USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 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 -79:sc= 1.06 USER MOD Set 1.2: A 79 CYS SG : rot -170:sc= 1.23 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 17 ASN : amide:sc= 0.0804 K(o=0.08,f=-2.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 145:sc= -1.6 (180deg=-2.16) 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+ -177:sc= 0 (180deg=-0.0074) USER MOD Single : A 46 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.573 USER MOD Single : A 57 GLN : amide:sc= 0.154 K(o=0.15,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 140:sc= -1.21 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 139:sc= -0.621 (180deg=-2.1!) USER MOD Single : A 77 TYR OH : rot -19:sc= 0.175 USER MOD Single : A 81 CYS SG : rot -42:sc= -2.23 USER MOD Single : A 83 GLN : amide:sc=-0.00048 X(o=-0.00048,f=-0.017) USER MOD Single : A 86 THR OG1 : rot 66:sc= -0.544 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 2.148 16.673 -1.734 1.00 0.00 N ATOM 81 CA ALA A 9 2.702 15.570 -0.959 1.00 0.00 C ATOM 82 C ALA A 9 3.588 14.681 -1.825 1.00 0.00 C ATOM 83 O ALA A 9 3.119 14.058 -2.778 1.00 0.00 O ATOM 84 CB ALA A 9 1.583 14.752 -0.332 1.00 0.00 C ATOM 0 HA ALA A 9 3.319 15.990 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.011 13.931 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.992 15.388 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.943 14.349 -1.117 1.00 0.00 H new ATOM 90 N LYS A 10 4.873 14.628 -1.489 1.00 0.00 N ATOM 91 CA LYS A 10 5.826 13.815 -2.235 1.00 0.00 C ATOM 92 C LYS A 10 6.212 12.568 -1.447 1.00 0.00 C ATOM 93 O LYS A 10 6.420 12.627 -0.235 1.00 0.00 O ATOM 94 CB LYS A 10 7.078 14.632 -2.562 1.00 0.00 C ATOM 95 CG LYS A 10 6.791 15.891 -3.362 1.00 0.00 C ATOM 96 CD LYS A 10 7.984 16.297 -4.211 1.00 0.00 C ATOM 97 CE LYS A 10 7.831 17.712 -4.747 1.00 0.00 C ATOM 98 NZ LYS A 10 9.151 18.357 -4.994 1.00 0.00 N ATOM 0 H LYS A 10 5.278 15.139 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 10 5.350 13.503 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.575 14.908 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.774 14.007 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.926 15.726 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.533 16.704 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.895 16.229 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.093 15.601 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.259 17.689 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.262 18.310 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.004 19.320 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.687 18.402 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.684 17.800 -5.692 1.00 0.00 H new ATOM 112 N PHE A 11 6.308 11.439 -2.143 1.00 0.00 N ATOM 113 CA PHE A 11 6.669 10.178 -1.508 1.00 0.00 C ATOM 114 C PHE A 11 8.080 10.244 -0.931 1.00 0.00 C ATOM 115 O PHE A 11 9.052 10.458 -1.657 1.00 0.00 O ATOM 116 CB PHE A 11 6.571 9.029 -2.514 1.00 0.00 C ATOM 117 CG PHE A 11 5.158 8.631 -2.833 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.420 9.337 -3.770 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.568 7.551 -2.196 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.120 8.973 -4.064 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.268 7.183 -2.487 1.00 0.00 C ATOM 122 CZ PHE A 11 2.543 7.894 -3.423 1.00 0.00 C ATOM 0 H PHE A 11 6.141 11.373 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 11 5.969 9.998 -0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.075 9.320 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.103 8.164 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.866 10.181 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.130 6.991 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.555 9.532 -4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.819 6.340 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.528 7.607 -3.653 1.00 0.00 H new ATOM 132 N THR A 12 8.186 10.059 0.381 1.00 0.00 N ATOM 133 CA THR A 12 9.477 10.099 1.057 1.00 0.00 C ATOM 134 C THR A 12 10.161 8.738 1.018 1.00 0.00 C ATOM 135 O THR A 12 11.379 8.650 0.865 1.00 0.00 O ATOM 136 CB THR A 12 9.329 10.544 2.525 1.00 0.00 C ATOM 137 OG1 THR A 12 8.354 9.731 3.187 1.00 0.00 O ATOM 138 CG2 THR A 12 8.918 12.007 2.608 1.00 0.00 C ATOM 0 H THR A 12 7.393 9.880 0.997 1.00 0.00 H new ATOM 0 HA THR A 12 10.090 10.826 0.524 1.00 0.00 H new ATOM 0 HB THR A 12 10.294 10.426 3.017 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.267 10.019 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.820 12.299 3.654 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.677 12.626 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.963 12.146 2.101 1.00 0.00 H new ATOM 146 N GLU A 13 9.369 7.679 1.155 1.00 0.00 N ATOM 147 CA GLU A 13 9.901 6.321 1.135 1.00 0.00 C ATOM 148 C GLU A 13 9.400 5.559 -0.089 1.00 0.00 C ATOM 149 O GLU A 13 10.133 4.770 -0.685 1.00 0.00 O ATOM 150 CB GLU A 13 9.505 5.575 2.411 1.00 0.00 C ATOM 151 CG GLU A 13 9.917 6.290 3.686 1.00 0.00 C ATOM 152 CD GLU A 13 11.412 6.223 3.936 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.171 6.837 3.157 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.822 5.557 4.909 1.00 0.00 O ATOM 0 H GLU A 13 8.358 7.735 1.281 1.00 0.00 H new ATOM 0 HA GLU A 13 10.988 6.385 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.424 5.432 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.958 4.584 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.608 7.334 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.391 5.848 4.532 1.00 0.00 H new ATOM 161 N GLY A 14 8.145 5.800 -0.457 1.00 0.00 N ATOM 162 CA GLY A 14 7.567 5.129 -1.607 1.00 0.00 C ATOM 163 C GLY A 14 7.334 3.652 -1.359 1.00 0.00 C ATOM 164 O GLY A 14 7.743 3.116 -0.328 1.00 0.00 O ATOM 0 H GLY A 14 7.518 6.448 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.621 5.605 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.228 5.250 -2.465 1.00 0.00 H new ATOM 168 N LEU A 15 6.673 2.993 -2.304 1.00 0.00 N ATOM 169 CA LEU A 15 6.384 1.568 -2.183 1.00 0.00 C ATOM 170 C LEU A 15 7.655 0.739 -2.338 1.00 0.00 C ATOM 171 O LEU A 15 8.752 1.284 -2.461 1.00 0.00 O ATOM 172 CB LEU A 