USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 295 ASN : amide:sc= -4.41! C(o=-4.4!,f=-2.9!) USER MOD Single : A 310 CYS SG : rot -173:sc= -0.919! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0.145 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= -0.206 USER MOD Single : A 339 SER OG : rot -66:sc= -0.0952 USER MOD Single : A 342 GLN : amide:sc= -0.541 K(o=-0.54,f=0) USER MOD Single : A 344 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ALA N :NH3+ -121:sc= 0.838 (180deg=-1.27) USER MOD Single : B 3 THR OG1 : rot -10:sc= 0.543! USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= -2.25 (180deg=-2.25) USER MOD Single : B 5 GLN : amide:sc= -0.962 K(o=-0.96,f=0) USER MOD Single : B 6 THR OG1 : rot -160:sc=-0.00933 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot -23:sc= 0.74 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.063) USER MOD Single : B 21 CYS SG : rot 180:sc=-0.00317 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 9.083 -0.605 -9.656 1.00 0.00 N ATOM 2 CA GLY A -2 8.492 -0.650 -11.021 1.00 0.00 C ATOM 3 C GLY A -2 7.039 -1.083 -11.008 1.00 0.00 C ATOM 4 O GLY A -2 6.718 -2.187 -10.567 1.00 0.00 O ATOM 0 H1 GLY A -2 10.077 -0.304 -9.718 1.00 0.00 H new ATOM 0 H2 GLY A -2 8.552 0.071 -9.070 1.00 0.00 H new ATOM 0 H3 GLY A -2 9.034 -1.550 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A -2 8.571 0.335 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A -2 9.068 -1.338 -11.641 1.00 0.00 H new ATOM 10 N SER A -1 6.161 -0.209 -11.495 1.00 0.00 N ATOM 11 CA SER A -1 4.730 -0.498 -11.542 1.00 0.00 C ATOM 12 C SER A -1 4.190 -0.825 -10.153 1.00 0.00 C ATOM 13 O SER A -1 4.153 -1.987 -9.748 1.00 0.00 O ATOM 14 CB SER A -1 4.451 -1.657 -12.502 1.00 0.00 C ATOM 15 OG SER A -1 4.881 -1.346 -13.815 1.00 0.00 O ATOM 0 H SER A -1 6.416 0.707 -11.863 1.00 0.00 H new ATOM 0 HA SER A -1 4.219 0.394 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.961 -2.554 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.384 -1.879 -12.508 1.00 0.00 H new ATOM 0 HG SER A -1 4.693 -2.103 -14.409 1.00 0.00 H new ATOM 21 N LYS A 294 3.772 0.208 -9.430 1.00 0.00 N ATOM 22 CA LYS A 294 3.233 0.038 -8.085 1.00 0.00 C ATOM 23 C LYS A 294 2.204 1.115 -7.767 1.00 0.00 C ATOM 24 O LYS A 294 2.205 1.675 -6.671 1.00 0.00 O ATOM 25 CB LYS A 294 4.359 0.086 -7.050 1.00 0.00 C ATOM 26 CG LYS A 294 5.084 -1.238 -6.876 1.00 0.00 C ATOM 27 CD LYS A 294 4.198 -2.265 -6.196 1.00 0.00 C ATOM 28 CE LYS A 294 4.848 -3.635 -6.163 1.00 0.00 C ATOM 29 NZ LYS A 294 3.931 -4.673 -5.615 1.00 0.00 N ATOM 0 H LYS A 294 3.796 1.175 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 294 2.744 -0.935 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 294 5.080 0.849 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 294 3.945 0.393 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 294 5.399 -1.614 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 294 5.988 -1.086 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 294 3.981 -1.941 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 294 3.245 -2.327 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 294 5.153 -3.916 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 294 5.752 -3.593 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 4.413 -5.594 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 3.659 -4.419 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 3.079 -4.732 -6.208 1.00 0.00 H new ATOM 43 N ASN A 295 1.327 1.402 -8.725 1.00 0.00 N ATOM 44 CA ASN A 295 0.300 2.421 -8.531 1.00 0.00 C ATOM 45 C ASN A 295 0.928 3.721 -8.046 1.00 0.00 C ATOM 46 O ASN A 295 2.137 3.922 -8.173 1.00 0.00 O ATOM 47 CB ASN A 295 -0.742 1.936 -7.519 1.00 0.00 C ATOM 48 CG ASN A 295 -1.717 0.947 -8.127 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.046 1.029 -9.309 1.00 0.00 O ATOM 50 ND2 ASN A 295 -2.182 0.002 -7.318 1.00 0.00 N ATOM 0 H ASN A 295 1.306 0.947 -9.638 1.00 0.00 H new ATOM 0 HA ASN A 295 -0.192 2.603 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.235 1.470 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.292 2.792 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -2.839 -0.694 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -1.882 -0.028 -6.344 1.00 0.00 H new ATOM 57 N GLU A 296 0.109 4.608 -7.498 1.00 0.00 N ATOM 58 CA GLU A 296 0.607 5.872 -6.985 1.00 0.00 C ATOM 59 C GLU A 296 1.197 5.672 -5.594 1.00 0.00 C ATOM 60 O GLU A 296 0.471 5.378 -4.644 1.00 0.00 O ATOM 61 CB GLU A 296 -0.511 6.912 -6.937 1.00 0.00 C ATOM 62 CG GLU A 296 -0.015 8.315 -6.641 1.00 0.00 C ATOM 63 CD GLU A 296 0.837 8.881 -7.759 1.00 0.00 C ATOM 64 OE1 GLU A 296 2.062 8.635 -7.755 1.00 0.00 O ATOM 65 OE2 GLU A 296 0.281 9.572 -8.638 1.00 0.00 O ATOM 0 H GLU A 296 -0.897 4.475 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 296 1.386 6.236 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.037 6.914 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -1.235 6.622 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.870 8.970 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 296 0.564 8.304 -5.718 1.00 0.00 H new ATOM 72 N ASP A 297 2.518 5.803 -5.484 1.00 0.00 N ATOM 73 CA ASP A 297 3.196 5.640 -4.200 1.00 0.00 C ATOM 74 C ASP A 297 2.976 6.860 -3.310 1.00 0.00 C ATOM 75 O ASP A 297 3.924 7.414 -2.751 1.00 0.00 O ATOM 76 CB ASP A 297 4.694 5.413 -4.410 1.00 0.00 C ATOM 77 CG ASP A 297 4.996 4.653 -5.686 1.00 0.00 C ATOM 78 OD1 ASP A 297 4.863 3.410 -5.683 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.370 5.301 -6.686 1.00 0.00 O ATOM 0 H ASP A 297 3.137 6.021 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 297 2.771 4.767 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.203 6.376 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.097 4.863 -3.560 1.00 0.00 H new ATOM 84 N GLU A 298 1.719 7.279 -3.191 1.00 0.00 N ATOM 85 CA GLU A 298 1.357 8.424 -2.367 1.00 0.00 C ATOM 86 C GLU A 298 0.110 8.108 -1.548 1.00 0.00 C ATOM 87 O GLU A 298 -0.983 7.961 -2.097 1.00 0.00 O ATOM 88 CB GLU A 298 1.109 9.656 -3.234 1.00 0.00 C ATOM 89 CG GLU A 298 2.212 9.929 -4.243 1.00 0.00 C ATOM 90 CD GLU A 298 2.010 11.233 -4.989 1.00 0.00 C ATOM 91 OE1 GLU A 298 1.347 11.216 -6.047 1.00 0.00 O ATOM 92 OE2 GLU A 298 2.514 12.272 -4.513 1.00 0.00 O ATOM 0 H GLU A 298 0.929 6.837 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 298 2.186 8.635 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 298 0.166 9.530 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 298 0.997 10.527 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 298 3.172 9.954 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.256 9.108 -4.959 1.00 0.00 H new ATOM 99 N CYS A 299 0.285 8.000 -0.236 1.00 0.00 N ATOM 100 CA CYS A 299 -0.820 7.692 0.666 1.00 0.00 C ATOM 101 C CYS A 299 -2.025 8.595 0.407 1.00 0.00 C ATOM 102 O CYS A 299 -1.991 9.795 0.683 1.00 0.00 O ATOM 103 CB CYS A 299 -0.364 7.825 2.112 1.00 0.00 C ATOM 104 SG CYS A 299 -1.728 7.968 3.303 1.00 0.00 S ATOM 0 H CYS A 299 1.185 8.122 0.229 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.130 6.664 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.243 6.958 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.277 8.702 2.201 1.00 0.00 H new ATOM 109 N ALA A 300 -3.098 7.993 -0.094 1.00 0.00 N ATOM 110 CA ALA A 300 -4.320 8.720 -0.430 1.00 0.00 C ATOM 111 C ALA A 300 -5.031 9.313 0.789 1.00 0.00 C ATOM 112 O ALA A 300 -6.133 9.847 0.657 1.00 0.00 O ATOM 113 CB ALA A 300 -5.270 7.800 -1.184 1.00 0.00 C ATOM 0 H ALA A 300 -3.147 6.991 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 300 -4.023 9.562 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -6.181 8.344 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.791 7.454 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.519 6.943 -0.559 1.00 0.00 H new ATOM 119 N VAL A 301 -4.419 9.232 1.971 1.00 0.00 N ATOM 120 CA VAL A 301 -5.053 9.777 3.173 1.00 0.00 C ATOM 121 C VAL A 301 -4.250 10.928 3.783 1.00 0.00 C ATOM 122 O VAL A 301 -4.827 11.825 4.398 1.00 0.00 O ATOM 123 CB VAL A 301 -5.309 8.686 4.250 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.907 7.313 3.748 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.594 9.009 5.556 1.00 0.00 C ATOM 0 H VAL A 301 -3.505 8.804 2.122 1.00 0.00 H new ATOM 0 HA VAL A 301 -6.016 10.168 2.844 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.381 8.676 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.098 6.572 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.488 7.066 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.846 7.313 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.796 