USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot 33:sc= 0.964 USER MOD Set 1.2: A 79 CYS SG : rot -174:sc= 1.11 USER MOD Single : A 10 LYS NZ :NH3+ -137:sc= -0.0249 (180deg=-0.701) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00315 USER MOD Single : A 17 ASN : amide:sc= -1.11! C(o=-1.1!,f=-1.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 175:sc= -1.01 (180deg=-1.06) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 0.408 (180deg=0.0625) USER MOD Single : A 46 ASN : amide:sc= -0.466 K(o=-0.47,f=-0.97) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.562 USER MOD Single : A 57 GLN : amide:sc= 0.878 K(o=0.88,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0078 USER MOD Single : A 62 CYS SG : rot -130:sc= -0.752 USER MOD Single : A 65 GLN : amide:sc= -0.0651 K(o=-0.065,f=-0.58) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 143:sc= -0.674 (180deg=-2.57!) USER MOD Single : A 77 TYR OH : rot -169:sc= -0.914 USER MOD Single : A 81 CYS SG : rot -16:sc= -7.04! USER MOD Single : A 83 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.84) USER MOD Single : A 86 THR OG1 : rot 140:sc= -0.802 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.405 15.943 -1.866 1.00 0.00 N ATOM 81 CA ALA A 9 2.055 14.970 -0.997 1.00 0.00 C ATOM 82 C ALA A 9 3.198 14.266 -1.719 1.00 0.00 C ATOM 83 O ALA A 9 2.977 13.510 -2.666 1.00 0.00 O ATOM 84 CB ALA A 9 1.041 13.953 -0.492 1.00 0.00 C ATOM 0 HA ALA A 9 2.473 15.504 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.540 13.232 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.260 14.466 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.596 13.432 -1.339 1.00 0.00 H new ATOM 90 N LYS A 10 4.422 14.519 -1.268 1.00 0.00 N ATOM 91 CA LYS A 10 5.601 13.909 -1.871 1.00 0.00 C ATOM 92 C LYS A 10 5.892 12.549 -1.244 1.00 0.00 C ATOM 93 O LYS A 10 5.541 12.299 -0.090 1.00 0.00 O ATOM 94 CB LYS A 10 6.815 14.827 -1.708 1.00 0.00 C ATOM 95 CG LYS A 10 6.742 16.087 -2.554 1.00 0.00 C ATOM 96 CD LYS A 10 7.359 15.873 -3.926 1.00 0.00 C ATOM 97 CE LYS A 10 6.917 16.946 -4.910 1.00 0.00 C ATOM 98 NZ LYS A 10 5.486 16.793 -5.291 1.00 0.00 N ATOM 0 H LYS A 10 4.623 15.143 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 10 5.401 13.765 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.909 15.108 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.716 14.274 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.701 16.392 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.259 16.900 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.446 15.880 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.075 14.891 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.072 17.930 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.538 16.897 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.382 16.937 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.161 15.837 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.914 17.497 -4.783 1.00 0.00 H new ATOM 112 N PHE A 11 6.536 11.675 -2.009 1.00 0.00 N ATOM 113 CA PHE A 11 6.874 10.341 -1.528 1.00 0.00 C ATOM 114 C PHE A 11 8.284 10.313 -0.946 1.00 0.00 C ATOM 115 O PHE A 11 9.265 10.556 -1.651 1.00 0.00 O ATOM 116 CB PHE A 11 6.759 9.321 -2.663 1.00 0.00 C ATOM 117 CG PHE A 11 5.356 8.834 -2.891 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.769 7.937 -2.014 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.626 9.272 -3.984 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.479 7.487 -2.220 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.335 8.826 -4.195 1.00 0.00 C ATOM 122 CZ PHE A 11 2.761 7.931 -3.313 1.00 0.00 C ATOM 0 H PHE A 11 6.835 11.866 -2.965 1.00 0.00 H new ATOM 0 HA PHE A 11 6.169 10.078 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.134 9.769 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.400 8.468 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.326 7.585 -1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.071 9.969 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.033 6.789 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.775 9.177 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.753 7.579 -3.478 1.00 0.00 H new ATOM 132 N THR A 12 8.379 10.017 0.347 1.00 0.00 N ATOM 133 CA THR A 12 9.668 9.960 1.025 1.00 0.00 C ATOM 134 C THR A 12 10.291 8.574 0.905 1.00 0.00 C ATOM 135 O THR A 12 11.498 8.442 0.707 1.00 0.00 O ATOM 136 CB THR A 12 9.534 10.323 2.516 1.00 0.00 C ATOM 137 OG1 THR A 12 8.707 9.362 3.182 1.00 0.00 O ATOM 138 CG2 THR A 12 8.941 11.713 2.683 1.00 0.00 C ATOM 0 H THR A 12 7.578 9.813 0.945 1.00 0.00 H new ATOM 0 HA THR A 12 10.315 10.689 0.538 1.00 0.00 H new ATOM 0 HB THR A 12 10.529 10.314 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.628 9.599 4.130 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.856 11.947 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.589 12.445 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.953 11.745 2.224 1.00 0.00 H new ATOM 146 N GLU A 13 9.460 7.543 1.025 1.00 0.00 N ATOM 147 CA GLU A 13 9.932 6.167 0.930 1.00 0.00 C ATOM 148 C GLU A 13 9.315 5.463 -0.275 1.00 0.00 C ATOM 149 O GLU A 13 9.969 4.662 -0.942 1.00 0.00 O ATOM 150 CB GLU A 13 9.595 5.399 2.210 1.00 0.00 C ATOM 151 CG GLU A 13 10.201 6.010 3.463 1.00 0.00 C ATOM 152 CD GLU A 13 11.677 6.322 3.304 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.001 7.439 2.850 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.507 5.449 3.634 1.00 0.00 O ATOM 0 H GLU A 13 8.457 7.635 1.188 1.00 0.00 H new ATOM 0 HA GLU A 13 11.014 6.189 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.512 5.356 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.946 4.372 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.665 6.926 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.066 5.324 4.299 1.00 0.00 H new ATOM 161 N GLY A 14 8.050 5.768 -0.548 1.00 0.00 N ATOM 162 CA GLY A 14 7.365 5.155 -1.672 1.00 0.00 C ATOM 163 C GLY A 14 7.253 3.650 -1.532 1.00 0.00 C ATOM 164 O GLY A 14 7.768 3.068 -0.577 1.00 0.00 O ATOM 0 H GLY A 14 7.487 6.428 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.367 5.584 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.899 5.392 -2.592 1.00 0.00 H new ATOM 168 N LEU A 15 6.577 3.018 -2.485 1.00 0.00 N ATOM 169 CA LEU A 15 6.397 1.571 -2.464 1.00 0.00 C ATOM 170 C LEU A 15 7.731 0.853 -2.645 1.00 0.00 C ATOM 171 O LEU A 15 8.758 1.485 -2.894 1.00 0.00 O ATOM 172 CB LEU A 15 5.421 1.142 -3.561 1.00 0.00 C ATOM 173 CG LEU A 15 3.953 1.500 -3.331 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.136 1.240 -4.587 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.390 0.714 -2.155 1.00 0.00 C ATOM 0 H LEU A 15 6.144 3.485 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 15 5.986 1.295 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.741 1.592 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.496 0.062 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 15 3.891 2.563 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.094 1.501 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.523 1.847 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.205 0.185 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.344 0.982 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.466 -0.354 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.957 0.950 -1.255 1.00 0.00 H new ATOM 187 N ARG A 16 7.707 -0.470 -2.522 1.00 0.00 N ATOM 188 CA ARG A 16 8.914 -1.273 -2.673 1.00 0.00 C ATOM 189 C ARG A 16 8.565 -2.727 -2.977 1.00 0.00 C ATOM 190 O ARG A 16 7.594 -3.266 -2.449 1.00 0.00 O ATOM 191 CB ARG A 16 9.766 -1.196 -1.404 1.00 0.00 C ATOM 192 CG ARG A 16 9.279 -2.106 -0.289 1.00 0.00 C ATOM 193 CD ARG A 16 9.650 -1.557 1.080 1.00 0.00 C ATOM 194 NE ARG A 16 9.157 -2.405 2.162 1.00 0.00 N ATOM 195 CZ ARG A 16 9.758 -3.524 2.550 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.868 -3.928 1.948 1.00 0.00 N ATOM 197 NH2 ARG A 16 9.248 -4.242 3.543 1.00 0.00 N ATOM 0 H ARG A 16 6.865 -1.008 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 16 9.485 -0.872 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.795 -1.456 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.775 -0.167 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.197 -2.218 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.711 -3.099 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.734 -1.469 1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.240 -0.553 1.191 1.00 0.00 H new ATOM 0 HE ARG A 16 8.305 -2.123 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.263 -3.379 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.327 -4.788 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.394 -3.934 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.710 -5.101 3.841 1.00 0.00 H new ATOM 211 N ASN A 17 9.365 -3.356 -3.832 1.00 0.00 N ATOM 212 CA ASN A 17 9.140 -4.747 -4.208 1.00 0.00 C ATOM 213 C ASN A 17 8.880 -5.608 -2.975 1.00 0.00 C ATOM 214 O ASN A 17 9.781 -5.844 -2.171 1.00 0.00 O ATOM 215 CB ASN A 17 10.345 -5.290 -4.978 1.00 0.00 C ATOM 216 CG ASN A 17 11.540 -5.543 -4.080 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.779 -6.671 -3.648 1.00 0.00 O ATOM 218 ND2 ASN A 17 12.297 -4.491 -3.792 1.00 0.00 N ATOM 0 H ASN A 17 10.175 -2.924 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 17 8.260 -4.787 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.066 -6.218 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.624 -4.581 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.114 -4.600 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.062 -3.574 -4.172 1.00 0.00 H new ATOM 225 N GLU A 18 7.643 -6.074 -2.836 1.00 0.00 N ATOM 226 CA GLU A 18 7.265 -6.908 -1.701 1.00 0.00 C ATOM 227 C GLU A 18 6.721 -8.254 -2.173 1.00 0.00 C ATOM 228 O GLU A 18 6.299 -8.396 -3.320 1.00 0.00 O ATOM 229 CB GLU A 18 6.219 -6.196 -0.842 1.00 0.00 C ATOM 230 CG GLU A 18 5.506 -7.115 0.136 1.00 0.00 C ATOM 231 CD GLU A 18 6.421 -7.621 1.234 1.00 0.00 C ATOM 232 OE1 GLU A 18 6.958 -6.785 1.991 1.00 0.00 O ATOM 233 OE2 GLU A 18 6.601 -8.853 1.336 1.00 0.00 O ATOM 0 H GLU A 18 6.886 -5.889 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 18 8.157 -7.086 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.703 -5.393 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.480 -5.731 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.667 -6.582 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.091 -7.965 -0.406 1.00 0.00 H new ATOM 240 N GLU A 19 6.736 -9.238 -1.279 1.00 0.00 N ATOM 241 CA GLU A 19 6.246 -10.572 -1.604 1.00 0.00 C ATOM 242 C GLU A 19 5.247 -11.055 -0.556 1.00 0.00 C ATOM 243 O GLU A 19 4.975 -10.362 0.423 1.00 0.00 O ATOM 244 CB GLU A 19 7.412 -11.557 -1.706 1.00 0.00 C ATOM 245 CG GLU A 19 8.203 -11.700 -0.416 1.00 0.00 C ATOM 246 CD GLU A 19 9.617 -12.194 -0.650 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.438 -11.413 -1.177 1.00 0.00 O ATOM 248 OE2 GLU A 19 9.903 -13.360 -0.307 1.00 0.00 O ATOM 0 H GLU A 19 7.082 -9.136 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 19 5.739 -10.520 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.027 -12.534 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.084 -11.231 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.238 -10.737 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.686 -12.392 0.248 1.00 0.00 H new ATOM 255 N ALA A 20 4.704 -12.249 -0.771 1.00 0.00 N ATOM 256 CA ALA A 20 3.737 -12.826 0.154 1.00 0.00 C ATOM 257 C ALA A 20 3.362 -14.245 -0.258 1.00 0.00 C ATOM 258 O ALA A 20 3.912 -14.790 -1.215 1.00 0.00 O ATOM 259 CB ALA A 20 2.495 -11.951 0.233 1.00 0.00 C ATOM 0 H ALA A 20 4.918 -12.835 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 20 4.198 -12.873 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.781 -12.394 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.772 -10.957 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.040 -11.875 -0.755 1.00 0.00 H new ATOM 265 N VAL A 21 2.422 -14.839 0.470 1.00 0.00 N ATOM 266 CA VAL A 21 1.972 -16.195 0.179 1.00 0.00 C ATOM 267 C VAL A 21 0.479 -16.226 -0.126 1.00 0.00 C ATOM 268 O VAL A 21 -0.297 -15.462 0.448 1.00 0.00 O ATOM 269 CB VAL A 21 2.265 -17.148 1.354 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.816 -18.562 1.019 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.744 -17.118 1.707 1.00 0.00 C ATOM 0 H VAL A 21 1.957 -14.402 1.266 1.00 0.00 H new ATOM 0 HA VAL A 21 2.525 -16.530 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 21 1.701 -16.810 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.031 -19.221 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.744 -18.566 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.351 -18.914 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.933 -17.797 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.331 -17.430 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.029 -16.106 1.993 1.00 0.00 H new ATOM 281 N GLU A 22 0.084 -17.114 -1.032 1.00 0.00 N ATOM 282 CA GLU A 22 -1.318 -17.243 -1.413 1.00 0.00 C ATOM 283 C GLU A 22 -2.209 -17.359 -0.180 1.00 0.00 C ATOM 284 O GLU A 22 -1.822 -17.955 0.825 1.00 0.00 O ATOM 285 CB GLU A 22 -1.514 -18.465 -2.314 1.00 0.00 C ATOM 286 CG GLU A 22 -1.295 -18.175 -3.789 1.00 0.00 C ATOM 287 CD GLU A 22 -1.941 -19.211 -4.689 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.674 -20.415 -4.493 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.713 -18.817 -5.589 1.00 0.00 O ATOM 0 H GLU A 22 0.714 -17.754 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.603 -16.345 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.826 -19.251 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.524 -18.851 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.699 -17.191 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.225 -18.138 -3.993 1.00 0.00 H new ATOM 296 N GLY A 23 -3.405 -16.784 -0.264 1.00 0.00 N ATOM 297 CA GLY A 23 -4.332 -16.832 0.851 1.00 0.00 C ATOM 298 C GLY A 23 -4.057 -15.755 1.881 1.00 0.00 C ATOM 299 O GLY A 23 -4.978 -15.094 2.359 1.00 0.00 O ATOM 0 H GLY A 23 -3.748 -16.286 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.350 -16.722 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.271 -17.810 1.328 1.00 0.00 H new ATOM 303 N ALA A 24 -2.785 -15.577 2.225 1.00 0.00 N ATOM 304 CA ALA A 24 -2.392 -14.572 3.204 1.00 0.00 C ATOM 305 C ALA A 24 -2.757 -13.170 2.729 1.00 0.00 C ATOM 306 O ALA A 24 -3.359 -12.999 1.668 1.00 0.00 O ATOM 307 CB ALA A 24 -0.899 -14.664 3.484 1.00 0.00 C ATOM 0 H ALA A 24 -2.010 -16.116 1.840 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.937 -14.768 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.619 -13.907 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.662 -15.653 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.345 -14.497 2.560 1.00 0.00 H new ATOM 313 N THR A 25 -2.390 -12.167 3.521 1.00 0.00 N ATOM 314 CA THR A 25 -2.681 -10.780 3.182 1.00 0.00 C ATOM 315 C THR A 25 -1.399 -9.994 2.933 1.00 0.00 C ATOM 316 O THR A 25 -0.590 -9.804 3.841 1.00 0.00 O ATOM 317 CB THR A 25 -3.486 -10.086 4.297 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.596 -10.905 4.682 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.989 -8.726 3.836 1.00 0.00 C ATOM 0 H THR A 25 -1.891 -12.290 4.402 1.00 0.00 H new ATOM 0 HA THR A 25 -3.277 -10.797 2.270 1.00 0.00 H new ATOM 0 HB THR A 25 -2.827 -9.941 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.102 -10.458 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.554 -8.255 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.141 -8.095 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.633 -8.852 2.966 1.00 0.00 H new ATOM 327 N ALA A 26 -1.220 -9.539 1.697 1.00 0.00 N ATOM 328 CA ALA A 26 -0.037 -8.771 1.330 1.00 0.00 C ATOM 329 C ALA A 26 0.164 -7.588 2.271 1.00 0.00 C ATOM 330 O ALA A 26 -0.670 -7.323 3.137 1.00 0.00 O ATOM 331 CB ALA A 26 -0.146 -8.290 -0.110 1.00 0.00 C ATOM 0 H ALA A 26 -1.879 -9.689 0.933 1.00 0.00 H new ATOM 0 HA ALA A 26 0.831 -9.424 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.744 -7.718 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.233 -9.149 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.028 -7.658 -0.217 1.00 0.00 H new ATOM 337 N MET A 27 1.275 -6.880 2.095 1.00 0.00 N ATOM 338 CA MET A 27 1.584 -5.724 2.929 1.00 0.00 C ATOM 339 C MET A 27 2.315 -4.654 2.125 1.00 0.00 C ATOM 340 O MET A 27 3.488 -4.812 1.785 1.00 0.00 O ATOM 341 CB MET A 27 2.433 -6.147 4.129 1.00 0.00 C ATOM 342 CG MET A 27 2.819 -4.991 5.038 1.00 0.00 C ATOM 343 SD MET A 27 1.483 -4.502 6.146 1.00 0.00 S ATOM 344 CE MET A 27 0.740 -3.166 5.212 1.00 0.00 C ATOM 0 H MET A 27 1.976 -7.086 1.383 1.00 0.00 H new ATOM 0 HA MET A 27 0.644 -5.304 3.288 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.883 -6.887 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.339 -6.634 3.769 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.690 -5.274 5.629 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.111 -4.136 4.428 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.156 -2.818 5.725 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.451 -2.344 5.124 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.473 -3.522 4.217 1.00 0.00 H new ATOM 354 N LEU A 28 1.616 -3.565 1.825 1.00 0.00 N ATOM 355 CA LEU A 28 2.199 -2.468 1.061 1.00 0.00 C ATOM 356 C LEU A 28 1.967 -1.132 1.761 1.00 0.00 C ATOM 357 O LEU A 28 0.826 -0.714 1.958 1.00 0.00 O ATOM 358 CB LEU A 28 1.605 -2.429 -0.348 1.00 0.00 C ATOM 359 CG LEU A 28 1.897 -3.640 -1.234 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.833 -3.783 -2.311 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.280 -3.521 -1.859 1.00 0.00 C ATOM 0 H LEU A 28 0.645 -3.418 2.099 1.00 0.00 H new ATOM 0 HA LEU A 28 3.273 -2.638 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.524 -2.320 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.976 -1.537 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 28 1.877 -4.535 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.058 -4.650 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.143 -3.915 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.820 -2.887 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.472 -4.391 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.328 -2.618 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.032 -3.469 -1.072 1.00 0.00 H new ATOM 373 N TRP A 29 3.055 -0.467 2.131 1.00 0.00 N ATOM 374 CA TRP A 29 2.969 0.822 2.807 1.00 0.00 C ATOM 375 C TRP A 29 3.816 1.869 2.092 1.00 0.00 C ATOM 376 O TRP A 29 4.671 1.534 1.271 1.00 0.00 O ATOM 377 CB TRP A 29 3.422 0.690 4.262 1.00 0.00 C ATOM 378 CG TRP A 29 4.890 0.425 4.406 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.508 -0.793 4.395 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.923 1.400 4.584 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.864 -0.633 4.555 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.144 0.702 4.672 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.937 2.795 4.674 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.362 1.353 4.849 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.146 3.439 4.850 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.346 2.719 4.935 1.00 0.00 C ATOM 0 H TRP A 29 4.007 -0.799 1.974 1.00 0.00 H new ATOM 0 HA TRP A 29 1.929 1.146 2.786 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.171 1.606 4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.866 -0.119 4.736 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.006 -1.742 4.278 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.550 -1.387 4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.019 3.359 4.