15 5.355 1.146 -3.233 1.00 0.00 C ATOM 173 CG LEU A 15 3.919 1.614 -2.993 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.118 1.561 -4.284 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.256 0.770 -1.916 1.00 0.00 C ATOM 0 H LEU A 15 6.327 3.422 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 15 5.975 1.388 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.681 1.522 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.355 0.058 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 15 3.947 2.648 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.099 1.897 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.582 2.210 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.098 0.537 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.235 1.117 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.240 -0.274 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.817 0.860 -0.986 1.00 0.00 H new ATOM 187 N ARG A 16 7.499 -0.580 -2.331 1.00 0.00 N ATOM 188 CA ARG A 16 8.634 -1.485 -2.472 1.00 0.00 C ATOM 189 C ARG A 16 8.163 -2.912 -2.734 1.00 0.00 C ATOM 190 O ARG A 16 7.266 -3.414 -2.058 1.00 0.00 O ATOM 191 CB ARG A 16 9.502 -1.446 -1.213 1.00 0.00 C ATOM 192 CG ARG A 16 8.751 -1.810 0.057 1.00 0.00 C ATOM 193 CD ARG A 16 9.382 -1.167 1.282 1.00 0.00 C ATOM 194 NE ARG A 16 10.440 -1.996 1.852 1.00 0.00 N ATOM 195 CZ ARG A 16 10.224 -3.184 2.406 1.00 0.00 C ATOM 196 NH1 ARG A 16 8.996 -3.679 2.465 1.00 0.00 N ATOM 197 NH2 ARG A 16 11.239 -3.880 2.903 1.00 0.00 N ATOM 0 H ARG A 16 6.598 -1.047 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 16 9.227 -1.155 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.340 -2.132 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.922 -0.446 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.713 -1.490 -0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.742 -2.893 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.791 -0.194 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.614 -0.991 2.035 1.00 0.00 H new ATOM 0 HE ARG A 16 11.397 -1.644 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.213 -3.148 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.834 -4.591 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.186 -3.503 2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.072 -4.792 3.328 1.00 0.00 H new ATOM 211 N ASN A 17 8.773 -3.559 -3.721 1.00 0.00 N ATOM 212 CA ASN A 17 8.416 -4.928 -4.074 1.00 0.00 C ATOM 213 C ASN A 17 8.541 -5.852 -2.867 1.00 0.00 C ATOM 214 O ASN A 17 9.415 -5.666 -2.020 1.00 0.00 O ATOM 215 CB ASN A 17 9.306 -5.433 -5.211 1.00 0.00 C ATOM 216 CG ASN A 17 10.781 -5.367 -4.864 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.351 -4.284 -4.732 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.406 -6.529 -4.714 1.00 0.00 N ATOM 0 H ASN A 17 9.517 -3.157 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 17 7.378 -4.931 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.037 -6.462 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.119 -4.839 -6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.399 -6.548 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.893 -7.403 -4.833 1.00 0.00 H new ATOM 225 N GLU A 18 7.663 -6.847 -2.795 1.00 0.00 N ATOM 226 CA GLU A 18 7.676 -7.799 -1.691 1.00 0.00 C ATOM 227 C GLU A 18 7.112 -9.148 -2.129 1.00 0.00 C ATOM 228 O GLU A 18 6.706 -9.318 -3.278 1.00 0.00 O ATOM 229 CB GLU A 18 6.870 -7.256 -0.510 1.00 0.00 C ATOM 230 CG GLU A 18 5.366 -7.319 -0.719 1.00 0.00 C ATOM 231 CD GLU A 18 4.592 -7.222 0.581 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.183 -6.790 1.592 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.395 -7.578 0.587 1.00 0.00 O ATOM 0 H GLU A 18 6.934 -7.015 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 18 8.711 -7.941 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.128 -7.821 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.160 -6.221 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.061 -6.508 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.111 -8.253 -1.220 1.00 0.00 H new ATOM 240 N GLU A 19 7.091 -10.102 -1.204 1.00 0.00 N ATOM 241 CA GLU A 19 6.578 -11.436 -1.495 1.00 0.00 C ATOM 242 C GLU A 19 5.326 -11.728 -0.673 1.00 0.00 C ATOM 243 O GLU A 19 5.025 -11.026 0.291 1.00 0.00 O ATOM 244 CB GLU A 19 7.647 -12.492 -1.207 1.00 0.00 C ATOM 245 CG GLU A 19 8.566 -12.765 -2.387 1.00 0.00 C ATOM 246 CD GLU A 19 8.051 -13.874 -3.283 1.00 0.00 C ATOM 247 OE1 GLU A 19 6.855 -14.217 -3.174 1.00 0.00 O ATOM 248 OE2 GLU A 19 8.844 -14.400 -4.092 1.00 0.00 O ATOM 0 H GLU A 19 7.423 -9.977 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 19 6.316 -11.474 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.247 -12.167 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.158 -13.422 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.680 -11.853 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.556 -13.032 -2.017 1.00 0.00 H new ATOM 255 N ALA A 20 4.599 -12.770 -1.064 1.00 0.00 N ATOM 256 CA ALA A 20 3.380 -13.157 -0.364 1.00 0.00 C ATOM 257 C ALA A 20 2.994 -14.596 -0.688 1.00 0.00 C ATOM 258 O ALA A 20 3.632 -15.250 -1.513 1.00 0.00 O ATOM 259 CB ALA A 20 2.243 -12.210 -0.721 1.00 0.00 C ATOM 0 H ALA A 20 4.833 -13.361 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 20 3.570 -13.092 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.339 -12.511 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.512 -11.194 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.063 -12.246 -1.795 1.00 0.00 H new ATOM 265 N VAL A 21 1.945 -15.084 -0.034 1.00 0.00 N ATOM 266 CA VAL A 21 1.474 -16.446 -0.252 1.00 0.00 C ATOM 267 C VAL A 21 -0.031 -16.475 -0.498 1.00 0.00 C ATOM 268 O VAL A 21 -0.785 -15.731 0.128 1.00 0.00 O ATOM 269 CB VAL A 21 1.804 -17.354 0.947 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.492 -18.807 0.620 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.261 -17.192 1.352 1.00 0.00 C ATOM 0 H VAL A 21 1.405 -14.556 0.652 1.00 0.00 H new ATOM 0 HA VAL A 21 1.991 -16.821 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 21 1.180 -17.054 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.732 -19.433 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.433 -18.907 