8.224 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.520 9.071 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.953 9.963 5.941 1.00 0.00 H new ATOM 135 N CYS A 302 -2.929 10.915 3.617 1.00 0.00 N ATOM 136 CA CYS A 302 -2.104 11.976 4.189 1.00 0.00 C ATOM 137 C CYS A 302 -0.898 12.287 3.305 1.00 0.00 C ATOM 138 O CYS A 302 0.136 12.749 3.785 1.00 0.00 O ATOM 139 CB CYS A 302 -1.667 11.612 5.617 1.00 0.00 C ATOM 140 SG CYS A 302 -0.225 10.503 5.740 1.00 0.00 S ATOM 0 H CYS A 302 -2.416 10.199 3.103 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.710 12.880 4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.442 12.533 6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.508 11.143 6.127 1.00 0.00 H new ATOM 145 N ARG A 303 -1.069 12.043 2.006 1.00 0.00 N ATOM 146 CA ARG A 303 -0.041 12.300 0.991 1.00 0.00 C ATOM 147 C ARG A 303 1.383 12.244 1.546 1.00 0.00 C ATOM 148 O ARG A 303 2.096 13.249 1.547 1.00 0.00 O ATOM 149 CB ARG A 303 -0.287 13.660 0.336 1.00 0.00 C ATOM 150 CG ARG A 303 -1.632 13.768 -0.361 1.00 0.00 C ATOM 151 CD ARG A 303 -1.709 12.839 -1.559 1.00 0.00 C ATOM 152 NE ARG A 303 -3.068 12.738 -2.087 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.352 12.334 -3.321 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.376 12.000 -4.155 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.614 12.264 -3.723 1.00 0.00 N ATOM 0 H ARG A 303 -1.932 11.658 1.622 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.123 11.502 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.219 14.437 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.504 13.853 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.429 13.525 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.795 14.796 -0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.042 13.201 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.357 11.848 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 303 -3.842 12.992 -1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.404 12.053 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -2.597 11.690 -5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.367 12.520 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -4.831 11.954 -4.670 1.00 0.00 H new ATOM 169 N ASP A 304 1.792 11.069 2.013 1.00 0.00 N ATOM 170 CA ASP A 304 3.140 10.885 2.541 1.00 0.00 C ATOM 171 C ASP A 304 3.760 9.605 1.986 1.00 0.00 C ATOM 172 O ASP A 304 3.117 8.874 1.232 1.00 0.00 O ATOM 173 CB ASP A 304 3.128 10.853 4.070 1.00 0.00 C ATOM 174 CG ASP A 304 3.077 12.239 4.682 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.991 13.045 4.402 1.00 0.00 O ATOM 176 OD2 ASP A 304 2.127 12.521 5.441 1.00 0.00 O ATOM 0 H ASP A 304 1.211 10.231 2.037 1.00 0.00 H new ATOM 0 HA ASP A 304 3.747 11.733 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.267 10.278 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 304 4.019 10.335 4.426 1.00 0.00 H new ATOM 181 N GLY A 305 5.010 9.335 2.356 1.00 0.00 N ATOM 182 CA GLY A 305 5.683 8.144 1.863 1.00 0.00 C ATOM 183 C GLY A 305 5.638 6.987 2.838 1.00 0.00 C ATOM 184 O GLY A 305 4.611 6.735 3.454 1.00 0.00 O ATOM 0 H GLY A 305 5.566 9.915 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.223 7.837 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.723 8.386 1.644 1.00 0.00 H new ATOM 188 N GLY A 306 6.753 6.276 2.975 1.00 0.00 N ATOM 189 CA GLY A 306 6.797 5.134 3.872 1.00 0.00 C ATOM 190 C GLY A 306 6.211 3.895 3.224 1.00 0.00 C ATOM 191 O GLY A 306 6.106 3.829 2.001 1.00 0.00 O ATOM 0 H GLY A 306 7.625 6.469 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.829 4.939 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.245 5.365 4.783 1.00 0.00 H new ATOM 195 N GLU A 307 5.821 2.910 4.028 1.00 0.00 N ATOM 196 CA GLU A 307 5.242 1.690 3.485 1.00 0.00 C ATOM 197 C GLU A 307 3.747 1.863 3.263 1.00 0.00 C ATOM 198 O GLU A 307 2.983 2.022 4.215 1.00 0.00 O ATOM 199 CB GLU A 307 5.490 0.507 4.421 1.00 0.00 C ATOM 200 CG GLU A 307 5.167 -0.838 3.788 1.00 0.00 C ATOM 201 CD GLU A 307 5.261 -1.990 4.768 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.267 -2.063 5.507 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.326 -2.820 4.799 1.00 0.00 O ATOM 0 H GLU A 307 5.895 2.933 5.045 1.00 0.00 H new ATOM 0 HA GLU A 307 5.724 1.487 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.534 0.512 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.887 0.632 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.161 -0.805 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.851 -1.017 2.958 1.00 0.00 H new ATOM 210 N LEU A 308 3.332 1.833 2.002 1.00 0.00 N ATOM 211 CA LEU A 308 1.923 1.980 1.668 1.00 0.00 C ATOM 212 C LEU A 308 1.403 0.729 0.973 1.00 0.00 C ATOM 213 O LEU A 308 2.162 -0.021 0.365 1.00 0.00 O ATOM 214 CB LEU A 308 1.685 3.193 0.763 1.00 0.00 C ATOM 215 CG LEU A 308 2.731 4.299 0.831 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.614 5.203 -0.387 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.556 5.104 2.104 1.00 0.00 C ATOM 0 H LEU A 308 3.948 1.709 1.199 1.00 0.00 H new ATOM 0 HA LEU A 308 1.384 2.130 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.622 2.844 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.715 3.623 1.014 1.00 0.00 H new ATOM 0 HG LEU A 308 3.723 3.848 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.366 5.990 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.772 4.616 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.621 5.651 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.308 5.892 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.562 5.551 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.672 4.449 2.968 1.00 0.00 H new ATOM 229 N ILE A 309 0.098 0.526 1.070 1.00 0.00 N ATOM 230 CA ILE A 309 -0.560 -0.611 0.454 1.00 0.00 C ATOM 231 C ILE A 309 -1.381 -0.144 -0.737 1.00 0.00 C ATOM 232 O ILE A 309 -2.519 0.303 -0.589 1.00 0.00 O ATOM 233 CB ILE A 309 -1.465 -1.342 1.463 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.363 -2.360 0.756 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.299 -0.350 2.249 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.167 -3.212 1.712 1.00 0.00 C ATOM 0 H ILE A 309 -0.533 1.146 1.578 1.00 0.00 H new ATOM 0 HA ILE A 309 0.205 -1.310 0.118 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.825 -1.883 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.045 -1.832 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.746 -3.008 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -2.932 -0.886 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.641 0.328 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -2.925 0.222 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.782 -3.912 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.490 -3.767 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.809 -2.572 2.318 1.00 0.00 H new ATOM 248 N CYS A 310 -0.784 -0.225 -1.915 1.00 0.00 N ATOM 249 CA CYS A 310 -1.455 0.198 -3.130 1.00 0.00 C ATOM 250 C CYS A 310 -2.633 -0.715 -3.445 1.00 0.00 C ATOM 251 O CYS A 310 -2.483 -1.935 -3.526 1.00 0.00 O ATOM 252 CB CYS A 310 -0.472 0.217 -4.294 1.00 0.00 C ATOM 253 SG CYS A 310 0.921 1.345 -4.064 1.00 0.00 S ATOM 0 H CYS A 310 0.162 -0.579 -2.054 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.839 1.207 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.088 -0.791 -4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.006 0.496 -5.202 1.00 0.00 H new ATOM 0 HG CYS A 310 1.615 1.407 -5.162 1.00 0.00 H new ATOM 259 N CYS A 311 -3.804 -0.114 -3.619 1.00 0.00 N ATOM 260 CA CYS A 311 -5.015 -0.867 -3.915 1.00 0.00 C ATOM 261 C CYS A 311 -4.850 -1.703 -5.180 1.00 0.00 C ATOM 262 O CYS A 311 -4.151 -1.312 -6.113 1.00 0.00 O ATOM 263 CB CYS A 311 -6.207 0.076 -4.058 1.00 0.00 C ATOM 264 SG CYS A 311 -7.780 -0.786 -4.351 1.00 0.00 S ATOM 0 H CYS A 311 -3.940 0.895 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.199 -1.546 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.295 0.678 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -6.019 0.764 -4.882 1.00 0.00 H new ATOM 269 N ASP A 312 -5.507 -2.859 -5.196 1.00 0.00 N ATOM 270 CA ASP A 312 -5.433 -3.778 -6.327 1.00 0.00 C ATOM 271 C ASP A 312 -6.356 -3.349 -7.466 1.00 0.00 C ATOM 272 O ASP A 312 -6.207 -3.806 -8.599 1.00 0.00 O ATOM 273 CB ASP A 312 -5.801 -5.191 -5.869 1.00 0.00 C ATOM 274 CG ASP A 312 -5.640 -6.221 -6.969 1.00 0.00 C ATOM 275 OD1 ASP A 312 -6.585 -6.389 -7.769 1.00 0.00 O ATOM 276 OD2 ASP A 312 -4.570 -6.863 -7.030 1.00 0.00 O ATOM 0 H ASP A 312 -6.101 -3.183 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 312 -4.410 -3.763 