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.287 0.800 4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.167 4.516 4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.275 3.252 5.071 1.00 0.00 H new ATOM 397 N CYS A 30 3.573 3.136 2.407 1.00 0.00 N ATOM 398 CA CYS A 30 4.314 4.233 1.793 1.00 0.00 C ATOM 399 C CYS A 30 4.084 5.536 2.551 1.00 0.00 C ATOM 400 O CYS A 30 2.945 5.919 2.815 1.00 0.00 O ATOM 401 CB CYS A 30 3.900 4.399 0.330 1.00 0.00 C ATOM 402 SG CYS A 30 2.142 4.755 0.097 1.00 0.00 S ATOM 0 H CYS A 30 2.869 3.430 3.084 1.00 0.00 H new ATOM 0 HA CYS A 30 5.376 3.992 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.485 5.205 -0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.150 3.488 -0.213 1.00 0.00 H new ATOM 0 HG CYS A 30 1.704 5.455 1.101 1.00 0.00 H new ATOM 408 N GLU A 31 5.174 6.212 2.900 1.00 0.00 N ATOM 409 CA GLU A 31 5.090 7.471 3.631 1.00 0.00 C ATOM 410 C GLU A 31 4.962 8.650 2.670 1.00 0.00 C ATOM 411 O GLU A 31 5.267 8.534 1.482 1.00 0.00 O ATOM 412 CB GLU A 31 6.323 7.655 4.518 1.00 0.00 C ATOM 413 CG GLU A 31 6.157 7.084 5.916 1.00 0.00 C ATOM 414 CD GLU A 31 7.393 7.273 6.774 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.053 8.324 6.639 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.700 6.370 7.580 1.00 0.00 O ATOM 0 H GLU A 31 6.125 5.909 2.689 1.00 0.00 H new ATOM 0 HA GLU A 31 4.200 7.438 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.179 7.179 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.551 8.718 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.306 7.562 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.927 6.021 5.845 1.00 0.00 H new ATOM 423 N LEU A 32 4.506 9.784 3.192 1.00 0.00 N ATOM 424 CA LEU A 32 4.336 10.985 2.381 1.00 0.00 C ATOM 425 C LEU A 32 4.721 12.232 3.169 1.00 0.00 C ATOM 426 O LEU A 32 4.542 12.291 4.386 1.00 0.00 O ATOM 427 CB LEU A 32 2.888 11.098 1.901 1.00 0.00 C ATOM 428 CG LEU A 32 2.259 9.815 1.356 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.759 9.809 1.605 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.556 9.664 -0.129 1.00 0.00 C ATOM 0 H LEU A 32 4.248 9.897 4.172 1.00 0.00 H new ATOM 0 HA LEU A 32 4.994 10.907 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.278 11.454 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.843 11.860 1.123 1.00 0.00 H new ATOM 0 HG LEU A 32 2.697 8.966 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.328 8.889 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.568 9.869 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.304 10.665 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.101 8.746 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.146 10.516 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.634 9.622 -0.282 1.00 0.00 H new ATOM 442 N SER A 33 5.250 13.230 2.467 1.00 0.00 N ATOM 443 CA SER A 33 5.662 14.476 3.101 1.00 0.00 C ATOM 444 C SER A 33 4.551 15.028 3.988 1.00 0.00 C ATOM 445 O SER A 33 4.792 15.865 4.859 1.00 0.00 O ATOM 446 CB SER A 33 6.045 15.510 2.041 1.00 0.00 C ATOM 447 OG SER A 33 6.211 16.794 2.617 1.00 0.00 O ATOM 0 H SER A 33 5.403 13.199 1.459 1.00 0.00 H new ATOM 0 HA SER A 33 6.531 14.267 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.969 15.206 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.273 15.550 1.272 1.00 0.00 H new ATOM 0 HG SER A 33 6.457 17.436 1.919 1.00 0.00 H new ATOM 453 N LYS A 34 3.331 14.554 3.761 1.00 0.00 N ATOM 454 CA LYS A 34 2.179 14.997 4.538 1.00 0.00 C ATOM 455 C LYS A 34 0.995 14.056 4.342 1.00 0.00 C ATOM 456 O LYS A 34 0.835 13.458 3.278 1.00 0.00 O ATOM 457 CB LYS A 34 1.785 16.421 4.138 1.00 0.00 C ATOM 458 CG LYS A 34 1.774 16.650 2.637 1.00 0.00 C ATOM 459 CD LYS A 34 0.751 17.701 2.240 1.00 0.00 C ATOM 460 CE LYS A 34 -0.611 17.079 1.974 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.655 18.113 1.734 1.00 0.00 N ATOM 0 H LYS A 34 3.114 13.862 3.044 1.00 0.00 H new ATOM 0 HA LYS A 34 2.458 14.986 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.795 16.641 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.479 17.124 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.765 16.964 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.551 15.713 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.664 18.444 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.094 18.225 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.547 16.420 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.900 16.461 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.569 17.649 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.735 18.726 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.392 18.687 0.907 1.00 0.00 H new ATOM 475 N VAL A 35 0.167 13.931 5.374 1.00 0.00 N ATOM 476 CA VAL A 35 -1.005 13.065 5.313 1.00 0.00 C ATOM 477 C VAL A 35 -1.997 13.555 4.264 1.00 0.00 C ATOM 478 O VAL A 35 -2.500 14.675 4.346 1.00 0.00 O ATOM 479 CB VAL A 35 -1.715 12.985 6.678 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.113 14.374 7.154 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.929 12.073 6.593 1.00 0.00 C ATOM 0 H VAL A 35 0.286 14.418 6.262 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.651 12.072 5.037 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.022 12.562 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.613 14.298 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.222 14.993 7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.790 14.827 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.419 12.028 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.627 12.464 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.612 11.072 6.299 1.00 0.00 H new ATOM 491 N ALA A 36 -2.273 12.708 3.278 1.00 0.00 N ATOM 492 CA ALA A 36 -3.207 13.053 2.214 1.00 0.00 C ATOM 493 C ALA A 36 -3.929 11.815 1.694 1.00 0.00 C ATOM 494 O ALA A 36 -3.501 10.681 1.910 1.00 0.00 O ATOM 495 CB ALA A 36 -2.477 13.756 1.079 1.00 0.00 C ATOM 0 H ALA A 36 -1.863 11.778 3.194 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.955 13.731 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.187 14.008 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.013 14.668 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.708 13.096 0.677 1.00 0.00 H new ATOM 501 N PRO A 37 -5.052 12.034 0.994 1.00 0.00 N ATOM 502 CA PRO A 37 -5.858 10.947 0.429 1.00 0.00 C ATOM 503 C PRO A 37 -5.156 10.246 -0.729 1.00 0.00 C ATOM 504 O PRO A 37 -5.082 10.777 -1.837 1.00 0.00 O ATOM 505 CB PRO A 37 -7.120 11.660 -0.063 1.00 0.00 C ATOM 506 CG PRO A 37 -6.687 13.062 -0.320 1.00 0.00 C ATOM 507 CD PRO A 37 -5.621 13.360 0.698 1.00 0.00 C ATOM 0 HA PRO A 37 -6.053 10.162 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.511 11.194 -0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.913 11.621 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.300 13.171 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.524 13.753 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.868 14.042 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.037 13.827 1.591 1.00 0.00 H new ATOM 515 N VAL A 38 -4.641 9.049 -0.465 1.00 0.00 N ATOM 516 CA VAL A 38 -3.946 8.274 -1.486 1.00 0.00 C ATOM 517 C VAL A 38 -4.925 7.440 -2.304 1.00 0.00 C ATOM 518 O VAL A 38 -6.103 7.337 -1.964 1.00 0.00 O ATOM 519 CB VAL A 38 -2.891 7.342 -0.862 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.862 8.147 -0.082 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.557 6.306 0.031 1.00 0.00 C ATOM 0 H VAL A 38 -4.692 8.595 0.447 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.447 8.989 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.374 6.817 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.125 7.472 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.363 8.847 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.360 8.700 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.797 5.656 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.101 6.810 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.251 5.709 -0.560 1.00 0.00 H new ATOM 531 N GLU A 39 -4.429 6.845 -3.385 1.00 0.00 N ATOM 532 CA GLU A 39 -5.261 6.019 -4.252 1.00 0.00 C ATOM 533 C GLU A 39 -4.499 4.783 -4.720 1.00 0.00 C ATOM 534 O GLU A 39 -3.615 4.872 -5.572 1.00 0.00 O ATOM 535 CB GLU A 39 -5.736 6.828 -5.460 1.00 0.00 C ATOM 536 CG GLU A 39 -6.270 8.204 -5.101 1.00 0.00 C ATOM 537 CD GLU A 39 -6.534 9.065 -6.321 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.456 8.733 -7.094 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.817 10.072 -6.502 1.00 0.00 O ATOM 0 H GLU A 39 -3.456 6.920 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.129 5.693 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.908 6.941 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.516 6.269 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.193 8.094 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.554 8.709 -4.453 1.00 0.00 H new ATOM 546 N TRP A 40 -4.848 3.632 -4.158 1.00 0.00 N ATOM 547 CA TRP A 40 -4.197 2.377 -4.517 1.00 0.00 C ATOM 548 C TRP A 40 -4.783 1.810 -5.805 1.00 0.00 C ATOM 549 O TRP A 40 -6.001 1.708 -5.952 1.00 0.00 O ATOM 550 CB TRP A 40 -4.343 1.360 -3.384 1.00 0.00 C ATOM 551 CG TRP A 40 -3.774 1.835 -2.082 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.384 2.644 -1.167 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.479 1.532 -1.552 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.547 2.862 -0.099 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.372 2.190 -0.311 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.400 0.768 -2.003 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.229 2.106 0.480 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.266 0.686 -1.217 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.188 1.351 0.014 1.00 0.00 C ATOM 0 H TRP A 40 -5.578 3.541 -3.452 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.138 2.579 -4.679 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.399 1.128 -3.248 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.848 0.433 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.379 3.053 -1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.765 3.432 0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.451 0.250 -2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.167 2.619 1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.574 0.099 -1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.711 1.266 0.606 1.00 0.00 H new ATOM 570 N ARG A 41 -3.908 1.441 -6.736 1.00 0.00 N ATOM 571 CA ARG A 41 -4.340 0.884 -8.012 1.00 0.00 C ATOM 572 C ARG A 41 -3.460 -0.295 -8.417 1.00 0.00 C ATOM 573 O ARG A 41 -2.333 -0.435 -7.941 1.00 0.00 O ATOM 574 CB ARG A 41 -4.302 1.959 -9.100 1.00 0.00 C ATOM 575 CG ARG A 41 -5.599 2.741 -9.230 1.00 0.00 C ATOM 576 CD ARG A 41 -5.360 4.125 -9.813 1.00 0.00 C ATOM 577 NE ARG A 41 -6.516 5.000 -9.638 1.00 0.00 N ATOM 578 CZ ARG A 41 -6.564 6.252 -10.080 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.526 