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.087 -19.123 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.477 -17.841 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.904 -17.464 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.448 -16.155 1.631 1.00 0.00 H new ATOM 281 N GLU A 22 -0.459 -17.338 -1.413 1.00 0.00 N ATOM 282 CA GLU A 22 -1.875 -17.462 -1.741 1.00 0.00 C ATOM 283 C GLU A 22 -2.727 -17.478 -0.476 1.00 0.00 C ATOM 284 O GLU A 22 -2.463 -18.239 0.455 1.00 0.00 O ATOM 285 CB GLU A 22 -2.123 -18.736 -2.553 1.00 0.00 C ATOM 286 CG GLU A 22 -1.780 -18.595 -4.026 1.00 0.00 C ATOM 287 CD GLU A 22 -2.249 -19.779 -4.850 1.00 0.00 C ATOM 288 OE1 GLU A 22 -2.129 -20.923 -4.364 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.734 -19.561 -5.979 1.00 0.00 O ATOM 0 H GLU A 22 0.153 -17.961 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.161 -16.597 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.534 -19.548 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.171 -19.019 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.234 -17.684 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.701 -18.486 -4.135 1.00 0.00 H new ATOM 296 N GLY A 23 -3.753 -16.632 -0.449 1.00 0.00 N ATOM 297 CA GLY A 23 -4.628 -16.564 0.706 1.00 0.00 C ATOM 298 C GLY A 23 -4.148 -15.564 1.739 1.00 0.00 C ATOM 299 O GLY A 23 -4.950 -14.855 2.347 1.00 0.00 O ATOM 0 H GLY A 23 -3.993 -15.993 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.633 -16.293 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.697 -17.551 1.164 1.00 0.00 H new ATOM 303 N ALA A 24 -2.836 -15.507 1.940 1.00 0.00 N ATOM 304 CA ALA A 24 -2.250 -14.586 2.907 1.00 0.00 C ATOM 305 C ALA A 24 -2.621 -13.142 2.584 1.00 0.00 C ATOM 306 O ALA A 24 -3.194 -12.857 1.532 1.00 0.00 O ATOM 307 CB ALA A 24 -0.738 -14.749 2.942 1.00 0.00 C ATOM 0 H ALA A 24 -2.158 -16.088 1.446 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.653 -14.826 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.314 -14.055 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.489 -15.771 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.326 -14.538 1.955 1.00 0.00 H new ATOM 313 N THR A 25 -2.291 -12.233 3.497 1.00 0.00 N ATOM 314 CA THR A 25 -2.592 -10.820 3.310 1.00 0.00 C ATOM 315 C THR A 25 -1.321 -10.017 3.054 1.00 0.00 C ATOM 316 O THR A 25 -0.505 -9.825 3.954 1.00 0.00 O ATOM 317 CB THR A 25 -3.317 -10.233 4.536 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.349 -11.127 4.969 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.920 -8.875 4.209 1.00 0.00 C ATOM 0 H THR A 25 -1.815 -12.451 4.373 1.00 0.00 H new ATOM 0 HA THR A 25 -3.246 -10.748 2.441 1.00 0.00 H new ATOM 0 HB THR A 25 -2.587 -10.106 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.804 -10.748 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.427 -8.480 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.129 -8.189 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.637 -8.982 3.395 1.00 0.00 H new ATOM 327 N ALA A 26 -1.162 -9.549 1.820 1.00 0.00 N ATOM 328 CA ALA A 26 0.008 -8.764 1.447 1.00 0.00 C ATOM 329 C ALA A 26 0.153 -7.535 2.338 1.00 0.00 C ATOM 330 O ALA A 26 -0.797 -7.125 3.004 1.00 0.00 O ATOM 331 CB ALA A 26 -0.078 -8.351 -0.015 1.00 0.00 C ATOM 0 H ALA A 26 -1.828 -9.700 1.063 1.00 0.00 H new ATOM 0 HA ALA A 26 0.892 -9.387 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.802 -7.765 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.124 -9.241 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.974 -7.750 -0.171 1.00 0.00 H new ATOM 337 N MET A 27 1.348 -6.953 2.346 1.00 0.00 N ATOM 338 CA MET A 27 1.616 -5.771 3.157 1.00 0.00 C ATOM 339 C MET A 27 2.379 -4.723 2.353 1.00 0.00 C ATOM 340 O MET A 27 3.561 -4.895 2.054 1.00 0.00 O ATOM 341 CB MET A 27 2.412 -6.152 4.406 1.00 0.00 C ATOM 342 CG MET A 27 2.800 -4.960 5.267 1.00 0.00 C ATOM 343 SD MET A 27 1.480 -4.452 6.385 1.00 0.00 S ATOM 344 CE MET A 27 0.627 -3.243 5.375 1.00 0.00 C ATOM 0 H MET A 27 2.145 -7.280 1.801 1.00 0.00 H new ATOM 0 HA MET A 27 0.660 -5.345 3.461 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.822 -6.846 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.316 -6.681 4.103 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.687 -5.210 5.849 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.067 -4.123 4.622 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.443 -3.290 5.577 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.997 -2.245 5.611 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.807 -3.457 4.321 1.00 0.00 H new ATOM 354 N LEU A 28 1.697 -3.637 2.006 1.00 0.00 N ATOM 355 CA LEU A 28 2.311 -2.561 1.237 1.00 0.00 C ATOM 356 C LEU A 28 2.043 -1.206 1.885 1.00 0.00 C ATOM 357 O LEU A 28 0.894 -0.780 2.001 1.00 0.00 O ATOM 358 CB LEU A 28 1.782 -2.567 -0.198 1.00 0.00 C ATOM 359 CG LEU A 28 2.186 -3.765 -1.058 1.00 0.00 C ATOM 360 CD1 LEU A 28 1.152 -4.015 -2.145 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.562 -3.542 -1.669 1.00 0.00 C ATOM 0 H LEU A 28 0.718 -3.479 2.245 1.00 0.00 H new ATOM 0 HA LEU A 28 3.388 -2.728 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.694 -2.521 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.123 -1.658 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 28 2.232 -4.647 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.457 -4.871 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.184 -4.219 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.073 -3.134 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.834 -4.404 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.542 -2.649 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.297 -3.413 -0.874 1.00 0.00 H new ATOM 373 N TRP A 29 3.109 -0.534 2.302 1.00 0.00 N ATOM 374 CA TRP A 29 2.988 0.774 2.936 1.00 0.00 C ATOM 375 C TRP A 29 3.833 1.812 2.207 1.00 0.00 C ATOM 376 O TRP A 29 4.797 1.471 1.521 1.00 0.00 O ATOM 377 CB TRP A 29 3.412 0.693 4.404 1.00 0.00 C ATOM 378 CG TRP A 29 4.894 0.563 4.588 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.600 -0.593 4.763 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.851 1.627 4.616 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.938 -0.311 4.899 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.118 1.044 4.812 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.761 3.016 4.494 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.283 1.802 4.888 1.00 0.00 C ATOM 385 CZ3 TRP A 29 6.918 3.768 4.570 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.166 3.160 4.765 1.00 0.00 C ATOM 0 H TRP A 29 4.067 -0.873 2.213 1.00 0.00 H new ATOM 0 HA TRP A 29 1.943 1.081 2.883 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.065 1.586 4.925 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.919 -0.160 4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.170 -1.583 4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.677 -0.999 5.042 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.804 3.494 4.