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -5.174 -5.469 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -6.833 -5.198 -5.518 1.00 0.00 H new ATOM 281 N GLY A 313 -7.307 -2.472 -7.161 1.00 0.00 N ATOM 282 CA GLY A 313 -8.238 -2.011 -8.175 1.00 0.00 C ATOM 283 C GLY A 313 -8.034 -0.555 -8.545 1.00 0.00 C ATOM 284 O GLY A 313 -8.126 -0.188 -9.717 1.00 0.00 O ATOM 0 H GLY A 313 -7.450 -2.073 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -8.129 -2.626 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -9.257 -2.150 -7.815 1.00 0.00 H new ATOM 288 N CYS A 314 -7.753 0.275 -7.547 1.00 0.00 N ATOM 289 CA CYS A 314 -7.544 1.700 -7.775 1.00 0.00 C ATOM 290 C CYS A 314 -6.058 2.059 -7.667 1.00 0.00 C ATOM 291 O CYS A 314 -5.299 1.373 -6.982 1.00 0.00 O ATOM 292 CB CYS A 314 -8.365 2.512 -6.772 1.00 0.00 C ATOM 293 SG CYS A 314 -9.908 1.694 -6.243 1.00 0.00 S ATOM 0 H CYS A 314 -7.665 -0.014 -6.573 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.875 1.943 -8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -7.752 2.712 -5.893 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -8.611 3.477 -7.215 1.00 0.00 H new ATOM 298 N PRO A 315 -5.624 3.137 -8.350 1.00 0.00 N ATOM 299 CA PRO A 315 -4.225 3.583 -8.345 1.00 0.00 C ATOM 300 C PRO A 315 -3.830 4.320 -7.068 1.00 0.00 C ATOM 301 O PRO A 315 -3.084 5.298 -7.118 1.00 0.00 O ATOM 302 CB PRO A 315 -4.143 4.549 -9.540 1.00 0.00 C ATOM 303 CG PRO A 315 -5.469 4.471 -10.228 1.00 0.00 C ATOM 304 CD PRO A 315 -6.450 4.007 -9.195 1.00 0.00 C ATOM 0 HA PRO A 315 -3.548 2.731 -8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.937 5.566 -9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.336 4.266 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.757 5.443 -10.629 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -5.431 3.778 -11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.872 4.839 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -7.286 3.467 -9.641 1.00 0.00 H new ATOM 312 N ARG A 316 -4.317 3.849 -5.927 1.00 0.00 N ATOM 313 CA ARG A 316 -4.006 4.489 -4.654 1.00 0.00 C ATOM 314 C ARG A 316 -3.101 3.619 -3.789 1.00 0.00 C ATOM 315 O ARG A 316 -2.678 2.545 -4.204 1.00 0.00 O ATOM 316 CB ARG A 316 -5.293 4.813 -3.901 1.00 0.00 C ATOM 317 CG ARG A 316 -6.020 6.028 -4.448 1.00 0.00 C ATOM 318 CD ARG A 316 -7.410 6.156 -3.849 1.00 0.00 C ATOM 319 NE ARG A 316 -8.388 5.346 -4.567 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.635 5.738 -4.810 1.00 0.00 C ATOM 321 NH1 ARG A 316 -10.057 6.921 -4.382 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.461 4.949 -5.483 1.00 0.00 N ATOM 0 H ARG A 316 -4.924 3.033 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 316 -3.470 5.413 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.958 3.950 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.058 4.982 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.444 6.927 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -6.095 5.952 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.384 5.851 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -7.719 7.201 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.099 4.427 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.424 7.532 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.014 7.220 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.140 4.040 -5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.417 5.251 -5.668 1.00 0.00 H new ATOM 336 N ALA A 317 -2.809 4.114 -2.588 1.00 0.00 N ATOM 337 CA ALA A 317 -1.957 3.423 -1.624 1.00 0.00 C ATOM 338 C ALA A 317 -2.263 3.949 -0.216 1.00 0.00 C ATOM 339 O ALA A 317 -2.601 5.122 -0.064 1.00 0.00 O ATOM 340 CB ALA A 317 -0.493 3.635 -1.982 1.00 0.00 C ATOM 0 H ALA A 317 -3.160 5.012 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.158 2.352 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.137 3.117 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.301 3.239 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.265 4.701 -1.964 1.00 0.00 H new ATOM 346 N PHE A 318 -2.156 3.103 0.814 1.00 0.00 N ATOM 347 CA PHE A 318 -2.478 3.548 2.179 1.00 0.00 C ATOM 348 C PHE A 318 -1.410 3.181 3.212 1.00 0.00 C ATOM 349 O PHE A 318 -0.680 2.211 3.061 1.00 0.00 O ATOM 350 CB PHE A 318 -3.829 2.962 2.601 1.00 0.00 C ATOM 351 CG PHE A 318 -4.995 3.588 1.903 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.244 3.296 0.585 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.838 4.462 2.566 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.312 3.858 -0.075 1.00 0.00 C ATOM 355 CE2 PHE A 318 -6.914 5.034 1.914 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.152 4.731 0.589 1.00 0.00 C ATOM 0 H PHE A 318 -1.857 2.131 0.736 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.519 4.637 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.829 1.890 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -3.950 3.087 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.592 2.615 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.653 4.700 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.494 3.617 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.566 5.716 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.991 5.174 0.073 1.00 0.00 H new ATOM 366 N HIS A 319 -1.349 3.975 4.279 1.00 0.00 N ATOM 367 CA HIS A 319 -0.390 3.759 5.361 1.00 0.00 C ATOM 368 C HIS A 319 -0.891 2.722 6.351 1.00 0.00 C ATOM 369 O HIS A 319 -0.632 2.840 7.548 1.00 0.00 O ATOM 370 CB HIS A 319 -0.163 5.054 6.126 1.00 0.00 C ATOM 371 CG HIS A 319 1.018 5.841 5.704 1.00 0.00 C ATOM 372 ND1 HIS A 319 0.934 7.180 5.437 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.316 5.502 5.566 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.135 7.642 5.158 1.00 0.00 C ATOM 375 NE2 HIS A 319 2.996 6.643 5.231 1.00 0.00 N ATOM 0 H HIS A 319 -1.958 4.781 4.418 1.00 0.00 H new ATOM 0 HA HIS A 319 0.535 3.409 4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -1.051 5.678 6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 319 -0.062 4.818 7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.739 4.517 5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.376 8.665 4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.000 6.710 5.065 1.00 0.00 H new ATOM 383 N LEU A 320 -1.612 1.721 5.864 1.00 0.00 N ATOM 384 CA LEU A 320 -2.144 0.682 6.737 1.00 0.00 C ATOM 385 C LEU A 320 -3.142 1.269 7.727 1.00 0.00 C ATOM 386 O LEU A 320 -4.352 1.142 7.558 1.00 0.00 O ATOM 387 CB LEU A 320 -1.012 0.007 7.500 1.00 0.00 C ATOM 388 CG LEU A 320 0.068 -0.665 6.646 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.508 -1.952 7.291 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.433 -0.934 5.239 1.00 0.00 C ATOM 0 H LEU A 320 -1.841 1.606 4.877 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.654 -0.055 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.533 0.753 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.444 -0.744 8.161 1.00 0.00 H new ATOM 0 HG LEU A 320 0.918 0.014 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.276 -2.423 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.913 -1.743 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.346 -2.624 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.355 -1.411 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.301 -1.592 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.714 0.007 4.766 1.00 0.00 H new ATOM 402 N ALA A 321 -2.614 1.905 8.765 1.00 0.00 N ATOM 403 CA ALA A 321 -3.434 2.525 9.792 1.00 0.00 C ATOM 404 C ALA A 321 -4.118 3.781 9.264 1.00 0.00 C ATOM 405 O ALA A 321 -5.070 4.277 9.867 1.00 0.00 O ATOM 406 CB ALA A 321 -2.582 2.846 11.007 1.00 0.00 C ATOM 0 H ALA A 321 -1.610 2.004 8.916 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.215 1.823 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.202 3.311 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.147 1.927 11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.784 3.531 10.721 1.00 0.00 H new ATOM 412 N CYS A 322 -3.628 4.295 8.135 1.00 0.00 N ATOM 413 CA CYS A 322 -4.226 5.494 7.530 1.00 0.00 C ATOM 414 C CYS A 322 -5.567 5.138 6.903 1.00 0.00 C ATOM 415 O CYS A 322 -6.275 5.992 6.372 1.00 0.00 O ATOM 416 CB CYS A 322 -3.302 6.112 6.472 1.00 0.00 C ATOM 417 SG CYS A 322 -2.211 7.446 7.106 1.00 0.00 S ATOM 0 H CYS A 322 -2.832 3.911 7.625 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.372 6.233 8.318 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.682 5.324 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.913 6.512 5.663 1.00 0.00 H new ATOM 422 N LEU A 323 -5.896 3.856 6.977 1.00 0.00 N ATOM 423 CA LEU