6.772 -10.721 1.00 0.00 N ATOM 580 NH2 ARG A 41 -7.652 6.985 -9.882 1.00 0.00 N ATOM 0 H ARG A 41 -2.896 1.518 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.364 0.528 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.489 2.653 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.074 1.488 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.294 2.192 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.069 2.834 -8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.490 4.574 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.130 4.036 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.331 4.630 -9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.689 6.211 -10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.565 7.733 -11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.452 6.587 -9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.688 7.946 -10.222 1.00 0.00 H new ATOM 594 N LYS A 42 -3.983 -1.142 -9.296 1.00 0.00 N ATOM 595 CA LYS A 42 -3.247 -2.310 -9.766 1.00 0.00 C ATOM 596 C LYS A 42 -3.333 -2.433 -11.284 1.00 0.00 C ATOM 597 O LYS A 42 -4.161 -3.175 -11.811 1.00 0.00 O ATOM 598 CB LYS A 42 -3.791 -3.580 -9.109 1.00 0.00 C ATOM 599 CG LYS A 42 -2.953 -4.816 -9.388 1.00 0.00 C ATOM 600 CD LYS A 42 -3.447 -6.014 -8.595 1.00 0.00 C ATOM 601 CE LYS A 42 -2.911 -7.319 -9.165 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.572 -7.674 -10.452 1.00 0.00 N ATOM 0 H LYS A 42 -4.915 -1.042 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.201 -2.185 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.848 -3.426 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.808 -3.754 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.984 -5.045 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.912 -4.616 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.137 -5.916 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.537 -6.033 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.836 -7.233 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.066 -8.121 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.478 -8.696 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.580 -7.423 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.120 -7.152 -11.230 1.00 0.00 H new ATOM 616 N GLY A 43 -2.470 -1.700 -11.983 1.00 0.00 N ATOM 617 CA GLY A 43 -2.465 -1.743 -13.433 1.00 0.00 C ATOM 618 C GLY A 43 -3.840 -1.508 -14.025 1.00 0.00 C ATOM 619 O GLY A 43 -4.448 -0.454 -13.838 1.00 0.00 O ATOM 0 H GLY A 43 -1.775 -1.078 -11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.776 -0.989 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.092 -2.712 -13.763 1.00 0.00 H new ATOM 623 N PRO A 44 -4.351 -2.506 -14.760 1.00 0.00 N ATOM 624 CA PRO A 44 -5.669 -2.426 -15.398 1.00 0.00 C ATOM 625 C PRO A 44 -6.807 -2.460 -14.383 1.00 0.00 C ATOM 626 O PRO A 44 -7.953 -2.157 -14.713 1.00 0.00 O ATOM 627 CB PRO A 44 -5.709 -3.671 -16.288 1.00 0.00 C ATOM 628 CG PRO A 44 -4.769 -4.629 -15.641 1.00 0.00 C ATOM 629 CD PRO A 44 -3.683 -3.791 -15.025 1.00 0.00 C ATOM 0 HA PRO A 44 -5.802 -1.491 -15.943 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.716 -4.083 -16.347 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.399 -3.439 -17.307 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.279 -5.225 -14.884 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.358 -5.326 -16.371 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.299 -4.241 -14.109 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.836 -3.672 -15.700 1.00 0.00 H new ATOM 637 N GLU A 45 -6.482 -2.829 -13.148 1.00 0.00 N ATOM 638 CA GLU A 45 -7.478 -2.901 -12.086 1.00 0.00 C ATOM 639 C GLU A 45 -7.525 -1.598 -11.293 1.00 0.00 C ATOM 640 O GLU A 45 -6.622 -0.768 -11.391 1.00 0.00 O ATOM 641 CB GLU A 45 -7.172 -4.071 -11.148 1.00 0.00 C ATOM 642 CG GLU A 45 -7.785 -5.387 -11.597 1.00 0.00 C ATOM 643 CD GLU A 45 -7.678 -6.470 -10.542 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.541 -6.862 -10.205 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.732 -6.927 -10.052 1.00 0.00 O ATOM 0 H GLU A 45 -5.537 -3.083 -12.859 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.452 -3.060 -12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.091 -4.191 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.538 -3.831 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.835 -5.229 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.289 -5.722 -12.508 1.00 0.00 H new ATOM 652 N ASN A 46 -8.584 -1.427 -10.509 1.00 0.00 N ATOM 653 CA ASN A 46 -8.749 -0.225 -9.700 1.00 0.00 C ATOM 654 C ASN A 46 -9.073 -0.584 -8.252 1.00 0.00 C ATOM 655 O ASN A 46 -10.176 -1.039 -7.946 1.00 0.00 O ATOM 656 CB ASN A 46 -9.858 0.656 -10.279 1.00 0.00 C ATOM 657 CG ASN A 46 -11.137 -0.118 -10.534 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.983 -0.251 -9.649 1.00 0.00 O ATOM 659 ND2 ASN A 46 -11.284 -0.633 -11.749 1.00 0.00 N ATOM 0 H ASN A 46 -9.340 -2.105 -10.417 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.809 0.327 -9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.064 1.476 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.514 1.102 -11.212 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.124 -1.164 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.557 -0.498 -12.452 1.00 0.00 H new ATOM 666 N LEU A 47 -8.105 -0.375 -7.367 1.00 0.00 N ATOM 667 CA LEU A 47 -8.286 -0.676 -5.951 1.00 0.00 C ATOM 668 C LEU A 47 -8.762 0.557 -5.189 1.00 0.00 C ATOM 669 O LEU A 47 -8.609 1.685 -5.657 1.00 0.00 O ATOM 670 CB LEU A 47 -6.978 -1.189 -5.347 1.00 0.00 C ATOM 671 CG LEU A 47 -6.114 -2.060 -6.259 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.751 -2.304 -5.630 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.811 -3.380 -6.554 1.00 0.00 C ATOM 0 H LEU A 47 -7.187 0.001 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.048 -1.451 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.386 -0.330 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.215 -1.761 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.967 -1.531 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.150 -2.926 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.247 -1.350 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.877 -2.811 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.181 -3.987 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.989 -3.914 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.763 -3.186 -7.049 1.00 0.00 H new ATOM 685 N ARG A 48 -9.337 0.334 -4.012 1.00 0.00 N ATOM 686 CA ARG A 48 -9.834 1.426 -3.185 1.00 0.00 C ATOM 687 C ARG A 48 -10.321 0.908 -1.835 1.00 0.00 C ATOM 688 O ARG A 48 -10.669 -0.265 -1.697 1.00 0.00 O ATOM 689 CB ARG A 48 -10.969 2.161 -3.901 1.00 0.00 C ATOM 690 CG ARG A 48 -12.164 1.275 -4.217 1.00 0.00 C ATOM 691 CD ARG A 48 -13.328 2.085 -4.765 1.00 0.00 C ATOM 692 NE ARG A 48 -14.007 2.844 -3.718 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.847 2.300 -2.843 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.108 1.001 -2.890 1.00 0.00 N ATOM 695 NH2 ARG A 48 -15.426 3.057 -1.920 1.00 0.00 N ATOM 0 H ARG A 48 -9.470 -0.594 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.012 2.121 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.299 2.994 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.587 2.586 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.874 0.516 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.478 0.750 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.964 2.770 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.040 1.416 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.827 3.846 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.664 0.417 -3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.753 0.586 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.227 4.057 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.071 2.639 -1.249 1.00 0.00 H new ATOM 709 N ASP A 49 -10.342 1.790 -0.841 1.00 0.00 N ATOM 710 CA ASP A 49 -10.787 1.422 0.498 1.00 0.00 C ATOM 711 C ASP A 49 -12.121 0.684 0.444 1.00 0.00 C ATOM 712 O ASP A 49 -13.163 1.283 0.183 1.00 0.00 O ATOM 713 CB ASP A 49 -10.914 2.668 1.376 1.00 0.00 C ATOM 714 CG ASP A 49 -11.851 3.701 0.783 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.385 4.529 -0.027 1.00 0.00 O ATOM 716 OD2 ASP A 49 -13.051 3.682 1.129 1.00 0.00 O ATOM 0 H ASP A 49 -10.056 2.764 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.042 0.756 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.275 2.378 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.929 3.113 1.515 1.00 0.00 H new ATOM 721 N GLY A 50 -12.079 -0.622 0.693 1.00 0.00 N ATOM 722 CA GLY A 50 -13.291 -1.421 0.667 1.00 0.00 C ATOM 723 C GLY A 50 -13.225 -2.604 1.612 1.00 0.00 C ATOM 724 O GLY A 50 -12.277 -2.738 2.385 1.00 0.00 O ATOM 0 H GLY A 50 -11.228 -1.140 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.142 -0.794 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.465 -1.779 -0.348 1.00 0.00 H new ATOM 728 N ASP A 51 -14.236 -3.463 1.551 1.00 0.00 N ATOM 729 CA ASP A 51 -14.291 -4.642 2.409 1.00 0.00 C ATOM 730 C ASP A 51 -13.057 -5.517 2.209 1.00 0.00 C ATOM 731 O ASP A 51 -12.205 -5.617 3.091 1.00 0.00 O ATOM 732 CB ASP A 51 -15.557 -5.450 2.122 1.00 0.00 C ATOM 733 CG ASP A 51 -16.820 -4.702 2.503 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.743 -3.820 3.384 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.884 -4.999 1.922 1.00 0.00 O ATOM 0 H ASP A 51 -15.029 -3.366 0.917 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.312 -4.306 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.592 -5.700 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.516 -6.391 2.670 1.00 0.00 H new ATOM 740 N ARG A 52 -12.970 -6.149 1.043 1.00 0.00 N ATOM 741 CA ARG A 52 -11.843 -7.018 0.728 1.00 0.00 C ATOM 742 C ARG A 52 -10.519 -6.284 0.924 1.00 0.00 C ATOM 743 O ARG A 52 -9.572 -6.833 1.488 1.00 0.00 O ATOM 744 CB ARG A 52 -11.948 -7.524 -0.712 1.00 0.00 C ATOM 745 CG ARG A 52 -12.094 -6.413 -1.739 1.00 0.00 C ATOM 746 CD ARG A 52 -12.443 -6.965 -3.112 1.00 0.00 C ATOM 747 NE ARG A 52 -11.455 -7.933 -3.580 1.00 0.00 N ATOM 748 CZ ARG A 52 -11.314 -8.282 -4.854 