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.245 1.335 5.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.860 4.842 4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.052 3.775 4.819 1.00 0.00 H new ATOM 397 N CYS A 30 3.466 3.080 2.359 1.00 0.00 N ATOM 398 CA CYS A 30 4.190 4.169 1.713 1.00 0.00 C ATOM 399 C CYS A 30 4.010 5.473 2.483 1.00 0.00 C ATOM 400 O CYS A 30 2.910 5.792 2.933 1.00 0.00 O ATOM 401 CB CYS A 30 3.712 4.343 0.271 1.00 0.00 C ATOM 402 SG CYS A 30 1.939 4.663 0.115 1.00 0.00 S ATOM 0 H CYS A 30 2.671 3.379 2.924 1.00 0.00 H new ATOM 0 HA CYS A 30 5.250 3.915 1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.261 5.167 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.959 3.444 -0.293 1.00 0.00 H new ATOM 0 HG CYS A 30 1.285 3.546 0.230 1.00 0.00 H new ATOM 408 N GLU A 31 5.098 6.222 2.631 1.00 0.00 N ATOM 409 CA GLU A 31 5.060 7.491 3.349 1.00 0.00 C ATOM 410 C GLU A 31 4.942 8.662 2.378 1.00 0.00 C ATOM 411 O GLU A 31 5.166 8.512 1.176 1.00 0.00 O ATOM 412 CB GLU A 31 6.314 7.653 4.210 1.00 0.00 C ATOM 413 CG GLU A 31 6.171 7.075 5.609 1.00 0.00 C ATOM 414 CD GLU A 31 7.501 6.944 6.325 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.438 7.692 5.975 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.605 6.094 7.233 1.00 0.00 O ATOM 0 H GLU A 31 6.016 5.972 2.264 1.00 0.00 H new ATOM 0 HA GLU A 31 4.182 7.487 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.153 7.169 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.557 8.713 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.508 7.712 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.698 6.095 5.547 1.00 0.00 H new ATOM 423 N LEU A 32 4.588 9.828 2.907 1.00 0.00 N ATOM 424 CA LEU A 32 4.439 11.026 2.088 1.00 0.00 C ATOM 425 C LEU A 32 4.911 12.264 2.843 1.00 0.00 C ATOM 426 O LEU A 32 4.955 12.274 4.073 1.00 0.00 O ATOM 427 CB LEU A 32 2.979 11.199 1.663 1.00 0.00 C ATOM 428 CG LEU A 32 2.230 9.918 1.299 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.737 10.086 1.538 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.499 9.535 -0.150 1.00 0.00 C ATOM 0 H LEU A 32 4.399 9.969 3.899 1.00 0.00 H new ATOM 0 HA LEU A 32 5.058 10.908 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.442 11.692 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.948 11.870 0.805 1.00 0.00 H new ATOM 0 HG LEU A 32 2.592 9.114 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.220 9.164 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.560 10.312 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.360 10.903 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.957 8.620 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.165 10.338 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.567 9.372 -0.291 1.00 0.00 H new ATOM 442 N SER A 33 5.261 13.308 2.098 1.00 0.00 N ATOM 443 CA SER A 33 5.732 14.551 2.697 1.00 0.00 C ATOM 444 C SER A 33 4.693 15.117 3.661 1.00 0.00 C ATOM 445 O SER A 33 5.009 15.939 4.521 1.00 0.00 O ATOM 446 CB SER A 33 6.048 15.579 1.609 1.00 0.00 C ATOM 447 OG SER A 33 6.730 16.698 2.147 1.00 0.00 O ATOM 0 H SER A 33 5.227 13.317 1.079 1.00 0.00 H new ATOM 0 HA SER A 33 6.642 14.334 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.658 15.116 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.123 15.907 1.134 1.00 0.00 H new ATOM 0 HG SER A 33 6.922 17.339 1.431 1.00 0.00 H new ATOM 453 N LYS A 34 3.450 14.671 3.510 1.00 0.00 N ATOM 454 CA LYS A 34 2.363 15.130 4.366 1.00 0.00 C ATOM 455 C LYS A 34 1.186 14.160 4.318 1.00 0.00 C ATOM 456 O LYS A 34 1.166 13.232 3.509 1.00 0.00 O ATOM 457 CB LYS A 34 1.905 16.526 3.939 1.00 0.00 C ATOM 458 CG LYS A 34 1.528 16.620 2.471 1.00 0.00 C ATOM 459 CD LYS A 34 1.058 18.017 2.104 1.00 0.00 C ATOM 460 CE LYS A 34 0.082 17.989 0.938 1.00 0.00 C ATOM 461 NZ LYS A 34 -0.718 19.242 0.853 1.00 0.00 N ATOM 0 H LYS A 34 3.171 13.992 2.802 1.00 0.00 H new ATOM 0 HA LYS A 34 2.734 15.173 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.048 16.819 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.702 17.240 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.387 16.351 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.740 15.900 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.581 18.480 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.918 18.635 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.632 17.846 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.589 17.137 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.371 19.183 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.263 19.366 1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.080 20.053 0.724 1.00 0.00 H new ATOM 475 N VAL A 35 0.206 14.382 5.188 1.00 0.00 N ATOM 476 CA VAL A 35 -0.975 13.530 5.243 1.00 0.00 C ATOM 477 C VAL A 35 -1.976 13.908 4.157 1.00 0.00 C ATOM 478 O VAL A 35 -2.713 14.885 4.291 1.00 0.00 O ATOM 479 CB VAL A 35 -1.667 13.617 6.616 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.844 12.656 6.683 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.672 13.333 7.732 1.00 0.00 C ATOM 0 H VAL A 35 0.207 15.145 5.865 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.635 12.507 5.080 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.048 14.630 6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.320 12.732 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.566 12.910 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.490 11.636 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.177 13.399 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.260 