A 323 -7.140 3.328 6.436 1.00 0.00 C ATOM 424 C LEU A 323 -8.270 3.449 7.442 1.00 0.00 C ATOM 425 O LEU A 323 -8.019 3.604 8.638 1.00 0.00 O ATOM 426 CB LEU A 323 -6.954 1.851 6.097 1.00 0.00 C ATOM 427 CG LEU A 323 -6.380 1.563 4.731 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.773 0.170 4.703 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.471 1.704 3.693 1.00 0.00 C ATOM 0 H LEU A 323 -5.305 3.150 7.416 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.394 3.903 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.302 1.404 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.921 1.354 6.178 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.588 2.277 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.362 -0.028 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.978 0.104 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.543 -0.567 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.061 1.497 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.272 0.997 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.867 2.719 3.717 1.00 0.00 H new ATOM 441 N SER A 324 -9.518 3.389 6.970 1.00 0.00 N ATOM 442 CA SER A 324 -10.640 3.432 7.898 1.00 0.00 C ATOM 443 C SER A 324 -10.423 2.294 8.889 1.00 0.00 C ATOM 444 O SER A 324 -10.434 2.510 10.102 1.00 0.00 O ATOM 445 CB SER A 324 -11.994 3.331 7.179 1.00 0.00 C ATOM 446 OG SER A 324 -12.189 4.427 6.303 1.00 0.00 O ATOM 0 H SER A 324 -9.768 3.313 5.984 1.00 0.00 H new ATOM 0 HA SER A 324 -10.676 4.390 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 324 -12.042 2.399 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.798 3.301 7.914 1.00 0.00 H new ATOM 0 HG SER A 324 -13.057 4.338 5.856 1.00 0.00 H new ATOM 452 N PRO A 325 -10.216 1.054 8.384 1.00 0.00 N ATOM 453 CA PRO A 325 -9.881 -0.087 9.197 1.00 0.00 C ATOM 454 C PRO A 325 -8.389 -0.357 9.038 1.00 0.00 C ATOM 455 O PRO A 325 -7.911 -0.564 7.922 1.00 0.00 O ATOM 456 CB PRO A 325 -10.716 -1.190 8.573 1.00 0.00 C ATOM 457 CG PRO A 325 -10.868 -0.801 7.127 1.00 0.00 C ATOM 458 CD PRO A 325 -10.349 0.616 6.986 1.00 0.00 C ATOM 0 HA PRO A 325 -10.075 0.023 10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.225 -2.158 8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.686 -1.274 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.308 -1.481 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.912 -0.860 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.395 0.647 6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.041 1.247 6.428 1.00 0.00 H new ATOM 466 N PRO A 326 -7.625 -0.371 10.130 1.00 0.00 N ATOM 467 CA PRO A 326 -6.184 -0.541 10.049 1.00 0.00 C ATOM 468 C PRO A 326 -5.747 -1.974 9.848 1.00 0.00 C ATOM 469 O PRO A 326 -6.275 -2.907 10.453 1.00 0.00 O ATOM 470 CB PRO A 326 -5.708 0.006 11.374 1.00 0.00 C ATOM 471 CG PRO A 326 -6.805 -0.327 12.320 1.00 0.00 C ATOM 472 CD PRO A 326 -8.091 -0.278 11.521 1.00 0.00 C ATOM 0 HA PRO A 326 -5.764 -0.032 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.767 -0.451 11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.538 1.082 11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.656 -1.315 12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.834 0.384 13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.757 -1.102 11.779 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.642 0.645 11.700 1.00 0.00 H new ATOM 480 N LEU A 327 -4.767 -2.116 8.976 1.00 0.00 N ATOM 481 CA LEU A 327 -4.209 -3.404 8.634 1.00 0.00 C ATOM 482 C LEU A 327 -3.134 -3.823 9.624 1.00 0.00 C ATOM 483 O LEU A 327 -1.941 -3.675 9.353 1.00 0.00 O ATOM 484 CB LEU A 327 -3.630 -3.336 7.228 1.00 0.00 C ATOM 485 CG LEU A 327 -4.555 -2.703 6.205 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.844 -2.496 4.890 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.777 -3.565 6.018 1.00 0.00 C ATOM 0 H LEU A 327 -4.335 -1.334 8.484 1.00 0.00 H new ATOM 0 HA LEU A 327 -5.002 -4.151 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.698 -2.771 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.381 -4.345 6.901 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.865 -1.725 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.528 -2.041 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.986 -1.840 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.503 -3.457 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.437 -3.105 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.476 -4.552 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.303 -3.661 6.968 1.00 0.00 H new ATOM 499 N ARG A 328 -3.559 -4.333 10.778 1.00 0.00 N ATOM 500 CA ARG A 328 -2.625 -4.807 11.794 1.00 0.00 C ATOM 501 C ARG A 328 -1.609 -5.728 11.139 1.00 0.00 C ATOM 502 O ARG A 328 -0.507 -5.947 11.644 1.00 0.00 O ATOM 503 CB ARG A 328 -3.381 -5.565 12.882 1.00 0.00 C ATOM 504 CG ARG A 328 -2.517 -5.977 14.053 1.00 0.00 C ATOM 505 CD ARG A 328 -3.297 -6.808 15.059 1.00 0.00 C ATOM 506 NE ARG A 328 -2.504 -7.118 16.245 1.00 0.00 N ATOM 507 CZ ARG A 328 -2.885 -7.978 17.186 1.00 0.00 C ATOM 508 NH1 ARG A 328 -4.044 -8.614 17.077 1.00 0.00 N ATOM 509 NH2 ARG A 328 -2.107 -8.202 18.236 1.00 0.00 N ATOM 0 H ARG A 328 -4.542 -4.428 11.032 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.115 -3.957 12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.197 -4.941 13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.832 -6.456 12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -1.663 -6.550 13.692 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -2.121 -5.088 14.544 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.196 -6.268 15.355 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -3.623 -7.736 14.588 1.00 0.00 H new ATOM 0 HE ARG A 328 -1.606 -6.648 16.359 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -4.645 -8.444 16.271 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -4.334 -9.273 17.800 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -1.215 -7.715 18.323 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -2.400 -8.862 18.957 1.00 0.00 H new ATOM 523 N GLU A 329 -2.017 -6.258 9.996 1.00 0.00 N ATOM 524 CA GLU A 329 -1.201 -7.153 9.197 1.00 0.00 C ATOM 525 C GLU A 329 -1.743 -7.175 7.774 1.00 0.00 C ATOM 526 O GLU A 329 -2.900 -7.529 7.542 1.00 0.00 O ATOM 527 CB GLU A 329 -1.182 -8.558 9.800 1.00 0.00 C ATOM 528 CG GLU A 329 -2.563 -9.154 9.987 1.00 0.00 C ATOM 529 CD GLU A 329 -2.524 -10.601 10.438 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.490 -11.493 9.565 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.526 -10.841 11.664 1.00 0.00 O ATOM 0 H GLU A 329 -2.936 -6.075 9.594 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.172 -6.794 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.596 -9.214 9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.676 -8.524 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.111 -8.564 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.113 -9.086 9.048 1.00 0.00 H new ATOM 538 N ILE A 330 -0.900 -6.775 6.831 1.00 0.00 N ATOM 539 CA ILE A 330 -1.275 -6.702 5.430 1.00 0.00 C ATOM 540 C ILE A 330 -2.135 -7.881 4.972 1.00 0.00 C ATOM 541 O ILE A 330 -1.846 -9.035 5.286 1.00 0.00 O ATOM 542 CB ILE A 330 -0.022 -6.590 4.561 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.675 -5.274 4.897 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.366 -6.677 3.077 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.090 -4.052 4.479 1.00 0.00 C ATOM 0 H ILE A 330 0.062 -6.493 7.018 1.00 0.00 H new ATOM 0 HA ILE A 330 -1.890 -5.810 5.314 1.00 0.00 H new ATOM 0 HB ILE A 330 0.648 -7.424 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.848 -5.231 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.653 -5.260 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.546 -6.594 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.846 -7.633 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.044 -5.866 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 330 0.472 -3.159 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.241 -4.069 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.058 -4.039 4.980 1.00 0.00 H new ATOM 557 N PRO A 331 -3.213 -7.579 4.218 1.00 0.00 N ATOM 558 CA PRO A 331 -4.147 -8.581 3.691 1.00 0.00 C ATOM 559 C PRO A 331 -3.449 -9.816 3.132 1.00 0.00 C ATOM 560 O PRO A 331 -2.312 -9.738 2.666 1.00 0.00 O ATOM 561 CB PRO A 331 -4.851 -7.824 2.574 1.00 0.00 C ATOM 562 CG PRO A 331 -4.874 -6.416 3.049 1.00 0.00 C ATOM 563 CD PRO A 331 -3.609 -6.212 3.823 1.00 0.00 C ATOM 0 HA PRO A 331 -4.808 -8.968 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.315 -7.917 