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.094 -7.745 -5.782 1.00 0.00 N ATOM 750 NH2 ARG A 52 -10.391 -9.169 -5.202 1.00 0.00 N ATOM 0 H ARG A 52 -13.666 -6.075 0.301 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.872 -7.869 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.060 -8.111 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.803 -8.195 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.870 -5.718 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.164 -5.847 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.424 -7.438 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.513 -6.144 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.839 -8.365 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.804 -7.062 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.984 -8.015 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.789 -9.584 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.284 -9.436 -6.181 1.00 0.00 H new ATOM 764 N TYR A 53 -10.462 -5.043 0.456 1.00 0.00 N ATOM 765 CA TYR A 53 -9.254 -4.235 0.578 1.00 0.00 C ATOM 766 C TYR A 53 -9.265 -3.431 1.875 1.00 0.00 C ATOM 767 O TYR A 53 -9.934 -2.402 1.974 1.00 0.00 O ATOM 768 CB TYR A 53 -9.124 -3.291 -0.619 1.00 0.00 C ATOM 769 CG TYR A 53 -8.777 -3.997 -1.911 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.481 -4.432 -2.161 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.744 -4.226 -2.881 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.159 -5.076 -3.340 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.431 -4.871 -4.062 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.138 -5.294 -4.287 1.00 0.00 C ATOM 775 OH TYR A 53 -7.822 -5.935 -5.463 1.00 0.00 O ATOM 0 H TYR A 53 -11.238 -4.574 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.397 -4.908 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.062 -2.752 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.357 -2.548 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.713 -4.264 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.757 -3.894 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.147 -5.407 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.195 -5.043 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.624 -6.010 -6.021 1.00 0.00 H new ATOM 785 N ILE A 54 -8.519 -3.908 2.865 1.00 0.00 N ATOM 786 CA ILE A 54 -8.440 -3.233 4.155 1.00 0.00 C ATOM 787 C ILE A 54 -7.378 -2.140 4.140 1.00 0.00 C ATOM 788 O ILE A 54 -6.205 -2.393 4.421 1.00 0.00 O ATOM 789 CB ILE A 54 -8.124 -4.225 5.290 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.177 -5.334 5.336 1.00 0.00 C ATOM 791 CG2 ILE A 54 -8.054 -3.498 6.624 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.838 -6.449 6.300 1.00 0.00 C ATOM 0 H ILE A 54 -7.961 -4.759 2.799 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.416 -2.784 4.337 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.153 -4.680 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.137 -4.901 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.296 -5.752 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.830 -4.212 7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.270 -2.741 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.011 -3.019 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.628 -7.200 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.894 -6.908 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.748 -6.044 7.308 1.00 0.00 H new ATOM 804 N LEU A 55 -7.795 -0.922 3.811 1.00 0.00 N ATOM 805 CA LEU A 55 -6.879 0.213 3.761 1.00 0.00 C ATOM 806 C LEU A 55 -6.799 0.908 5.117 1.00 0.00 C ATOM 807 O LEU A 55 -7.785 0.974 5.851 1.00 0.00 O ATOM 808 CB LEU A 55 -7.329 1.209 2.691 1.00 0.00 C ATOM 809 CG LEU A 55 -7.024 0.822 1.243 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.880 -0.360 0.815 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.245 2.007 0.316 1.00 0.00 C ATOM 0 H LEU A 55 -8.761 -0.695 3.575 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.888 -0.162 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.405 1.355 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.857 2.170 2.896 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.976 0.528 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.649 -0.621 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.671 -1.213 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.934 -0.094 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.023 1.713 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.283 2.333 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.588 2.826 0.609 1.00 0.00 H new ATOM 823 N ARG A 56 -5.618 1.425 5.441 1.00 0.00 N ATOM 824 CA ARG A 56 -5.410 2.116 6.708 1.00 0.00 C ATOM 825 C ARG A 56 -4.530 3.348 6.517 1.00 0.00 C ATOM 826 O ARG A 56 -3.636 3.358 5.671 1.00 0.00 O ATOM 827 CB ARG A 56 -4.769 1.173 7.728 1.00 0.00 C ATOM 828 CG ARG A 56 -5.710 0.090 8.231 1.00 0.00 C ATOM 829 CD ARG A 56 -5.032 -0.805 9.256 1.00 0.00 C ATOM 830 NE ARG A 56 -5.902 -1.894 9.693 1.00 0.00 N ATOM 831 CZ ARG A 56 -5.530 -2.829 10.560 1.00 0.00 C ATOM 832 NH1 ARG A 56 -4.311 -2.808 11.080 1.00 0.00 N ATOM 833 NH2 ARG A 56 -6.379 -3.787 10.909 1.00 0.00 N ATOM 0 H ARG A 56 -4.792 1.379 4.845 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.382 2.438 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.895 0.703 7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.414 1.757 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.592 0.551 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.054 -0.513 7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.119 -1.220 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.737 -0.208 10.119 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.847 -1.939 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.656 -2.073 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.028 -3.527 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.318 -3.806 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.093 -4.505 11.575 1.00 0.00 H new ATOM 847 N GLN A 57 -4.792 4.384 7.307 1.00 0.00 N ATOM 848 CA GLN A 57 -4.025 5.621 7.223 1.00 0.00 C ATOM 849 C GLN A 57 -4.070 6.381 8.545 1.00 0.00 C ATOM 850 O GLN A 57 -5.098 6.951 8.908 1.00 0.00 O ATOM 851 CB GLN A 57 -4.563 6.504 6.096 1.00 0.00 C ATOM 852 CG GLN A 57 -3.697 7.720 5.810 1.00 0.00 C ATOM 853 CD GLN A 57 -4.313 8.646 4.779 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.493 8.528 4.449 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.515 9.574 4.264 1.00 0.00 N ATOM 0 H GLN A 57 -5.529 4.391 8.012 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.988 5.362 7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.649 5.908 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.568 6.837 6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.534 8.271 6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.719 7.390 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.543 9.636 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.874 10.225 3.566 1.00 0.00 H new ATOM 864 N GLU A 58 -2.949 6.382 9.260 1.00 0.00 N ATOM 865 CA GLU A 58 -2.863 7.071 10.542 1.00 0.00 C ATOM 866 C GLU A 58 -2.000 8.325 10.430 1.00 0.00 C ATOM 867 O GLU A 58 -1.348 8.732 11.390 1.00 0.00 O ATOM 868 CB GLU A 58 -2.288 6.138 11.610 1.00 0.00 C ATOM 869 CG GLU A 58 -3.094 4.864 11.802 1.00 0.00 C ATOM 870 CD GLU A 58 -4.291 5.063 12.711 1.00 0.00 C ATOM 871 OE1 GLU A 58 -4.096 5.132 13.943 1.00 0.00 O ATOM 872 OE2 GLU A 58 -5.423 5.150 12.191 1.00 0.00 O ATOM 0 H GLU A 58 -2.089 5.914 8.973 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.870 7.369 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.266 5.874 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.237 6.673 12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.435 4.505 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.450 4.090 12.220 1.00 0.00 H new ATOM 879 N GLY A 59 -2.002 8.933 9.247 1.00 0.00 N ATOM 880 CA GLY A 59 -1.216 10.133 9.029 1.00 0.00 C ATOM 881 C GLY A 59 -0.513 10.130 7.686 1.00 0.00 C ATOM 882 O GLY A 59 -1.143 9.930 6.647 1.00 0.00 O ATOM 0 H GLY A 59 -2.534 8.616 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.866 11.006 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.475 10.228 9.823 1.00 0.00 H new ATOM 886 N THR A 60 0.797 10.354 7.705 1.00 0.00 N ATOM 887 CA THR A 60 1.586 10.380 6.480 1.00 0.00 C ATOM 888 C THR A 60 1.732 8.981 5.891 1.00 0.00 C ATOM 889 O THR A 60 1.711 8.805 4.672 1.00 0.00 O ATOM 890 CB THR A 60 2.988 10.970 6.726 1.00 0.00 C ATOM 891 OG1 THR A 60 3.574 10.371 7.887 1.00 0.00 O ATOM 892 CG2 THR A 60 2.915 12.478 6.909 1.00 0.00 C ATOM 0 H THR A 60 1.334 10.520 8.556 1.00 0.00 H new ATOM 0 HA THR A 60 1.052 11.015 5.774 1.00 0.00 H new ATOM 0 HB THR A 60 3.607 10.755 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.466 10.750 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.916 12.873 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.495 12.933 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.281 12.710 7.765 1.00 0.00 H new ATOM 900 N ARG A 61 1.879 7.989 6.763 1.00 0.00 N ATOM 901 CA ARG A 61 2.029 6.606 6.328 1.00 0.00 C ATOM 902 C ARG A 61 0.687 6.024 5.895 1.00 0.00 C ATOM 903 O ARG A 61 -0.342 6.277 6.522 1.00 0.00 O ATOM 904 CB ARG A 61 2.626 5.758 7.453 1.00 0.00 C ATOM 905 CG ARG A 61 2.831 4.300 7.073 1.00 0.00 C ATOM 906 CD ARG A 61 2.658 3.382 8.272 1.00 0.00 C ATOM 907 NE ARG A 61 1.512 3.764 9.093 1.00 0.00 N ATOM 908 CZ ARG A 61 0.250 3.649 8.692 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.025 3.165 7.488 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.739 4.018 9.496 1.00 0.00 N ATOM 0 H ARG A 61 1.897 8.117 7.775 1.00 0.00 H new ATOM 0 HA ARG A 61 2.705 6.591 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.584 6.186 7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.971 5.810 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.120 4.022 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.829 4.169 6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.531 2.356 7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.563 3.405 8.879 1.00 0.00 H new ATOM 0 HE ARG A 61 1.690 4.139 10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.733 