12.332 7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.135 14.065 7.695 1.00 0.00 H new ATOM 491 N ALA A 36 -1.998 13.127 3.082 1.00 0.00 N ATOM 492 CA ALA A 36 -2.911 13.378 1.974 1.00 0.00 C ATOM 493 C ALA A 36 -3.614 12.097 1.540 1.00 0.00 C ATOM 494 O ALA A 36 -3.105 10.990 1.719 1.00 0.00 O ATOM 495 CB ALA A 36 -2.161 13.994 0.802 1.00 0.00 C ATOM 0 H ALA A 36 -1.394 12.315 2.955 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.672 14.080 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.855 14.176 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.711 14.937 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.379 13.311 0.471 1.00 0.00 H new ATOM 501 N PRO A 37 -4.812 12.246 0.956 1.00 0.00 N ATOM 502 CA PRO A 37 -5.610 11.111 0.485 1.00 0.00 C ATOM 503 C PRO A 37 -4.992 10.434 -0.734 1.00 0.00 C ATOM 504 O PRO A 37 -4.900 11.029 -1.807 1.00 0.00 O ATOM 505 CB PRO A 37 -6.953 11.749 0.118 1.00 0.00 C ATOM 506 CG PRO A 37 -6.625 13.169 -0.191 1.00 0.00 C ATOM 507 CD PRO A 37 -5.480 13.536 0.711 1.00 0.00 C ATOM 0 HA PRO A 37 -5.686 10.327 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.407 11.252 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.664 11.677 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.349 13.286 -1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.484 13.815 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.809 14.253 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.829 13.991 1.638 1.00 0.00 H new ATOM 515 N VAL A 38 -4.571 9.185 -0.561 1.00 0.00 N ATOM 516 CA VAL A 38 -3.962 8.426 -1.647 1.00 0.00 C ATOM 517 C VAL A 38 -4.970 7.477 -2.286 1.00 0.00 C ATOM 518 O VAL A 38 -6.034 7.218 -1.725 1.00 0.00 O ATOM 519 CB VAL A 38 -2.750 7.614 -1.154 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.617 8.541 -0.744 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.151 6.706 -0.001 1.00 0.00 C ATOM 0 H VAL A 38 -4.641 8.677 0.321 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.627 9.150 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.396 6.988 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.769 7.949 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.313 9.145 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.955 9.195 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.283 6.140 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.531 7.310 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.927 6.017 -0.334 1.00 0.00 H new ATOM 531 N GLU A 39 -4.627 6.963 -3.463 1.00 0.00 N ATOM 532 CA GLU A 39 -5.503 6.043 -4.178 1.00 0.00 C ATOM 533 C GLU A 39 -4.717 4.850 -4.716 1.00 0.00 C ATOM 534 O GLU A 39 -4.003 4.962 -5.712 1.00 0.00 O ATOM 535 CB GLU A 39 -6.207 6.764 -5.329 1.00 0.00 C ATOM 536 CG GLU A 39 -7.118 7.891 -4.875 1.00 0.00 C ATOM 537 CD GLU A 39 -8.509 7.407 -4.514 1.00 0.00 C ATOM 538 OE1 GLU A 39 -9.063 6.580 -5.268 1.00 0.00 O ATOM 539 OE2 GLU A 39 -9.044 7.855 -3.478 1.00 0.00 O ATOM 0 H GLU A 39 -3.750 7.168 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.252 5.676 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.455 7.167 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.793 6.040 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.674 8.386 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.191 8.636 -5.667 1.00 0.00 H new ATOM 546 N TRP A 40 -4.854 3.710 -4.049 1.00 0.00 N ATOM 547 CA TRP A 40 -4.157 2.496 -4.458 1.00 0.00 C ATOM 548 C TRP A 40 -4.772 1.917 -5.728 1.00 0.00 C ATOM 549 O TRP A 40 -5.993 1.828 -5.852 1.00 0.00 O ATOM 550 CB TRP A 40 -4.198 1.457 -3.337 1.00 0.00 C ATOM 551 CG TRP A 40 -3.706 1.982 -2.022 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.350 2.861 -1.198 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.467 1.662 -1.381 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.585 3.107 -0.084 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.425 2.383 -0.171 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.389 0.836 -1.709 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.348 2.302 0.707 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.320 0.756 -0.837 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.306 1.485 0.360 1.00 0.00 C ATOM 0 H TRP A 40 -5.441 3.601 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.119 2.755 -4.665 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.222 1.102 -3.218 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.593 0.597 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.318 3.298 -1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.839 3.728 0.684 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.391 0.270 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.335 2.864 1.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.519 0.121 -1.082 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.544 1.400 1.021 1.00 0.00 H new ATOM 570 N ARG A 41 -3.918 1.525 -6.668 1.00 0.00 N ATOM 571 CA ARG A 41 -4.379 0.955 -7.928 1.00 0.00 C ATOM 572 C ARG A 41 -3.487 -0.207 -8.358 1.00 0.00 C ATOM 573 O ARG A 41 -2.394 -0.395 -7.824 1.00 0.00 O ATOM 574 CB ARG A 41 -4.399 2.027 -9.019 1.00 0.00 C ATOM 575 CG ARG A 41 -5.716 2.780 -9.109 1.00 0.00 C ATOM 576 CD ARG A 41 -5.628 3.943 -10.084 1.00 0.00 C ATOM 577 NE ARG A 41 -5.816 3.513 -11.467 1.00 0.00 N ATOM 578 CZ ARG A 41 -4.839 3.029 -12.225 1.00 0.00 C ATOM 579 NH1 ARG A 41 -3.611 2.913 -11.737 1.00 0.00 N ATOM 580 NH2 ARG A 41 -5.088 2.659 -13.475 1.00 0.00 N ATOM 0 H ARG A 41 -2.904 1.592 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.391 0.578 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.595 2.739 -8.832 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.192 1.558 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.505 2.098 -9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.992 3.151 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.383 4.687 -9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.657 4.427 -9.984 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.749 3.589 -11.873 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.415 3.196 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.863 2.541 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.031 2.746 -13.855 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.337 