1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -5.859 -8.205 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -4.932 -5.723 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.747 -6.231 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -2.841 -5.733 3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.771 -5.575 4.693 1.00 0.00 H new ATOM 571 N SER A 332 -4.139 -10.952 3.175 1.00 0.00 N ATOM 572 CA SER A 332 -3.584 -12.205 2.672 1.00 0.00 C ATOM 573 C SER A 332 -3.121 -12.068 1.222 1.00 0.00 C ATOM 574 O SER A 332 -1.921 -12.036 0.946 1.00 0.00 O ATOM 575 CB SER A 332 -4.613 -13.323 2.790 1.00 0.00 C ATOM 576 OG SER A 332 -5.886 -12.904 2.329 1.00 0.00 O ATOM 0 H SER A 332 -5.083 -11.031 3.553 1.00 0.00 H new ATOM 0 HA SER A 332 -2.714 -12.453 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.282 -14.187 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.688 -13.643 3.829 1.00 0.00 H new ATOM 0 HG SER A 332 -6.525 -13.642 2.416 1.00 0.00 H new ATOM 582 N GLY A 333 -4.080 -11.985 0.301 1.00 0.00 N ATOM 583 CA GLY A 333 -3.750 -11.858 -1.108 1.00 0.00 C ATOM 584 C GLY A 333 -4.086 -10.487 -1.667 1.00 0.00 C ATOM 585 O GLY A 333 -3.313 -9.542 -1.511 1.00 0.00 O ATOM 0 H GLY A 333 -5.079 -12.004 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.686 -12.052 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.289 -12.618 -1.673 1.00 0.00 H new ATOM 589 N THR A 334 -5.239 -10.385 -2.322 1.00 0.00 N ATOM 590 CA THR A 334 -5.680 -9.123 -2.909 1.00 0.00 C ATOM 591 C THR A 334 -6.176 -8.164 -1.833 1.00 0.00 C ATOM 592 O THR A 334 -6.213 -8.511 -0.652 1.00 0.00 O ATOM 593 CB THR A 334 -6.803 -9.346 -3.938 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.954 -9.904 -3.293 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.342 -10.275 -5.051 1.00 0.00 C ATOM 0 H THR A 334 -5.886 -11.162 -2.460 1.00 0.00 H new ATOM 0 HA THR A 334 -4.817 -8.687 -3.413 1.00 0.00 H new ATOM 0 HB THR A 334 -7.061 -8.381 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.665 -10.041 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.153 -10.417 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.483 -9.836 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.059 -11.238 -4.627 1.00 0.00 H new ATOM 603 N TRP A 335 -6.560 -6.958 -2.245 1.00 0.00 N ATOM 604 CA TRP A 335 -7.051 -5.954 -1.306 1.00 0.00 C ATOM 605 C TRP A 335 -7.610 -4.732 -2.027 1.00 0.00 C ATOM 606 O TRP A 335 -7.014 -4.235 -2.981 1.00 0.00 O ATOM 607 CB TRP A 335 -5.927 -5.500 -0.378 1.00 0.00 C ATOM 608 CG TRP A 335 -6.345 -4.414 0.563 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.990 -4.559 1.757 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.149 -3.011 0.379 1.00 0.00 C ATOM 611 NE1 TRP A 335 -7.190 -3.328 2.334 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.684 -2.366 1.504 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.564 -2.238 -0.627 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.652 -0.987 1.653 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.535 -0.865 -0.480 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.074 -0.252 0.655 1.00 0.00 C ATOM 0 H TRP A 335 -6.541 -6.654 -3.218 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.851 -6.420 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.572 -6.355 0.198 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -5.088 -5.149 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -7.298 -5.502 2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.641 -3.160 3.233 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.142 -2.706 -1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -7.069 -0.510 2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.090 -0.256 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.033 0.823 0.745 1.00 0.00 H new ATOM 627 N ARG A 336 -8.759 -4.256 -1.559 1.00 0.00 N ATOM 628 CA ARG A 336 -9.384 -3.072 -2.125 1.00 0.00 C ATOM 629 C ARG A 336 -9.465 -1.973 -1.066 1.00 0.00 C ATOM 630 O ARG A 336 -9.568 -2.263 0.127 1.00 0.00 O ATOM 631 CB ARG A 336 -10.773 -3.418 -2.649 1.00 0.00 C ATOM 632 CG ARG A 336 -10.779 -4.621 -3.561 1.00 0.00 C ATOM 633 CD ARG A 336 -11.835 -4.460 -4.615 1.00 0.00 C ATOM 634 NE ARG A 336 -12.052 -5.685 -5.378 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.477 -5.705 -6.638 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.726 -4.569 -7.276 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.651 -6.861 -7.262 1.00 0.00 N ATOM 0 H ARG A 336 -9.276 -4.676 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.782 -2.708 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.437 -3.606 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.176 -2.560 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.801 -4.738 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.966 -5.526 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.771 -4.158 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -11.547 -3.658 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 336 -11.867 -6.577 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.592 -3.677 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -13.052 -4.588 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.459 -7.737 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -12.977 -6.875 -8.228 1.00 0.00 H new ATOM 651 N CYS A 337 -9.415 -0.715 -1.496 1.00 0.00 N ATOM 652 CA CYS A 337 -9.466 0.409 -0.558 1.00 0.00 C ATOM 653 C CYS A 337 -10.901 0.885 -0.323 1.00 0.00 C ATOM 654 O CYS A 337 -11.793 0.605 -1.113 1.00 0.00 O ATOM 655 CB CYS A 337 -8.581 1.565 -1.036 1.00 0.00 C ATOM 656 SG CYS A 337 -9.093 2.323 -2.610 1.00 0.00 S ATOM 0 H CYS A 337 -9.340 -0.447 -2.477 1.00 0.00 H new ATOM 0 HA CYS A 337 -9.077 0.053 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.568 2.336 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.559 1.202 -1.140 1.00 0.00 H new ATOM 661 N SER A 338 -11.101 1.611 0.774 1.00 0.00 N ATOM 662 CA SER A 338 -12.424 2.117 1.163 1.00 0.00 C ATOM 663 C SER A 338 -13.333 2.430 -0.032 1.00 0.00 C ATOM 664 O SER A 338 -14.440 1.907 -0.121 1.00 0.00 O ATOM 665 CB SER A 338 -12.272 3.365 2.031 1.00 0.00 C ATOM 666 OG SER A 338 -11.661 4.420 1.308 1.00 0.00 O ATOM 0 H SER A 338 -10.355 1.867 1.420 1.00 0.00 H new ATOM 0 HA SER A 338 -12.906 1.317 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 338 -13.251 3.684 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.673 3.129 2.911 1.00 0.00 H new ATOM 0 HG SER A 338 -11.577 5.207 1.886 1.00 0.00 H new ATOM 672 N SER A 339 -12.867 3.282 -0.938 1.00 0.00 N ATOM 673 CA SER A 339 -13.655 3.674 -2.109 1.00 0.00 C ATOM 674 C SER A 339 -14.311 2.478 -2.805 1.00 0.00 C ATOM 675 O SER A 339 -15.536 2.336 -2.792 1.00 0.00 O ATOM 676 CB SER A 339 -12.774 4.431 -3.090 1.00 0.00 C ATOM 677 OG SER A 339 -11.629 3.675 -3.441 1.00 0.00 O ATOM 0 H SER A 339 -11.946 3.717 -0.887 1.00 0.00 H new ATOM 0 HA SER A 339 -14.461 4.318 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 339 -13.345 4.668 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 339 -12.466 5.379 -2.649 1.00 0.00 H new ATOM 0 HG SER A 339 -11.055 3.567 -2.654 1.00 0.00 H new ATOM 683 N CYS A 340 -13.493 1.623 -3.408 1.00 0.00 N ATOM 684 CA CYS A 340 -13.980 0.454 -4.115 1.00 0.00 C ATOM 685 C CYS A 340 -14.760 -0.446 -3.174 1.00 0.00 C ATOM 686 O CYS A 340 -15.770 -1.042 -3.548 1.00 0.00 O ATOM 687 CB CYS A 340 -12.796 -0.310 -4.687 1.00 0.00 C ATOM 688 SG CYS A 340 -11.440 -0.487 -3.509 1.00 0.00 S ATOM 0 H CYS A 340 -12.478 1.724 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.641 0.773 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -13.127 -1.299 -5.004 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.433 0.205 -5.577 1.00 0.00 H new ATOM 693 N LEU A 341 -14.267 -0.532 -1.947 1.00 0.00 N ATOM 694 CA LEU A 341 -14.879 -1.344 -0.914 1.00 0.00 C ATOM 695 C LEU A 341 -16.366 -1.055 -0.785 1.00 0.00 C ATOM 696 O LEU A 341 -17.183 -1.974 -0.712 1.00 0.00 O ATOM 697 CB LEU A 341 -14.162 -1.095 0.404 1.00 0.00 C ATOM 698 CG LEU A 341 -12.768 -1.709 0.491 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.069 -1.298 1.769 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.861 -3.214 0.386 1.00 0.00 C ATOM 0 H LEU A 341 -13.428 -0.038 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.782 -2.394 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -14.082 -0.020 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.772 -1.492 1.216 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.172 -1.336 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.078 -1.751 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.974 -0.213 