2.880 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.994 3.078 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.531 4.390 10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.707 3.929 9.187 1.00 0.00 H new ATOM 924 N CYS A 62 0.706 5.245 4.819 1.00 0.00 N ATOM 925 CA CYS A 62 -0.510 4.628 4.300 1.00 0.00 C ATOM 926 C CYS A 62 -0.316 3.128 4.102 1.00 0.00 C ATOM 927 O CYS A 62 0.464 2.700 3.253 1.00 0.00 O ATOM 928 CB CYS A 62 -0.914 5.281 2.978 1.00 0.00 C ATOM 929 SG CYS A 62 -1.285 7.046 3.110 1.00 0.00 S ATOM 0 H CYS A 62 1.550 5.026 4.289 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.305 4.780 5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.109 5.143 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.789 4.765 2.583 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.429 7.293 2.543 1.00 0.00 H new ATOM 935 N GLU A 63 -1.031 2.334 4.894 1.00 0.00 N ATOM 936 CA GLU A 63 -0.935 0.882 4.806 1.00 0.00 C ATOM 937 C GLU A 63 -2.089 0.309 3.989 1.00 0.00 C ATOM 938 O GLU A 63 -3.206 0.829 4.020 1.00 0.00 O ATOM 939 CB GLU A 63 -0.931 0.264 6.206 1.00 0.00 C ATOM 940 CG GLU A 63 0.459 0.100 6.795 1.00 0.00 C ATOM 941 CD GLU A 63 0.544 -1.049 7.781 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.514 -1.463 8.300 1.00 0.00 O ATOM 943 OE2 GLU A 63 1.667 -1.534 8.033 1.00 0.00 O ATOM 0 H GLU A 63 -1.682 2.672 5.603 1.00 0.00 H new ATOM 0 HA GLU A 63 0.001 0.635 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.527 0.889 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.416 -0.711 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.174 -0.065 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.749 1.024 7.294 1.00 0.00 H new ATOM 950 N LEU A 64 -1.812 -0.765 3.257 1.00 0.00 N ATOM 951 CA LEU A 64 -2.826 -1.410 2.430 1.00 0.00 C ATOM 952 C LEU A 64 -2.799 -2.923 2.615 1.00 0.00 C ATOM 953 O LEU A 64 -1.766 -3.563 2.420 1.00 0.00 O ATOM 954 CB LEU A 64 -2.607 -1.061 0.956 1.00 0.00 C ATOM 955 CG LEU A 64 -3.262 -1.998 -0.059 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.736 -1.663 -0.222 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.544 -1.918 -1.399 1.00 0.00 C ATOM 0 H LEU A 64 -0.894 -1.207 3.219 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.803 -1.042 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.980 -0.052 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.534 -1.041 0.763 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.182 -3.019 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.185 -2.340 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.242 -1.772 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.839 -0.636 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.023 -2.591 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.592 -0.897 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.501 -2.208 -1.271 1.00 0.00 H new ATOM 969 N GLN A 65 -3.941 -3.489 2.993 1.00 0.00 N ATOM 970 CA GLN A 65 -4.047 -4.927 3.203 1.00 0.00 C ATOM 971 C GLN A 65 -4.976 -5.561 2.173 1.00 0.00 C ATOM 972 O GLN A 65 -6.122 -5.139 2.014 1.00 0.00 O ATOM 973 CB GLN A 65 -4.556 -5.221 4.615 1.00 0.00 C ATOM 974 CG GLN A 65 -3.445 -5.390 5.639 1.00 0.00 C ATOM 975 CD GLN A 65 -3.907 -5.097 7.054 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.606 -4.115 7.300 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.516 -5.952 7.992 1.00 0.00 N ATOM 0 H GLN A 65 -4.805 -2.973 3.160 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.054 -5.360 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.211 -4.410 4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.160 -6.128 4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.062 -6.409 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.618 -4.726 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.936 -6.753 7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.795 -5.807 8.962 1.00 0.00 H new ATOM 986 N ILE A 66 -4.475 -6.575 1.476 1.00 0.00 N ATOM 987 CA ILE A 66 -5.261 -7.266 0.461 1.00 0.00 C ATOM 988 C ILE A 66 -5.748 -8.619 0.971 1.00 0.00 C ATOM 989 O ILE A 66 -5.099 -9.644 0.760 1.00 0.00 O ATOM 990 CB ILE A 66 -4.450 -7.479 -0.831 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.901 -6.145 -1.340 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.313 -8.144 -1.894 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.597 -6.277 -2.094 1.00 0.00 C ATOM 0 H ILE A 66 -3.529 -6.936 1.595 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.120 -6.632 0.241 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.609 -8.136 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.642 -5.681 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.755 -5.474 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.726 -8.288 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.660 -9.111 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.172 -7.510 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.267 -5.292 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.841 -6.712 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.742 -6.922 -2.961 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.896 -8.613 1.640 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.472 -9.840 2.180 1.00 0.00 C ATOM 1007 C CYS A 67 -7.753 -10.844 1.066 1.00 0.00 C ATOM 1008 O CYS A 67 -8.488 -10.552 0.124 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.761 -9.531 2.942 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.168 -10.737 4.226 1.00 0.00 S ATOM 0 H CYS A 67 -7.446 -7.773 1.821 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.750 -10.280 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.672 -8.546 3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.587 -9.480 2.232 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.273 -10.388 4.815 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.161 -12.029 1.182 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.358 -13.058 0.177 1.00 0.00 C ATOM 1018 C GLY A 68 -6.382 -12.937 -0.976 1.00 0.00 C ATOM 1019 O GLY A 68 -6.735 -12.447 -2.050 1.00 0.00 O ATOM 0 H GLY A 68 -6.549 -12.295 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.249 -14.039 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.377 -12.997 -0.206 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.150 -13.382 -0.755 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.118 -13.320 -1.785 1.00 0.00 C ATOM 1025 C LEU A 69 -4.286 -14.453 -2.793 1.00 0.00 C ATOM 1026 O LEU A 69 -5.008 -15.417 -2.543 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.729 -13.391 -1.147 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.186 -12.081 -0.576 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -1.001 -12.349 0.339 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.792 -11.132 -1.698 1.00 0.00 C ATOM 0 H LEU A 69 -4.841 -13.790 0.128 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.221 -12.372 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.756 -14.130 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.026 -13.757 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.974 -11.609 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.627 -11.405 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.315 -12.991 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.210 -12.844 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.408 -10.205 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.021 -11.596 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.665 -10.914 -2.314 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.612 -14.330 -3.931 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.682 -15.345 -4.975 1.00 0.00 C ATOM 1044 C ALA A 70 -2.707 -15.038 -6.106 1.00 0.00 C ATOM 1045 O ALA A 70 -2.317 -13.889 -6.308 1.00 0.00 O ATOM 1046 CB ALA A 70 -5.102 -15.449 -5.514 1.00 0.00 C ATOM 0 H ALA A 70 -3.011 -13.537 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.399 -16.302 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.141 -16.210 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.779 -15.723 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.404 -14.488 -5.931 1.00 0.00 H new ATOM 1052 N MET A 71 -2.315 -16.074 -6.840 1.00 0.00 N ATOM 1053 CA MET A 71 -1.384 -15.915 -7.951 1.00 0.00 C ATOM 1054 C MET A 71 -1.711 -14.662 -8.758 1.00 0.00 C ATOM 1055 O MET A 71 -0.818 -14.012 -9.301 1.00 0.00 O ATOM 1056 CB MET A 71 -1.425 -17.145 -8.860 1.00 0.00 C ATOM 1057 CG MET A 71 -0.930 -18.415 -8.185 1.00 0.00 C ATOM 1058 SD MET A 71 0.857 -18.619 -8.314 1.00 0.00 S ATOM 1059 CE MET A 71 1.406 -17.718 -6.867 1.00 0.00 C ATOM 0 H MET A 71 -2.628 -17.033 -6.686 1.00 0.00 H new ATOM 0 HA MET A 71 -0.380 -15.810 -7.539 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.448 -17.300 -9.202 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.818 -16.953 -9.745 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.215 -18.397 -7.133 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.424 -19.277 -8.634 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.262 -18.227 -6.425 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.694 -16.707 -7.155 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.596 -17.671 -6.139 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.995 -14.329 -8.832 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.438 -13.154 -9.571 1.00 0.00 C ATOM 1071 C ALA A 72 -2.872 -11.876 -8.961 1.00 0.00 C ATOM 1072 O ALA A 72 -2.369 -11.007 -9.673 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.958 -13.095 -9.608 1.00 0.00 C ATOM 0 H ALA A 72 -3.747 -14.857 -8.389 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.064 -13.235 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.274 -12.212 -10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.345 -13.989 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.345 -13.042 -8.590 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.959 -11.769 -7.640 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.455 -10.597 -6.933 1.00 0.00 C ATOM 1081 C ASP A 73 -1.044 -10.247 -7.398 1.00 0.00 C ATOM 1082 O ASP A 73 -0.700 -9.074 -7.541 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.461 -10.843 -5.424 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.819 -10.585 -4.801 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.254 -9.414 -4.787 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.448 -11.554 -4.329 1.00 0.00 O ATOM 0 H ASP A 73 -3.374 -12.479 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.112 -9.757 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.163 -11.873 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.719 -10.200 -4.951 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.232 -11.273 -7.631 1.00 0.00 N ATOM 1092 CA ALA A 74 1.140 -11.074 -8.080 1.00 0.00 C ATOM 1093 C ALA A 74 1.183 -10.263 -9.371 1.00 0.00 C ATOM 1094 O ALA A 74 0.871 -10.772 -10.446 1.00 0.00 O ATOM 1095 CB ALA A 74 1.832 -12.415 -8.274 1.00 0.00 C ATOM 0 H ALA A 74 -0.501 -12.250 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 74 1.670 -10.512 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.856 -12.251 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.842 -12.959 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.294 -12.997 -9.022 1.00 0.00 H new ATOM 1101 N GLY A 75 1.573 -8.997 -9.256 1.00 0.00 N ATOM 1102 CA GLY A 75 1.649 -8.136 -10.422 1.00 0.00 C ATOM 1103 C GLY A 75 2.434 -6.867 -10.155 1.00 0.00 C ATOM 1104 O GLY A 75 3.664 -6.882 -10.142 1.00 0.00 O ATOM 0 H GLY A 75 1.837 -8.553 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.114 -8.681 -11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.641 -7.875 -10.744 1.00 0.00 H new ATOM 1108 N GLU A 76 1.720 -5.765 -9.944 1.00 0.00 N ATOM 1109 CA GLU A 76 2.359 -4.481 -9.680 1.00 0.00 C ATOM 1110 C GLU A 76 1.350 -3.473 -9.137 1.00 0.00 C ATOM 1111 O GLU A 76 0.422 -3.068 -9.839 1.00 0.00 O ATOM 1112 CB GLU A 76 3.007 -3.936 -10.954 1.00 0.00 C ATOM 1113 CG GLU A 76 3.700 -2.598 -10.760 1.00 0.00 C ATOM 1114 CD GLU A 76 4.680 -2.282 -11.874 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.605 -3.090 -12.099 1.00 0.00 O ATOM 1116 OE2 GLU A 76 4.520 -1.225 -12.521 1.00 0.00 O ATOM 0 H GLU A 76 0.700 -5.736 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 76 3.132 -4.637 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.733 -4.662 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.243 -3.832 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.950 -1.809 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.228 -2.601 -9.807 1.00 0.00 H new ATOM 1123 N TYR A 77 1.538 -3.072 -7.885 1.00 0.00 N ATOM 1124 CA TYR A 77 0.644 -2.113 -7.247 1.00 0.00 C ATOM 1125 C TYR A 77 1.214 -0.700 -7.326 1.00 0.00 C ATOM 1126 O TYR A 77 2.413 -0.490 -7.138 1.00 0.00 O ATOM 1127 CB TYR A 77 0.407 -2.499 -5.786 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.389 -3.773 -5.618 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.137 -5.000 -6.002 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.668 -3.749 -5.075 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.588 -6.167 -5.851 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.399 -4.911 -4.919 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.855 -6.117 -5.308 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.581 -7.276 -5.155 1.00 0.00 O ATOM 0 H TYR A 77 2.302 -3.396 -7.291 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.307 -2.131 -7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.370 -2.614 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.116 -1.685 -5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.129 -5.043 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.098 -2.806 -4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.165 -7.113 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.391 -4.875 -4.495 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.508 -7.054 -4.926 1.00 0.00 H new ATOM 1144 N LEU A 78 0.346 0.266 -7.604 1.00 0.00 N ATOM 1145 CA LEU A 78 0.760 1.661 -7.707 1.00 0.00 C ATOM 1146 C LEU A 78 0.010 2.528 -6.701 1.00 0.00 C ATOM 1147 O LEU A 78 -1.139 2.245 -6.358 1.00 0.00 O ATOM 1148 CB LEU A 78 0.520 2.181 -9.125 1.00 0.00 C ATOM 1149 CG LEU A 78 1.323 1.500 -10.234 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.563 0.305 -10.787 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.643 2.490 -11.345 1.00 0.00 C ATOM 0 H LEU A 78 -0.649 0.109 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 78 1.825 1.716 -7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.540 2.076 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.746 3.247 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 78 2.261 1.143 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.150 -0.167 -11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.384 -0.414 -9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.391 0.638 -11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.215 1.988 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.715 2.877 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.229 3.315 -10.940 1.00 0.00 H new ATOM 1163 N CYS A 79 0.665 3.585 -6.234 1.00 0.00 N ATOM 1164 CA CYS A 79 0.059 4.495 -5.269 1.00 0.00 C ATOM 1165 C CYS A 79 0.092 5.931 -5.780 1.00 0.00 C ATOM 1166 O CYS A 79 1.143 6.572 -5.795 1.00 0.00 O ATOM 1167 CB CYS A 79 0.783 4.402 -3.925 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.250 4.814 -2.499 1.00 0.00 S ATOM 0 H CYS A 79 1.616 3.833 -6.508 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.982 4.201 -5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.167 3.390 -3.801 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.644 5.070 -3.941 1.00 0.00 H new ATOM 0 HG CYS A 79 0.482 4.837 -1.425 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.066 6.431 -6.201 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.169 7.792 -6.714 1.00 0.00 C ATOM 1176 C VAL A 80 -1.452 8.783 -5.590 1.00 0.00 C ATOM 1177 O VAL A 80 -2.396 8.609 -4.819 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.277 7.908 -7.777 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.234 9.273 -8.447 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.146 6.796 -8.806 1.00 0.00 C ATOM 0 H VAL A 80 -1.945 5.914 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.209 8.031 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.243 7.803 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.024 9.336 -9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.381 10.051 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.266 9.411 -8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.937 6.893 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.176 6.867 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.231 5.829 -8.310 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.629 9.822 -5.504 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.791 10.842 -4.474 1.00 0.00 C ATOM 1192 C CYS A 81 -0.277 12.193 -4.962 1.00 0.00 C ATOM 1193 O CYS A 81 0.894 12.334 -5.313 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.052 10.431 -3.200 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.409 8.747 -2.650 1.00 0.00 S ATOM 0 H CYS A 81 0.157 9.980 -6.135 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.854 10.936 -4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.021 10.527 -3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -0.313 11.125 -2.401 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.484 8.316 -3.241 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.162 13.185 -4.982 1.00 0.00 N ATOM 1202 CA GLY A 82 -0.780 14.512 -5.430 1.00 0.00 C ATOM 1203 C GLY A 82 -0.241 14.512 -6.846 1.00 0.00 C ATOM 1204 O GLY A 82 -0.888 14.006 -7.763 1.00 0.00 O ATOM 0 H GLY A 82 -2.137 13.094 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.644 15.174 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.024 14.916 -4.757 1.00 0.00 H new ATOM 1208 N GLN A 83 0.945 15.083 -7.026 1.00 0.00 N ATOM 1209 CA GLN A 83 1.569 15.150 -8.342 1.00 0.00 C ATOM 1210 C GLN A 83 2.654 14.087 -8.485 1.00 0.00 C ATOM 1211 O GLN A 83 3.545 14.206 -9.325 1.00 0.00 O ATOM 1212 CB GLN A 83 2.165 16.539 -8.578 1.00 0.00 C ATOM 1213 CG GLN A 83 1.186 17.524 -9.197 1.00 0.00 C ATOM 1214 CD GLN A 83 0.703 17.085 -10.565 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -0.308 16.393 -10.687 1.00 0.00 O ATOM 1216 NE2 GLN A 83 1.426 17.486 -11.605 1.00 0.00 N ATOM 0 H GLN A 83 1.493 15.506 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 83 0.800 14.961 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.519 16.940 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.035 16.446 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.329 17.643 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.663 18.501 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.257 18.059 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.150 17.221 -12.551 1.00 0.00 H new ATOM 1225 N GLU A 84 2.572 13.050 -7.658 1.00 0.00 N ATOM 1226 CA GLU A 84 3.548 11.967 -7.692 1.00 0.00 C ATOM 1227 C GLU A 84 2.854 10.608 -7.666 1.00 0.00 C ATOM 1228 O GLU A 84 1.640 10.522 -7.482 1.00 0.00 O ATOM 1229 CB GLU A 84 4.512 12.082 -6.509 1.00 0.00 C ATOM 1230 CG GLU A 84 5.087 13.476 -6.327 1.00 0.00 C ATOM 1231 CD GLU A 84 6.343 13.701 -7.147 1.00 0.00 C ATOM 1232 OE1 GLU A 84 6.370 13.274 -8.320 1.00 0.00 O ATOM 1233 OE2 GLU A 84 7.298 14.305 -6.615 1.00 0.00 O ATOM 0 H GLU A 84 1.840 12.937 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 84 4.112 12.050 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.991 11.791 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.330 11.376 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.336 14.214 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.312 13.637 -5.273 1.00 0.00 H new ATOM 1240 N ARG A 85 3.635 9.549 -7.854 1.00 0.00 N ATOM 1241 CA ARG A 85 3.096 8.194 -7.854 1.00 0.00 C ATOM 1242 C ARG A 85 4.220 7.162 -7.852 1.00 0.00 C ATOM 1243 O ARG A 85 5.280 7.380 -8.440 1.00 0.00 O ATOM 1244 CB ARG A 85 2.196 7.980 -9.072 1.00 0.00 C ATOM 1245 CG ARG A 85 2.920 8.133 -10.399 1.00 0.00 C ATOM 1246 CD ARG A 85 2.250 7.320 -11.497 1.00 0.00 C ATOM 1247 NE ARG A 85 3.120 7.147 -12.657 1.00 0.00 N ATOM 1248 CZ ARG A 85 4.098 6.251 -12.716 1.00 0.00 C ATOM 1249 NH1 ARG A 85 4.331 5.451 -11.684 1.00 0.00 N ATOM 1250 NH2 ARG A 85 4.846 6.154 -13.807 1.00 0.00 N ATOM 0 H ARG A 85 4.642 9.603 