2.287 -14.056 1.00 0.00 H new ATOM 594 N LYS A 42 -3.963 -0.984 -9.325 1.00 0.00 N ATOM 595 CA LYS A 42 -3.210 -2.127 -9.827 1.00 0.00 C ATOM 596 C LYS A 42 -3.225 -2.161 -11.352 1.00 0.00 C ATOM 597 O LYS A 42 -4.089 -2.791 -11.960 1.00 0.00 O ATOM 598 CB LYS A 42 -3.790 -3.430 -9.272 1.00 0.00 C ATOM 599 CG LYS A 42 -2.940 -4.652 -9.574 1.00 0.00 C ATOM 600 CD LYS A 42 -3.486 -5.894 -8.889 1.00 0.00 C ATOM 601 CE LYS A 42 -3.013 -7.164 -9.579 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.773 -7.431 -10.832 1.00 0.00 N ATOM 0 H LYS A 42 -4.867 -0.843 -9.777 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.177 -2.025 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.905 -3.336 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.787 -3.580 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.905 -4.815 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.916 -4.474 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.168 -5.905 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.576 -5.862 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.951 -7.078 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.124 -8.009 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.456 -8.331 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.789 -7.488 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.606 -6.661 -11.510 1.00 0.00 H new ATOM 616 N GLY A 43 -2.262 -1.478 -11.964 1.00 0.00 N ATOM 617 CA GLY A 43 -2.183 -1.444 -13.413 1.00 0.00 C ATOM 618 C GLY A 43 -3.515 -1.121 -14.059 1.00 0.00 C ATOM 619 O GLY A 43 -4.078 -0.043 -13.865 1.00 0.00 O ATOM 0 H GLY A 43 -1.536 -0.948 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.446 -0.700 -13.716 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.831 -2.409 -13.777 1.00 0.00 H new ATOM 623 N PRO A 44 -4.040 -2.069 -14.850 1.00 0.00 N ATOM 624 CA PRO A 44 -5.320 -1.902 -15.544 1.00 0.00 C ATOM 625 C PRO A 44 -6.505 -1.909 -14.584 1.00 0.00 C ATOM 626 O PRO A 44 -7.563 -1.358 -14.887 1.00 0.00 O ATOM 627 CB PRO A 44 -5.379 -3.115 -16.475 1.00 0.00 C ATOM 628 CG PRO A 44 -4.519 -4.139 -15.818 1.00 0.00 C ATOM 629 CD PRO A 44 -3.423 -3.377 -15.126 1.00 0.00 C ATOM 0 HA PRO A 44 -5.381 -0.946 -16.063 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.401 -3.474 -16.593 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.010 -2.868 -17.471 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.093 -4.731 -15.105 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.109 -4.833 -16.552 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.106 -3.873 -14.209 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.540 -3.280 -15.758 1.00 0.00 H new ATOM 637 N GLU A 45 -6.319 -2.535 -13.426 1.00 0.00 N ATOM 638 CA GLU A 45 -7.375 -2.612 -12.423 1.00 0.00 C ATOM 639 C GLU A 45 -7.339 -1.397 -11.500 1.00 0.00 C ATOM 640 O GLU A 45 -6.502 -0.510 -11.658 1.00 0.00 O ATOM 641 CB GLU A 45 -7.234 -3.895 -11.600 1.00 0.00 C ATOM 642 CG GLU A 45 -7.791 -5.127 -12.294 1.00 0.00 C ATOM 643 CD GLU A 45 -7.117 -5.403 -13.624 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.040 -6.036 -13.623 1.00 0.00 O ATOM 645 OE2 GLU A 45 -7.665 -4.985 -14.665 1.00 0.00 O ATOM 0 H GLU A 45 -5.449 -2.995 -13.160 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.333 -2.624 -12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.180 -4.059 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.745 -3.763 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.669 -5.992 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.861 -4.997 -12.454 1.00 0.00 H new ATOM 652 N ASN A 46 -8.254 -1.366 -10.537 1.00 0.00 N ATOM 653 CA ASN A 46 -8.329 -0.259 -9.590 1.00 0.00 C ATOM 654 C ASN A 46 -8.677 -0.763 -8.192 1.00 0.00 C ATOM 655 O ASN A 46 -9.512 -1.654 -8.031 1.00 0.00 O ATOM 656 CB ASN A 46 -9.369 0.764 -10.049 1.00 0.00 C ATOM 657 CG ASN A 46 -10.740 0.146 -10.246 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.609 0.246 -9.379 1.00 0.00 O ATOM 659 ND2 ASN A 46 -10.941 -0.497 -11.390 1.00 0.00 N ATOM 0 H ASN A 46 -8.954 -2.094 -10.392 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.351 0.221 -9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.437 1.565 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.040 1.218 -10.984 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.844 -0.933 -11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.193 -0.555 -12.081 1.00 0.00 H new ATOM 666 N LEU A 47 -8.032 -0.186 -7.184 1.00 0.00 N ATOM 667 CA LEU A 47 -8.273 -0.575 -5.799 1.00 0.00 C ATOM 668 C LEU A 47 -8.768 0.612 -4.978 1.00 0.00 C ATOM 669 O LEU A 47 -8.552 1.767 -5.347 1.00 0.00 O ATOM 670 CB LEU A 47 -6.996 -1.142 -5.178 1.00 0.00 C ATOM 671 CG LEU A 47 -6.101 -1.958 -6.112 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.853 -2.428 -5.379 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.865 -3.144 -6.681 1.00 0.00 C ATOM 0 H LEU A 47 -7.338 0.553 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.045 -1.344 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.411 -0.313 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.275 -1.771 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.793 -1.319 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.228 -3.007 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.295 -1.563 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.141 -3.051 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.213 -3.713 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.203 -3.784 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.728 -2.786 -7.242 1.00 0.00 H new ATOM 685 N ARG A 48 -9.430 0.319 -3.864 1.00 0.00 N ATOM 686 CA ARG A 48 -9.954 1.362 -2.991 1.00 0.00 C ATOM 687 C ARG A 48 -10.280 0.802 -1.609 1.00 0.00 C ATOM 688 O ARG A 48 -10.470 -0.404 -1.447 1.00 0.00 O ATOM 689 CB ARG A 48 -11.205 1.992 -3.606 1.00 0.00 C ATOM 690 CG ARG A 48 -12.244 0.975 -4.048 1.00 0.00 C ATOM 691 CD ARG A 48 -13.506 1.653 -4.557 1.00 0.00 C ATOM 692 NE ARG A 48 -14.693 0.827 -4.350 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.925 -0.305 -5.006 1.00 0.00 C ATOM 694 NH1 ARG A 48 -14.055 -0.743 -5.905 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.028 -1.001 -4.762 1.00 0.00 N ATOM 0 H ARG A 48 -9.616 -0.632 