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.651 -1.634 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -11.862 -3.646 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.474 -3.598 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.314 -3.485 -0.568 1.00 0.00 H new ATOM 712 N GLN A 342 -16.711 0.220 -0.758 1.00 0.00 N ATOM 713 CA GLN A 342 -18.107 0.624 -0.654 1.00 0.00 C ATOM 714 C GLN A 342 -18.855 0.254 -1.926 1.00 0.00 C ATOM 715 O GLN A 342 -20.010 -0.171 -1.881 1.00 0.00 O ATOM 716 CB GLN A 342 -18.227 2.121 -0.401 1.00 0.00 C ATOM 717 CG GLN A 342 -17.347 2.629 0.730 1.00 0.00 C ATOM 718 CD GLN A 342 -17.665 4.061 1.122 1.00 0.00 C ATOM 719 OE1 GLN A 342 -17.514 4.446 2.281 1.00 0.00 O ATOM 720 NE2 GLN A 342 -18.102 4.860 0.154 1.00 0.00 N ATOM 0 H GLN A 342 -16.048 0.994 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 342 -18.549 0.097 0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 342 -17.970 2.655 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 342 -19.266 2.359 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 342 -17.470 1.983 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 342 -16.301 2.563 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 342 -18.213 4.500 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 342 -18.327 5.834 0.359 1.00 0.00 H new ATOM 729 N ALA A 343 -18.183 0.419 -3.061 1.00 0.00 N ATOM 730 CA ALA A 343 -18.771 0.097 -4.354 1.00 0.00 C ATOM 731 C ALA A 343 -19.055 -1.398 -4.467 1.00 0.00 C ATOM 732 O ALA A 343 -19.951 -1.816 -5.200 1.00 0.00 O ATOM 733 CB ALA A 343 -17.851 0.551 -5.475 1.00 0.00 C ATOM 0 H ALA A 343 -17.228 0.775 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 343 -19.719 0.627 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 343 -18.301 0.305 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 343 -17.702 1.629 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -16.890 0.045 -5.384 1.00 0.00 H new ATOM 739 N THR A 344 -18.283 -2.197 -3.735 1.00 0.00 N ATOM 740 CA THR A 344 -18.450 -3.645 -3.744 1.00 0.00 C ATOM 741 C THR A 344 -18.160 -4.230 -2.359 1.00 0.00 C ATOM 742 O THR A 344 -18.918 -3.999 -1.416 1.00 0.00 O ATOM 743 CB THR A 344 -17.540 -4.307 -4.796 1.00 0.00 C ATOM 744 OG1 THR A 344 -17.583 -3.563 -6.020 1.00 0.00 O ATOM 745 CG2 THR A 344 -17.970 -5.743 -5.063 1.00 0.00 C ATOM 0 H THR A 344 -17.535 -1.864 -3.127 1.00 0.00 H new ATOM 0 HA THR A 344 -19.486 -3.855 -4.008 1.00 0.00 H new ATOM 0 HB THR A 344 -16.522 -4.314 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 344 -17.001 -3.990 -6.683 1.00 0.00 H new ATOM 0 HG21 THR A 344 -17.311 -6.187 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 344 -17.911 -6.318 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 344 -18.995 -5.753 -5.432 1.00 0.00 H new ATOM 753 N VAL A 345 -17.068 -4.987 -2.234 1.00 0.00 N ATOM 754 CA VAL A 345 -16.694 -5.582 -0.952 1.00 0.00 C ATOM 755 C VAL A 345 -15.176 -5.680 -0.821 1.00 0.00 C ATOM 756 O VAL A 345 -14.438 -5.123 -1.634 1.00 0.00 O ATOM 757 CB VAL A 345 -17.304 -6.989 -0.754 1.00 0.00 C ATOM 758 CG1 VAL A 345 -17.716 -7.181 0.698 1.00 0.00 C ATOM 759 CG2 VAL A 345 -18.488 -7.219 -1.681 1.00 0.00 C ATOM 0 H VAL A 345 -16.431 -5.201 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 345 -17.094 -4.923 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 345 -16.541 -7.726 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -18.144 -8.175 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -16.842 -7.077 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -18.457 -6.429 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 345 -18.892 -8.218 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 345 -19.260 -6.477 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 345 -18.162 -7.127 -2.717 1.00 0.00 H new ATOM 769 N GLN A 346 -14.714 -6.395 0.204 1.00 0.00 N ATOM 770 CA GLN A 346 -13.283 -6.558 0.440 1.00 0.00 C ATOM 771 C GLN A 346 -12.751 -7.816 -0.237 1.00 0.00 C ATOM 772 O GLN A 346 -13.479 -8.793 -0.416 1.00 0.00 O ATOM 773 CB GLN A 346 -12.994 -6.608 1.943 1.00 0.00 C ATOM 774 CG GLN A 346 -11.514 -6.509 2.280 1.00 0.00 C ATOM 775 CD GLN A 346 -11.253 -6.529 3.774 1.00 0.00 C ATOM 776 OE1 GLN A 346 -11.234 -5.485 4.426 1.00 0.00 O ATOM 777 NE2 GLN A 346 -11.045 -7.719 4.323 1.00 0.00 N ATOM 0 H GLN A 346 -15.310 -6.869 0.882 1.00 0.00 H new ATOM 0 HA GLN A 346 -12.773 -5.698 0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 346 -13.526 -5.793 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 346 -13.390 -7.538 2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 346 -10.982 -7.337 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 346 -11.110 -5.590 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 346 -11.070 -8.559 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 346 -10.860 -7.794 5.323 1.00 0.00 H new ATOM 786 N GLU A 347 -11.472 -7.780 -0.606 1.00 0.00 N ATOM 787 CA GLU A 347 -10.824 -8.909 -1.265 1.00 0.00 C ATOM 788 C GLU A 347 -11.566 -9.301 -2.540 1.00 0.00 C ATOM 789 O GLU A 347 -11.265 -8.716 -3.601 1.00 0.00 O ATOM 790 CB GLU A 347 -10.743 -10.107 -0.315 1.00 0.00 C ATOM 791 CG GLU A 347 -9.959 -9.824 0.955 1.00 0.00 C ATOM 792 CD GLU A 347 -9.832 -11.043 1.848 1.00 0.00 C ATOM 793 OE1 GLU A 347 -10.775 -11.312 2.622 1.00 0.00 O ATOM 794 OE2 GLU A 347 -8.789 -11.725 1.776 1.00 0.00 O ATOM 795 OXT GLU A 347 -12.440 -10.190 -2.466 1.00 0.00 O ATOM 0 H GLU A 347 -10.862 -6.976 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 347 -9.814 -8.603 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 347 -11.753 -10.417 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 347 -10.281 -10.944 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 347 -8.964 -9.467 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 347 -10.449 -9.023 1.508 1.00 0.00 H new TER 802 GLU A 347 ATOM 803 N ALA B 1 -1.599 -8.131 0.181 1.00 0.00 N ATOM 804 CA ALA B 1 -1.849 -6.976 -0.718 1.00 0.00 C ATOM 805 C ALA B 1 -0.541 -6.336 -1.168 1.00 0.00 C ATOM 806 O ALA B 1 0.483 -6.455 -0.496 1.00 0.00 O ATOM 807 CB ALA B 1 -2.738 -5.955 -0.027 1.00 0.00 C ATOM 0 H1 ALA B 1 -2.016 -8.989 -0.233 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.574 -8.265 0.297 1.00 0.00 H new ATOM 0 H3 ALA B 1 -2.032 -7.949 1.109 1.00 0.00 H new ATOM 0 HA ALA B 1 -2.363 -7.341 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -2.914 -5.113 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.690 -6.418 0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.248 -5.601 0.880 1.00 0.00 H new ATOM 815 N ARG B 2 -0.582 -5.661 -2.315 1.00 0.00 N ATOM 816 CA ARG B 2 0.601 -5.005 -2.861 1.00 0.00 C ATOM 817 C ARG B 2 1.001 -3.807 -2.005 1.00 0.00 C ATOM 818 O ARG B 2 0.519 -2.695 -2.218 1.00 0.00 O ATOM 819 CB ARG B 2 0.345 -4.544 -4.299 1.00 0.00 C ATOM 820 CG ARG B 2 -0.352 -5.580 -5.172 1.00 0.00 C ATOM 821 CD ARG B 2 0.418 -6.891 -5.226 1.00 0.00 C ATOM 822 NE ARG B 2 0.014 -7.719 -6.363 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.215 -8.202 -6.533 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.167 -7.945 -5.644 1.00 0.00 N ATOM 825 NH2 ARG B 2 -1.493 -8.943 -7.596 1.00 0.00 N ATOM 0 H ARG B 2 -1.422 -5.555 -2.883 1.00 0.00 H new ATOM 0 HA ARG B 2 1.416 -5.729 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -0.261 -3.638 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.297 -4.279 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -1.355 -5.764 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -0.467 -5.185 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG B 2 1.486 -6.682 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG B 2 0.258 -7.444 -4.300 1.00 0.00 H new ATOM 0 HE ARG B 2 0.717 -7.940 -7.068 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -1.959 -7.374 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.106 -8.318 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.766 -9.143 -8.283 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.434 -9.314 -7.727 1.00 0.00 H new ATOM 839 N THR B 3 1.884 -4.040 -1.040 1.00 0.00 N ATOM 840 CA THR B 3 2.344 -2.974 -0.157 1.00 0.00 C ATOM 841 C THR B 3 3.867 -2.878 -0.163 1.00 0.00 C ATOM 842 O THR B 3 4.562 -3.851 0.129 1.00 0.00 O ATOM 843 CB THR B 3 1.855 -3.183 1.290 1.00 0.00 C ATOM 844 OG1 THR B 3 2.807 -3.954 2.033 1.00 0.00 O ATOM 845 CG2 THR B 3 0.510 -3.891 1.303 1.00 0.00 C ATOM 0 H THR B 3 2.294 -4.954 -0.850 1.00 0.00 H new ATOM 0 HA THR B 3 1.921 -2.044 -0.538 1.00 0.00 H new ATOM 0 HB THR B 3 1.746 -2.203 1.754 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.484 -4.314 1.423 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.182 -4.029 2.333 