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 85 2.505 8.065 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.759 6.983 -9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.372 8.692 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.940 9.185 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.956 7.813 -10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.970 6.342 -11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.329 7.816 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 85 2.968 7.748 -13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.758 5.523 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.083 4.763 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.670 6.768 -14.602 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.597 5.465 -13.851 1.00 0.00 H new ATOM 1264 N THR A 86 3.982 6.036 -7.186 1.00 0.00 N ATOM 1265 CA THR A 86 4.974 4.971 -7.106 1.00 0.00 C ATOM 1266 C THR A 86 4.369 3.626 -7.490 1.00 0.00 C ATOM 1267 O THR A 86 3.150 3.488 -7.585 1.00 0.00 O ATOM 1268 CB THR A 86 5.572 4.867 -5.690 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.322 3.653 -5.564 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.477 4.904 -4.635 1.00 0.00 C ATOM 0 H THR A 86 3.111 5.838 -6.694 1.00 0.00 H new ATOM 0 HA THR A 86 5.767 5.223 -7.810 1.00 0.00 H new ATOM 0 HB THR A 86 6.232 5.720 -5.535 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.140 3.825 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.924 4.829 -3.644 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.926 5.841 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.795 4.068 -4.789 1.00 0.00 H new ATOM 1278 N SER A 87 5.229 2.637 -7.710 1.00 0.00 N ATOM 1279 CA SER A 87 4.779 1.302 -8.087 1.00 0.00 C ATOM 1280 C SER A 87 5.745 0.238 -7.576 1.00 0.00 C ATOM 1281 O SER A 87 6.959 0.442 -7.561 1.00 0.00 O ATOM 1282 CB SER A 87 4.645 1.197 -9.608 1.00 0.00 C ATOM 1283 OG SER A 87 5.916 1.114 -10.227 1.00 0.00 O ATOM 0 H SER A 87 6.241 2.735 -7.634 1.00 0.00 H new ATOM 0 HA SER A 87 3.804 1.132 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.054 0.318 -9.864 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.107 2.065 -9.990 1.00 0.00 H new ATOM 0 HG SER A 87 5.803 1.046 -11.198 1.00 0.00 H new ATOM 1289 N ALA A 88 5.197 -0.898 -7.157 1.00 0.00 N ATOM 1290 CA ALA A 88 6.009 -1.996 -6.647 1.00 0.00 C ATOM 1291 C ALA A 88 5.507 -3.338 -7.169 1.00 0.00 C ATOM 1292 O ALA A 88 4.307 -3.533 -7.360 1.00 0.00 O ATOM 1293 CB ALA A 88 6.013 -1.986 -5.126 1.00 0.00 C ATOM 0 H ALA A 88 4.194 -1.082 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 88 7.030 -1.857 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.623 -2.811 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.426 -1.042 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.993 -2.097 -4.759 1.00 0.00 H new ATOM 1299 N THR A 89 6.435 -4.263 -7.398 1.00 0.00 N ATOM 1300 CA THR A 89 6.087 -5.586 -7.899 1.00 0.00 C ATOM 1301 C THR A 89 5.808 -6.552 -6.753 1.00 0.00 C ATOM 1302 O THR A 89 6.719 -6.944 -6.022 1.00 0.00 O ATOM 1303 CB THR A 89 7.208 -6.166 -8.782 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.373 -5.360 -9.954 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.894 -7.598 -9.185 1.00 0.00 C ATOM 0 H THR A 89 7.433 -4.119 -7.244 1.00 0.00 H new ATOM 0 HA THR A 89 5.185 -5.469 -8.500 1.00 0.00 H new ATOM 0 HB THR A 89 8.133 -6.163 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.088 -5.734 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.700 -7.986 -9.808 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.797 -8.215 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.959 -7.622 -9.745 1.00 0.00 H new ATOM 1313 N LEU A 90 4.545 -6.934 -6.602 1.00 0.00 N ATOM 1314 CA LEU A 90 4.146 -7.856 -5.544 1.00 0.00 C ATOM 1315 C LEU A 90 4.378 -9.303 -5.967 1.00 0.00 C ATOM 1316 O LEU A 90 4.035 -9.699 -7.081 1.00 0.00 O ATOM 1317 CB LEU A 90 2.673 -7.648 -5.187 1.00 0.00 C ATOM 1318 CG LEU A 90 2.159 -8.425 -3.975 1.00 0.00 C ATOM 1319 CD1 LEU A 90 2.939 -8.044 -2.726 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.672 -8.177 -3.774 1.00 0.00 C ATOM 0 H LEU A 90 3.780 -6.620 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 90 4.759 -7.650 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.510 -6.585 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.068 -7.922 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 90 2.308 -9.489 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.559 -8.607 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.994 -8.274 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.824 -6.977 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.323 -8.738 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.499 -7.113 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.126 -8.502 -4.660 1.00 0.00 H new ATOM 1332 N THR A 91 4.962 -10.091 -5.068 1.00 0.00 N ATOM 1333 CA THR A 91 5.239 -11.494 -5.347 1.00 0.00 C ATOM 1334 C THR A 91 4.362 -12.407 -4.498 1.00 0.00 C ATOM 1335 O THR A 91 4.332 -12.290 -3.272 1.00 0.00 O ATOM 1336 CB THR A 91 6.718 -11.836 -5.089 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.537 -11.288 -6.128 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.921 -13.342 -5.018 1.00 0.00 C ATOM 0 H THR A 91 5.252 -9.780 -4.141 1.00 0.00 H new ATOM 0 HA THR A 91 5.015 -11.657 -6.401 1.00 0.00 H new ATOM 0 HB THR A 91 7.006 -11.401 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.476 -11.509 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.973 -13.559 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.320 -13.752 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.616 -13.795 -5.961 1.00 0.00 H new ATOM 1346 N ILE A 92 3.651 -13.316 -5.156 1.00 0.00 N ATOM 1347 CA ILE A 92 2.775 -14.251 -4.460 1.00 0.00 C ATOM 1348 C ILE A 92 3.370 -15.654 -4.443 1.00 0.00 C ATOM 1349 O ILE A 92 3.768 -16.183 -5.482 1.00 0.00 O ATOM 1350 CB ILE A 92 1.380 -14.304 -5.109 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.715 -12.927 -5.055 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.513 -15.345 -4.416 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.610 -12.361 -3.656 1.00 0.00 C ATOM 0 H ILE A 92 3.664 -13.425 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 92 2.677 -13.889 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 92 1.493 -14.591 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.282 -12.234 -5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.284 -12.998 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.470 -15.371 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.982 -16.325 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.405 -15.086 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.129 -11.384 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.018 -13.033 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.608 -12.258 -3.229 1.00 0.00 H new ATOM 1365 N ARG A 93 3.427 -16.254 -3.259 1.00 0.00 N ATOM 1366 CA ARG A 93 3.973 -17.597 -3.107 1.00 0.00 C ATOM 1367 C ARG A 93 2.854 -18.630 -3.009 1.00 0.00 C ATOM 1368 O ARG A 93 2.139 -18.693 -2.009 1.00 0.00 O ATOM 1369 CB ARG A 93 4.862 -17.672 -1.864 1.00 0.00 C ATOM 1370 CG ARG A 93 6.257 -17.108 -2.078 1.00 0.00 C ATOM 1371 CD ARG A 93 7.224 -18.180 -2.555 1.00 0.00 C ATOM 1372 NE ARG A 93 7.886 -18.854 -1.441 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.495 -20.030 -1.551 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.526 -20.657 -2.719 1.00 0.00 N ATOM 1375 NH2 ARG A 93 9.075 -20.579 -0.492 1.00 0.00 N ATOM 0 H ARG A 93 3.101 -15.831 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 93 4.574 -17.820 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.381 -17.129 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.944 -18.712 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.216 -16.301 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.622 -16.675 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.685 -18.914 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.975 -17.729 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 93 7.881 -18.397 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.082 -20.237 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.994 -21.560 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.054 -20.099 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.542 -21.482 -0.577 1.00 0.00 H new ATOM 1389 N ALA A 94 2.710 -19.439 -4.053 1.00 0.00 N ATOM 1390 CA ALA A 94 1.680 -20.470 -4.084 1.00 0.00 C ATOM 1391 C ALA A 94 1.801 -21.403 -2.884 1.00 0.00 C ATOM 1392 O ALA A 94 2.854 -21.998 -2.650 1.00 0.00 O ATOM 1393 CB ALA A 94 1.765 -21.262 -5.381 1.00 0.00 C ATOM 0 H ALA A 94 3.294 -19.400 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 94 0.708 -19.979 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.990 -22.029 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.622 -20.590 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.744 -21.735 -5.455 1.00 0.00 H new ATOM 1399 N LEU A 95 0.718 -21.526 -2.125 1.00 0.00 N ATOM 1400 CA LEU A 95 0.702 -22.386 -0.947 1.00 0.00 C ATOM 1401 C LEU A 95 1.160 -23.798 -1.298 1.00 0.00 C ATOM 1402 O LEU A 95 0.931 -24.295 -2.401 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.701 -22.428 -0.340 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.197 -21.129 0.295 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.714 -21.043 0.220 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.725 -21.026 1.738 1.00 0.00 C ATOM 0 H LEU A 95 -0.161 -21.041 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 95 1.395 -21.971 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.404 -22.719 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.724 -23.211 0.418 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.779 -20.291 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.049 -20.112 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.029 -21.069 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.153 -21.887 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.088 -20.095 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.113 -21.869 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.365 -21.040 1.766 1.00 0.00 H new