13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.332 14.631 12.358 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.621 13.476 9.761 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.595 12.494 10.224 1.00 0.00 C ATOM 1016 C GLU A 68 -2.116 11.075 9.934 1.00 0.00 C ATOM 1017 O GLU A 68 -1.878 10.289 10.852 1.00 0.00 O ATOM 1018 CB GLU A 68 -3.952 12.734 9.557 1.00 0.00 C ATOM 1019 CG GLU A 68 -4.992 13.329 10.491 1.00 0.00 C ATOM 1020 CD GLU A 68 -5.782 12.269 11.235 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.157 11.455 11.946 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.025 12.254 11.105 1.00 0.00 O ATOM 0 H GLU A 68 -1.993 14.163 9.105 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.704 12.609 11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.816 13.401 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.327 11.789 9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.498 13.981 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.678 13.951 9.916 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.979 10.754 8.652 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.529 9.430 8.240 1.00 0.00 C ATOM 1031 C ILE A 69 -0.344 8.967 9.081 1.00 0.00 C ATOM 1032 O ILE A 69 -0.437 7.980 9.811 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.128 9.408 6.754 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.376 9.408 5.867 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.260 8.195 6.457 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.303 8.422 4.722 1.00 0.00 C ATOM 0 H ILE A 69 -2.173 11.393 7.881 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.368 8.751 8.391 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.549 10.306 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.247 9.177 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.526 10.410 5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.015 8.194 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.642 8.235 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.814 7.285 6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.220 8.476 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.451 8.665 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.184 7.413 5.118 1.00 0.00 H new ATOM 1048 N GLU A 70 0.768 9.686 8.974 1.00 0.00 N ATOM 1049 CA GLU A 70 1.972 9.348 9.726 1.00 0.00 C ATOM 1050 C GLU A 70 1.658 9.182 11.209 1.00 0.00 C ATOM 1051 O GLU A 70 2.442 8.601 11.960 1.00 0.00 O ATOM 1052 CB GLU A 70 3.038 10.429 9.537 1.00 0.00 C ATOM 1053 CG GLU A 70 2.813 11.662 10.397 1.00 0.00 C ATOM 1054 CD GLU A 70 4.040 12.551 10.473 1.00 0.00 C ATOM 1055 OE1 GLU A 70 5.027 12.261 9.766 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.012 13.536 11.240 1.00 0.00 O ATOM 0 H GLU A 70 0.861 10.506 8.375 1.00 0.00 H new ATOM 0 HA GLU A 70 2.354 8.401 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.016 10.008 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.060 10.727 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.978 12.235 9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.530 11.352 11.403 1.00 0.00 H new ATOM 1063 N CYS A 71 0.505 9.695 11.625 1.00 0.00 N ATOM 1064 CA CYS A 71 0.086 9.604 13.019 1.00 0.00 C ATOM 1065 C CYS A 71 -0.384 8.193 13.356 1.00 0.00 C ATOM 1066 O CYS A 71 -0.218 7.725 14.482 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.032 10.608 13.304 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.082 11.193 15.013 1.00 0.00 S ATOM 0 H CYS A 71 -0.156 10.178 11.017 1.00 0.00 H new ATOM 0 HA CYS A 71 0.946 9.840 13.646 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.913 11.465 12.641 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.990 10.148 13.061 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.059 12.039 15.154 1.00 0.00 H new ATOM 1074 N MET A 72 -0.970 7.519 12.371 1.00 0.00 N ATOM 1075 CA MET A 72 -1.464 6.161 12.563 1.00 0.00 C ATOM 1076 C MET A 72 -0.360 5.140 12.306 1.00 0.00 C ATOM 1077 O MET A 72 -0.600 3.933 12.333 1.00 0.00 O ATOM 1078 CB MET A 72 -2.651 5.891 11.638 1.00 0.00 C ATOM 1079 CG MET A 72 -2.262 5.229 10.326 1.00 0.00 C ATOM 1080 SD MET A 72 -3.662 5.019 9.211 1.00 0.00 S ATOM 1081 CE MET A 72 -3.155 6.042 7.832 1.00 0.00 C ATOM 0 H MET A 72 -1.114 7.892 11.432 1.00 0.00 H new ATOM 0 HA MET A 72 -1.791 6.063 13.598 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.368 5.255 12.157 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.156 6.833 11.424 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.497 5.830 9.833 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.818 4.255 10.533 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.888 6.833 7.677 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.183 6.485 8.046 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.085 5.431 6.932 1.00 0.00 H new ATOM 1091 N VAL A 73 0.849 5.632 12.054 1.00 0.00 N ATOM 1092 CA VAL A 73 1.989 4.762 11.793 1.00 0.00 C ATOM 1093 C VAL A 73 3.238 5.263 12.507 1.00 0.00 C ATOM 1094 O VAL A 73 3.814 4.562 13.338 1.00 0.00 O ATOM 1095 CB VAL A 73 2.280 4.658 10.284 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.302 3.705 9.615 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.224 6.033 9.635 1.00 0.00 C ATOM 0 H VAL A 73 1.064 6.629 12.025 1.00 0.00 H new ATOM 0 HA VAL A 73 1.728 3.775 12.175 1.00 0.00 H new ATOM 0 HB VAL A 73 3.286 4.259 10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.524 3.645 8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.395 2.715 10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.285 4.071 9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.432 5.941 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.232 6.461 9.775 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.968 6.683 10.095 1.00 0.00 H new ATOM 1107 N ALA A 74 3.653 6.482 12.178 1.00 0.00 N ATOM 1108 CA ALA A 74 4.833 7.080 12.790 1.00 0.00 C ATOM 1109 C ALA A 74 4.448 7.981 13.959 1.00 0.00 C ATOM 1110 O ALA A 74 4.910 9.118 14.055 1.00 0.00 O ATOM 1111 CB ALA A 74 5.626 7.863 11.755 1.00 0.00 C ATOM 0 H ALA A 74 3.189 7.075 11.490 1.00 0.00 H new ATOM 0 HA ALA A 74 5.459 6.275 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.504 8.304 12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.941 7.193 10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.001 8.654 11.340 1.00 0.00 H new ATOM 1117 N ALA A 75 3.601 7.466 14.843 1.00 0.00 N ATOM 1118 CA ALA A 75 3.156 8.225 16.005 1.00 0.00 C ATOM 1119 C ALA A 75 4.294 9.057 16.587 1.00 0.00 C ATOM 1120 O ALA A 75 4.053 10.177 17.035 1.00 0.00 O ATOM 1121 CB ALA A 75 2.591 7.288 17.063 1.00 0.00 C ATOM 0 H ALA A 75 3.209 6.527 14.777 1.00 0.00 H new ATOM 0 HA ALA A 75 2.370 8.908 15.682 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.263 7.868 17.925 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.744 6.741 16.650 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.362 6.582 17.373 1.00 0.00 H new