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.223 -3.289 0.766 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.606 -4.863 0.819 1.00 0.00 H new ATOM 853 N LYS B 4 4.379 -1.700 -0.505 1.00 0.00 N ATOM 854 CA LYS B 4 5.821 -1.476 -0.552 1.00 0.00 C ATOM 855 C LYS B 4 6.177 -0.085 -0.036 1.00 0.00 C ATOM 856 O LYS B 4 5.331 0.810 0.004 1.00 0.00 O ATOM 857 CB LYS B 4 6.347 -1.661 -1.980 1.00 0.00 C ATOM 858 CG LYS B 4 5.341 -1.300 -3.066 1.00 0.00 C ATOM 859 CD LYS B 4 4.999 0.183 -3.063 1.00 0.00 C ATOM 860 CE LYS B 4 6.202 1.039 -3.431 1.00 0.00 C ATOM 861 NZ LYS B 4 6.607 0.847 -4.852 1.00 0.00 N ATOM 0 H LYS B 4 3.818 -0.886 -0.754 1.00 0.00 H new ATOM 0 HA LYS B 4 6.296 -2.212 0.096 1.00 0.00 H new ATOM 0 HB2 LYS B 4 7.240 -1.049 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS B 4 6.651 -2.699 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS B 4 5.746 -1.576 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS B 4 4.430 -1.881 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.189 0.371 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS B 4 4.636 0.471 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.966 2.089 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.038 0.789 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.430 1.447 -5.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.857 -0.150 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.818 1.109 -5.476 1.00 0.00 H new ATOM 875 N GLN B 5 7.434 0.088 0.359 1.00 0.00 N ATOM 876 CA GLN B 5 7.906 1.368 0.876 1.00 0.00 C ATOM 877 C GLN B 5 8.206 2.342 -0.258 1.00 0.00 C ATOM 878 O GLN B 5 8.541 1.933 -1.371 1.00 0.00 O ATOM 879 CB GLN B 5 9.155 1.168 1.736 1.00 0.00 C ATOM 880 CG GLN B 5 8.905 0.341 2.987 1.00 0.00 C ATOM 881 CD GLN B 5 10.132 0.232 3.873 1.00 0.00 C ATOM 882 OE1 GLN B 5 10.021 0.119 5.094 1.00 0.00 O ATOM 883 NE2 GLN B 5 11.312 0.263 3.262 1.00 0.00 N ATOM 0 H GLN B 5 8.145 -0.643 0.331 1.00 0.00 H new ATOM 0 HA GLN B 5 7.113 1.792 1.492 1.00 0.00 H new ATOM 0 HB2 GLN B 5 9.925 0.682 1.137 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.546 2.143 2.027 1.00 0.00 H new ATOM 0 HG2 GLN B 5 8.090 0.788 3.556 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.581 -0.659 2.698 1.00 0.00 H new ATOM 0 HE21 GLN B 5 11.359 0.358 2.247 1.00 0.00 H new ATOM 0 HE22 GLN B 5 12.171 0.192 3.808 1.00 0.00 H new ATOM 892 N THR B 6 8.084 3.632 0.036 1.00 0.00 N ATOM 893 CA THR B 6 8.337 4.675 -0.951 1.00 0.00 C ATOM 894 C THR B 6 9.022 5.877 -0.312 1.00 0.00 C ATOM 895 O THR B 6 8.848 6.142 0.878 1.00 0.00 O ATOM 896 CB THR B 6 7.027 5.142 -1.618 1.00 0.00 C ATOM 897 OG1 THR B 6 7.297 6.200 -2.544 1.00 0.00 O ATOM 898 CG2 THR B 6 6.029 5.618 -0.571 1.00 0.00 C ATOM 0 H THR B 6 7.810 3.981 0.954 1.00 0.00 H new ATOM 0 HA THR B 6 8.992 4.245 -1.709 1.00 0.00 H new ATOM 0 HB THR B 6 6.595 4.296 -2.153 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.472 6.698 -2.721 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.112 5.943 -1.063 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.803 4.801 0.114 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.456 6.451 -0.013 1.00 0.00 H new ATOM 906 N ALA B 7 9.803 6.602 -1.107 1.00 0.00 N ATOM 907 CA ALA B 7 10.510 7.779 -0.618 1.00 0.00 C ATOM 908 C ALA B 7 10.001 9.042 -1.307 1.00 0.00 C ATOM 909 O ALA B 7 10.626 9.547 -2.242 1.00 0.00 O ATOM 910 CB ALA B 7 12.009 7.622 -0.830 1.00 0.00 C ATOM 0 H ALA B 7 9.962 6.394 -2.093 1.00 0.00 H new ATOM 0 HA ALA B 7 10.318 7.875 0.451 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.524 8.509 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA B 7 12.363 6.745 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.215 7.500 -1.893 1.00 0.00 H new ATOM 916 N ARG B 8 8.863 9.545 -0.841 1.00 0.00 N ATOM 917 CA ARG B 8 8.262 10.743 -1.416 1.00 0.00 C ATOM 918 C ARG B 8 8.959 12.006 -0.922 1.00 0.00 C ATOM 919 O ARG B 8 9.743 12.616 -1.649 1.00 0.00 O ATOM 920 CB ARG B 8 6.772 10.804 -1.075 1.00 0.00 C ATOM 921 CG ARG B 8 5.951 9.694 -1.714 1.00 0.00 C ATOM 922 CD ARG B 8 5.643 9.992 -3.173 1.00 0.00 C ATOM 923 NE ARG B 8 6.835 9.940 -4.015 1.00 0.00 N ATOM 924 CZ ARG B 8 7.011 9.051 -4.987 1.00 0.00 C ATOM 925 NH1 ARG B 8 6.084 8.130 -5.222 1.00 0.00 N ATOM 926 NH2 ARG B 8 8.114 9.078 -5.721 1.00 0.00 N ATOM 0 H ARG B 8 8.338 9.141 -0.066 1.00 0.00 H new ATOM 0 HA ARG B 8 8.383 10.689 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG B 8 6.654 10.754 0.007 1.00 0.00 H new ATOM 0 HB3 ARG B 8 6.375 11.767 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.494 8.752 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.019 9.568 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.910 9.274 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.189 10.980 -3.251 1.00 0.00 H new ATOM 0 HE ARG B 8 7.573 10.624 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.236 8.104 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.220 7.448 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG B 8 8.830 9.782 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.247 8.395 -6.467 1.00 0.00 H new ATOM 940 N LYS B 9 8.668 12.395 0.315 1.00 0.00 N ATOM 941 CA LYS B 9 9.262 13.592 0.896 1.00 0.00 C ATOM 942 C LYS B 9 9.184 13.564 2.420 1.00 0.00 C ATOM 943 O LYS B 9 8.602 12.651 3.006 1.00 0.00 O ATOM 944 CB LYS B 9 8.551 14.838 0.364 1.00 0.00 C ATOM 945 CG LYS B 9 7.053 14.835 0.620 1.00 0.00 C ATOM 946 CD LYS B 9 6.367 16.011 -0.056 1.00 0.00 C ATOM 947 CE LYS B 9 4.863 15.976 0.161 1.00 0.00 C ATOM 948 NZ LYS B 9 4.173 17.100 -0.531 1.00 0.00 N ATOM 0 H LYS B 9 8.026 11.899 0.933 1.00 0.00 H new ATOM 0 HA LYS B 9 10.313 13.621 0.609 1.00 0.00 H new ATOM 0 HB2 LYS B 9 8.989 15.722 0.827 1.00 0.00 H new ATOM 0 HB3 LYS B 9 8.728 14.918 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.623 13.903 0.254 1.00 0.00 H new ATOM 0 HG3 LYS B 9 6.867 14.872 1.693 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.771 16.944 0.336 1.00 0.00 H new ATOM 0 HD3 LYS B 9 6.582 15.995 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS B 9 4.466 15.028 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS B 9 4.650 16.022 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 3.149 17.039 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 4.532 18.005 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 4.355 17.042 -1.553 1.00 0.00 H new ATOM 962 N SER B 10 9.777 14.572 3.052 1.00 0.00 N ATOM 963 CA SER B 10 9.777 14.676 4.506 1.00 0.00 C ATOM 964 C SER B 10 9.693 16.136 4.938 1.00 0.00 C ATOM 965 O SER B 10 9.710 16.446 6.130 1.00 0.00 O ATOM 966 CB SER B 10 11.037 14.029 5.087 1.00 0.00 C ATOM 967 OG SER B 10 11.047 14.112 6.501 1.00 0.00 O ATOM 0 H SER B 10 10.265 15.331 2.577 1.00 0.00 H new ATOM 0 HA SER B 10 8.903 14.148 4.887 1.00 0.00 H new ATOM 0 HB2 SER B 10 11.087 12.984 4.781 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.922 14.522 4.684 1.00 0.00 H new ATOM 0 HG SER B 10 10.474 14.853 6.789 1.00 0.00 H new ATOM 973 N THR B 11 9.605 17.029 3.957 1.00 0.00 N ATOM 974 CA THR B 11 9.518 18.459 4.224 1.00 0.00 C ATOM 975 C THR B 11 8.560 19.137 3.249 1.00 0.00 C ATOM 976 O THR B 11 8.944 19.497 2.136 1.00 0.00 O ATOM 977 CB THR B 11 10.901 19.131 4.123 1.00 0.00 C ATOM 978 OG1 THR B 11 11.817 18.508 5.031 1.00 0.00 O ATOM 979 CG2 THR B 11 10.808 20.618 4.435 1.00 0.00 C ATOM 0 H THR B 11 9.592 16.785 2.967 1.00 0.00 H new ATOM 0 HA THR B 11 9.141 18.574 5.240 1.00 0.00 H new ATOM 0 HB THR B 11 11.261 19.011 3.101 1.00 0.00 H new ATOM 0 HG1 THR B 11 12.694 18.940 4.959 1.00 0.00 H new ATOM 0 HG21 THR B 11 11.797 21.069 4.357 1.00 0.00 H new ATOM 0 HG22 THR B 11 10.134 21.097 3.725 1.00 0.00 H new ATOM 0 HG23 THR B 11 10.426 20.754 5.447 1.00 0.00 H new ATOM 987 N GLY B 12 7.311 19.306 3.674 1.00 0.00 N ATOM 988 CA GLY B 12 6.317 19.939 2.827 1.00 0.00 C ATOM 989 C GLY B 12 5.781 21.225 3.423 1.00 0.00 C ATOM 990 O GLY B 12 6.542 22.037 3.949 1.00 0.00 O ATOM 0 H GLY B 12 6.970 19.015 4.590 1.00 0.00 H new ATOM 0 HA2 GLY B 12 6.756 20.150 1.852 1.00 0.00 H new ATOM 0 HA3 GLY B 12 5.491 19.247 2.662 1.00 0.00 H new ATOM 994 N GLY B 13 4.465 21.411 3.343 1.00 0.00 N ATOM 995 CA GLY B 13 3.851 22.609 3.883 1.00 0.00 C ATOM 996 C GLY B 13 2.350 22.473 4.044 1.00 0.00 C ATOM 997 O GLY B 13 1.680 21.865 3.208 1.00 0.00 O ATOM 0 H GLY B 13 3.815 20.753 2.914 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.297 22.837 4.851 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.067 23.451 3.226 1.00 0.00 H new ATOM 1001 N LYS B 14 1.820 23.042 5.122 1.00 0.00 N ATOM 1002 CA LYS B 14 0.389 22.987 5.394 1.00 0.00 C ATOM 1003 C LYS B 14 -0.085 24.282 6.047 1.00 0.00 C ATOM 1004 O LYS B 14 0.213 24.544 7.213 1.00 0.00 O ATOM 1005 CB LYS B 14 0.064 21.796 6.301 1.00 0.00 C ATOM 1006 CG LYS B 14 -1.422 21.626 6.583 1.00 0.00 C ATOM 1007 CD LYS B 14 -2.193 21.236 5.331 1.00 0.00 C ATOM 1008 CE LYS B 14 -1.842 19.827 4.873 1.00 0.00 C ATOM 1009 NZ LYS B 14 -2.570 19.448 3.631 1.00 0.00 N ATOM 0 H LYS B 14 2.362 23.548 5.823 1.00 0.00 H new ATOM 0 HA LYS B 14 -0.133 22.863 4.445 1.00 0.00 H new ATOM 0 HB2 LYS B 14 0.443 20.885 5.838 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.592 21.917 7.247 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -1.562 20.863 7.349 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -1.825 22.556 6.983 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.263 21.299 5.528 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.973 21.944 4.532 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.768 19.759 4.699 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -2.082 19.118 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -2.303 18.482 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -3.595 19.488 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -2.322 20.109 2.868 1.00 0.00 H new ATOM 1023 N ALA B 15 -0.822 25.090 5.290 1.00 0.00 N ATOM 1024 CA ALA B 15 -1.331 26.358 5.802 1.00 0.00 C ATOM 1025 C ALA B 15 -2.635 26.757 5.112 1.00 0.00 C ATOM 1026 O ALA B 15 -2.675 27.738 4.368 1.00 0.00 O ATOM 1027 CB ALA B 15 -0.286 27.449 5.631 1.00 0.00 C ATOM 0 H ALA B 15 -1.079 24.890 4.323 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.543 26.231 6.864 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -0.677 28.391 6.016 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.616 27.178 6.180 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.047 27.561 4.574 1.00 0.00 H new ATOM 1033 N PRO B 16 -3.723 25.999 5.349 1.00 0.00 N ATOM 1034 CA PRO B 16 -5.027 26.288 4.751 1.00 0.00 C ATOM 1035 C PRO B 16 -5.753 27.419 5.472 1.00 0.00 C ATOM 1036 O PRO B 16 -5.150 28.154 6.254 1.00 0.00 O ATOM 1037 CB PRO B 16 -5.781 24.971 4.918 1.00 0.00 C ATOM 1038 CG PRO B 16 -5.205 24.361 6.150 1.00 0.00 C ATOM 1039 CD PRO B 16 -3.765 24.801 6.212 1.00 0.00 C ATOM 0 HA PRO B 16 -4.945 26.621 3.716 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -6.853 25.139 5.023 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -5.643 24.323 4.053 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -5.749 24.688 7.036 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -5.277 23.274 6.115 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -3.462 25.033 7.233 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.093 24.023 5.849 1.00 0.00 H new ATOM 1047 N ARG B 17 -7.051 27.549 5.200 1.00 0.00 N ATOM 1048 CA ARG B 17 -7.877 28.587 5.818 1.00 0.00 C ATOM 1049 C ARG B 17 -7.417 29.982 5.402 1.00 0.00 C ATOM 1050 O ARG B 17 -6.298 30.396 5.706 1.00 0.00 O ATOM 1051 CB ARG B 17 -7.846 28.464 7.343 1.00 0.00 C ATOM 1052 CG ARG B 17 -8.319 27.115 7.858 1.00 0.00 C ATOM 1053 CD ARG B 17 -8.304 27.064 9.378 1.00 0.00 C ATOM 1054 NE ARG B 17 -8.733 25.766 9.887 1.00 0.00 N ATOM 1055 CZ ARG B 17 -8.914 25.503 11.178 1.00 0.00 C ATOM 1056 NH1 ARG B 17 -8.705 26.447 12.088 1.00 0.00 N ATOM 1057 NH2 ARG B 17 -9.305 24.295 11.561 1.00 0.00 N ATOM 0 H ARG B 17 -7.556 26.945 4.552 1.00 0.00 H new ATOM 0 HA ARG B 17 -8.900 28.444 5.470 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -6.828 28.639 7.692 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -8.470 29.247 7.774 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -9.328 26.919 7.496 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -7.679 26.327 7.460 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -7.298 27.280 9.738 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.957 27.842 9.773 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.904 25.018 9.215 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.405 27.378 11.798 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -8.845 26.242 13.077 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -9.467 23.567 10.865 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -9.444 24.094 12.551 1.00 0.00 H new ATOM 1071 N LYS B 18 -8.290 30.704 4.705 1.00 0.00 N ATOM 1072 CA LYS B 18 -7.977 32.055 4.251 1.00 0.00 C ATOM 1073 C LYS B 18 -8.594 33.094 5.180 1.00 0.00 C ATOM 1074 O LYS B 18 -9.006 34.169 4.740 1.00 0.00 O ATOM 1075 CB LYS B 18 -8.475 32.271 2.819 1.00 0.00 C ATOM 1076 CG LYS B 18 -7.668 31.524 1.766 1.00 0.00 C ATOM 1077 CD LYS B 18 -7.972 30.033 1.764 1.00 0.00 C ATOM 1078 CE LYS B 18 -9.396 29.751 1.306 1.00 0.00 C ATOM 1079 NZ LYS B 18 -9.696 28.294 1.295 1.00 0.00 N ATOM 0 H LYS B 18 -9.219 30.376 4.442 1.00 0.00 H new ATOM 0 HA LYS B 18 -6.894 32.173 4.268 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.517 31.956 2.756 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -8.450 33.337 2.593 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.885 31.939 0.782 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -6.604 31.677 1.949 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -7.270 29.519 1.108 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -7.825 29.630 2.766 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.098 30.261 1.966 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -9.544 30.160 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -10.675 28.143 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -9.043 27.810 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -9.580 27.908 2.254 1.00 0.00 H new ATOM 1093 N GLN B 19 -8.657 32.765 6.469 1.00 0.00 N ATOM 1094 CA GLN B 19 -9.221 33.665 7.469 1.00 0.00 C ATOM 1095 C GLN B 19 -10.662 34.034 7.127 1.00 0.00 C ATOM 1096 O GLN B 19 -11.163 35.077 7.551 1.00 0.00 O ATOM 1097 CB GLN B 19 -8.369 34.932 7.585 1.00 0.00 C ATOM 1098 CG GLN B 19 -6.913 34.661 7.928 1.00 0.00 C ATOM 1099 CD GLN B 19 -6.751 33.907 9.234 1.00 0.00 C ATOM 1100 OE1 GLN B 19 -6.650 34.509 10.302 1.00 0.00 O ATOM 1101 NE2 GLN B 19 -6.721 32.582 9.153 1.00 0.00 N ATOM 0 H GLN B 19 -8.323 31.878 6.845 1.00 0.00 H new ATOM 0 HA GLN B 19 -9.220 33.145 8.427 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -8.415 35.478 6.643 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -8.799 35.579 8.350 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -6.455 34.087 7.122 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -6.376 35.608 7.990 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -6.808 32.124 8.246 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -6.611 32.022 9.998 1.00 0.00 H new ATOM 1110 N LEU B 20 -11.323 33.174 6.359 1.00 0.00 N ATOM 1111 CA LEU B 20 -12.707 33.410 5.961 1.00 0.00 C ATOM 1112 C LEU B 20 -13.670 32.965 7.058 1.00 0.00 C ATOM 1113 O LEU B 20 -13.248 32.449 8.092 1.00 0.00 O ATOM 1114 CB LEU B 20 -13.027 32.675 4.653 1.00 0.00 C ATOM 1115 CG LEU B 20 -13.213 31.158 4.775 1.00 0.00 C ATOM 1116 CD1 LEU B 20 -13.775 30.586 3.482 1.00 0.00 C ATOM 1117 CD2 LEU B 20 -11.895 30.479 5.123 1.00 0.00 C ATOM 0 H LEU B 20 -10.923 32.307 6.000 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.832 34.481 5.801 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -13.936 33.102 4.230 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.224 32.869 3.942 1.00 0.00 H new ATOM 0 HG LEU B 20 -13.922 30.965 5.580 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -13.901 29.508 3.585 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -14.740 31.046 3.270 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -13.087 30.794 2.663 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -12.050 29.403 5.205 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -11.164 30.682 4.341 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -11.526 30.865 6.073 1.00 0.00 H new ATOM 1129 N CYS B 21 -14.964 33.170 6.821 1.00 0.00 N ATOM 1130 CA CYS B 21 -15.994 32.795 7.787 1.00 0.00 C ATOM 1131 C CYS B 21 -15.761 33.479 9.131 1.00 0.00 C ATOM 1132 O CYS B 21 -15.082 32.880 9.991 1.00 0.00 O ATOM 1133 CB CYS B 21 -16.026 31.275 7.972 1.00 0.00 C ATOM 1134 SG CYS B 21 -17.247 30.705 9.177 1.00 0.00 S ATOM 1135 OXT CYS B 21 -16.258 34.611 9.310 1.00 0.00 O ATOM 0 H CYS B 21 -15.325 33.595 5.967 1.00 0.00 H new ATOM 0 HA CYS B 21 -16.956 33.126 7.396 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -16.234 30.807 7.010 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -15.038 30.937 8.284 1.00 0.00 H new ATOM 0 HG CYS B 21 -17.200 29.409 9.262 1.00 0.00 H new TER 1141 CYS B 21 HETATM 1142 ZN ZN A 401 -0.846 8.291 5.413 1.00 0.00 ZN HETATM 1143 ZN ZN A 501 -9.561 0.687 -4.184 1.00 0.00 ZN