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.186 2.128 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.656 2.667 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.913 2.597 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.827 0.345 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.493 0.321 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.635 2.608 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.397 1.871 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.382 1.136 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.206 -0.211 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.235 -1.612 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.699 -0.667 -4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.205 -1.870 -5.266 1.00 0.00 H new ATOM 709 N ASP A 49 -10.343 1.684 -0.618 1.00 0.00 N ATOM 710 CA ASP A 49 -10.647 1.278 0.749 1.00 0.00 C ATOM 711 C ASP A 49 -12.009 0.595 0.823 1.00 0.00 C ATOM 712 O ASP A 49 -13.046 1.257 0.851 1.00 0.00 O ATOM 713 CB ASP A 49 -10.619 2.489 1.682 1.00 0.00 C ATOM 714 CG ASP A 49 -11.643 3.539 1.299 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.605 4.011 0.144 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.483 3.889 2.155 1.00 0.00 O ATOM 0 H ASP A 49 -10.188 2.685 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.886 0.566 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.805 2.160 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.624 2.933 1.666 1.00 0.00 H new ATOM 721 N GLY A 50 -11.999 -0.734 0.853 1.00 0.00 N ATOM 722 CA GLY A 50 -13.239 -1.485 0.922 1.00 0.00 C ATOM 723 C GLY A 50 -13.131 -2.702 1.818 1.00 0.00 C ATOM 724 O GLY A 50 -12.196 -2.817 2.611 1.00 0.00 O ATOM 0 H GLY A 50 -11.154 -1.304 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.033 -0.836 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.525 -1.801 -0.081 1.00 0.00 H new ATOM 728 N ASP A 51 -14.090 -3.613 1.695 1.00 0.00 N ATOM 729 CA ASP A 51 -14.099 -4.828 2.501 1.00 0.00 C ATOM 730 C ASP A 51 -12.883 -5.695 2.191 1.00 0.00 C ATOM 731 O ASP A 51 -11.967 -5.812 3.006 1.00 0.00 O ATOM 732 CB ASP A 51 -15.383 -5.621 2.252 1.00 0.00 C ATOM 733 CG ASP A 51 -16.557 -5.087 3.050 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.567 -5.270 4.285 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.466 -4.487 2.438 1.00 0.00 O ATOM 0 H ASP A 51 -14.872 -3.533 1.044 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.058 -4.538 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.625 -5.590 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.217 -6.667 2.511 1.00 0.00 H new ATOM 740 N ARG A 52 -12.881 -6.302 1.008 1.00 0.00 N ATOM 741 CA ARG A 52 -11.779 -7.160 0.592 1.00 0.00 C ATOM 742 C ARG A 52 -10.451 -6.411 0.658 1.00 0.00 C ATOM 743 O ARG A 52 -9.402 -7.006 0.907 1.00 0.00 O ATOM 744 CB ARG A 52 -12.015 -7.677 -0.829 1.00 0.00 C ATOM 745 CG ARG A 52 -11.942 -6.592 -1.891 1.00 0.00 C ATOM 746 CD ARG A 52 -12.735 -6.972 -3.131 1.00 0.00 C ATOM 747 NE ARG A 52 -14.152 -7.169 -2.836 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.005 -7.743 -3.676 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.587 -8.175 -4.858 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.280 -7.886 -3.335 1.00 0.00 N ATOM 0 H ARG A 52 -13.630 -6.215 0.321 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.733 -8.007 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.275 -8.445 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.994 -8.154 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.327 -5.657 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.901 -6.417 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.627 -6.191 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.323 -7.886 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.506 -6.848 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.608 -8.067 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.244 -8.616 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.605 -7.555 -2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.934 -8.327 -3.981 1.00 0.00 H new ATOM 764 N TYR A 53 -10.504 -5.103 0.433 1.00 0.00 N ATOM 765 CA TYR A 53 -9.306 -4.273 0.465 1.00 0.00 C ATOM 766 C TYR A 53 -9.216 -3.495 1.774 1.00 0.00 C ATOM 767 O TYR A 53 -9.895 -2.484 1.956 1.00 0.00 O ATOM 768 CB TYR A 53 -9.301 -3.303 -0.719 1.00 0.00 C ATOM 769 CG TYR A 53 -8.981 -3.963 -2.041 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.675 -4.298 -2.375 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.986 -4.252 -2.957 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.378 -4.900 -3.582 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.698 -4.855 -4.165 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.393 -5.178 -4.474 1.00 0.00 C ATOM 775 OH TYR A 53 -8.102 -5.778 -5.677 1.00 0.00 O ATOM 0 H TYR A 53 -11.364 -4.595 0.226 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.438 -4.929 0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.277 -2.823 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.572 -2.515 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.878 -4.084 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.009 -4.001 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.357 -5.152 -3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.491 -5.073 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.929 -5.905 -6.188 1.00 0.00 H new ATOM 785 N ILE A 54 -8.373 -3.974 2.682 1.00 0.00 N ATOM 786 CA ILE A 54 -8.192 -3.324 3.974 1.00 0.00 C ATOM 787 C ILE A 54 -7.175 -2.192 3.882 1.00 0.00 C ATOM 788 O ILE A 54 -5.970 -2.412 4.014 1.00 0.00 O ATOM 789 CB ILE A 54 -7.731 -4.326 5.049 1.00 0.00 C ATOM 790 CG1 ILE A 54 -8.746 -5.463 5.186 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.536 -3.620 6.382 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.347 -6.511 6.201 1.00 0.00 C ATOM 0 H ILE A 54 -7.804 -4.810 2.547 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.162 -2.916 4.260 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.776 -4.752 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.712 -5.045 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.877 -5.941 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.210 -4.341 7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.780 -2.842 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.478 -3.170 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.113 -7.285 6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.396 -6.957 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.244 -6.047 7.182 1.00 0.00 H new ATOM 804 N LEU A 55 -7.667 -0.979 3.656 1.00 0.00 N ATOM 805 CA LEU A 55 -6.802 0.191 3.548 1.00 0.00 C ATOM 806 C LEU A 55 -6.784 0.978 4.855 1.00 0.00 C ATOM 807 O LEU A 55 -7.770 0.998 5.592 1.00 0.00 O ATOM 808 CB LEU A 55 -7.269 1.091 2.404 1.00 0.00 C ATOM 809 CG LEU A 55 -6.874 0.646 0.995 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.767 -0.491 0.525 1.00 0.00 C ATOM 811 CD2 LEU A 55 -6.944 1.817 0.026 1.00 0.00 C ATOM 0 H LEU A 55 -8.661 -0.780 3.544 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.789 -0.155 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.355 1.167 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.873 2.093 2.571 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.846 0.285 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.471 -0.795 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.666 -1.337 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.805 -0.157 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.660 1.481 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.961 2.208 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.261 2.601 0.353 1.00 0.00 H new ATOM 823 N ARG A 56 -5.658 1.626 5.134 1.00 0.00 N ATOM 824 CA ARG A 56 -5.512 2.415 6.351 1.00 0.00 C ATOM 825 C ARG A 56 -4.492 3.533 6.155 1.00 0.00 C ATOM 826 O ARG A 56 -3.517 3.374 5.422 1.00 0.00 O ATOM 827 CB ARG A 56 -5.086 1.521 7.517 1.00 0.00 C ATOM 828 CG ARG A 56 -6.227 0.713 8.113 1.00 0.00 C ATOM 829 CD ARG A 56 -5.760 -0.124 9.293 1.00 0.00 C ATOM 830 NE ARG A 56 -6.841 -0.389 10.238 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.646 -0.860 11.465 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.418 -1.115 11.894 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.681 -1.075 12.267 1.00 0.00 N ATOM 0 H ARG A 56 -4.833 1.620 4.534 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.479 2.864 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.308 0.838 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.645 2.141 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.022 1.386 8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.651 0.062 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.356 -1.069 8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.949 0.393 9.806 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.798 -0.202 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.619 -0.950 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.272 -1.476 12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.628 -0.879 11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.530 -1.437 13.209 1.00 0.00 H new ATOM 847 N GLN A 57 -4.727 4.663 6.815 1.00 0.00 N ATOM 848 CA GLN A 57 -3.829 5.808 6.712 1.00 0.00 C ATOM 849 C GLN A 57 -3.543 6.401 8.087 1.00 0.00 C ATOM 850 O GLN A 57 -4.340 7.175 8.617 1.00 0.00 O ATOM 851 CB GLN A 57 -4.433 6.875 5.798 1.00 0.00 C ATOM 852 CG GLN A 57 -3.507 8.054 5.545 1.00 0.00 C ATOM 853 CD GLN A 57 -4.097 9.063 4.580 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.300 9.059 4.318 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.251 9.935 4.044 1.00 0.00 N ATOM 0 H GLN A 57 -5.530 4.810 7.426 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.888 5.463 6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.695 6.418 4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.359 7.240 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.287 8.548 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.560 7.689 5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.261 9.902 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.591 10.637 3.387 1.00 0.00 H new ATOM 864 N GLU A 58 -2.401 6.032 8.660 1.00 0.00 N ATOM 865 CA GLU A 58 -2.012 6.528 9.975 1.00 0.00 C ATOM 866 C GLU A 58 -1.225 7.829 9.854 1.00 0.00 C ATOM 867 O GLU A 58 -0.263 8.056 10.587 1.00 0.00 O ATOM 868 CB GLU A 58 -1.176 5.480 10.712 1.00 0.00 C ATOM 869 CG GLU A 58 -1.983 4.285 11.192 1.00 0.00 C ATOM 870 CD GLU A 58 -2.854 4.611 12.390 1.00 0.00 C ATOM 871 OE1 GLU A 58 -3.263 5.783 12.524 1.00 0.00 O ATOM 872 OE2 GLU A 58 -3.126 3.694 13.192 1.00 0.00 O ATOM 0 H GLU A 58 -1.730 5.392 8.235 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.920 6.725 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.383 5.130 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.693 5.950 11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.612 3.926 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.303 3.473 11.452 1.00 0.00 H new ATOM 879 N GLY A 59 -1.642 8.682 8.923 1.00 0.00 N ATOM 880 CA GLY A 59 -0.965 9.950 8.723 1.00 0.00 C ATOM 881 C GLY A 59 -0.172 9.986 7.432 1.00 0.00 C ATOM 882 O GLY A 59 -0.646 9.533 6.389 1.00 0.00 O ATOM 0 H GLY A 59 -2.436 8.518 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.701 10.754 8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.295 10.137 9.562 1.00 0.00 H new ATOM 886 N THR A 60 1.040 10.529 7.498 1.00 0.00 N ATOM 887 CA THR A 60 1.900 10.625 6.325 1.00 0.00 C ATOM 888 C THR A 60 2.164 9.250 5.723 1.00 0.00 C ATOM 889 O THR A 60 2.656 9.138 4.600 1.00 0.00 O ATOM 890 CB THR A 60 3.246 11.290 6.668 1.00 0.00 C ATOM 891 OG1 THR A 60 3.876 10.592 7.748 1.00 0.00 O ATOM 892 CG2 THR A 60 3.047 12.750 7.050 1.00 0.00 C ATOM 0 H THR A 60 1.448 10.909 8.352 1.00 0.00 H new ATOM 0 HA THR A 60 1.374 11.242 5.597 1.00 0.00 H new ATOM 0 HB THR A 60 3.883 11.245 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.732 11.020 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.011 13.199 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.594 13.286 6.216 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.393 12.813 7.920 1.00 0.00 H new ATOM 900 N ARG A 61 1.834 8.206 6.476 1.00 0.00 N ATOM 901 CA ARG A 61 2.037 6.838 6.016 1.00 0.00 C ATOM 902 C ARG A 61 0.701 6.147 5.760 1.00 0.00 C ATOM 903 O ARG A 61 -0.265 6.347 6.497 1.00 0.00 O ATOM 904 CB ARG A 61 2.844 6.045 7.045 1.00 0.00 C ATOM 905 CG ARG A 61 2.841 4.545 6.799 1.00 0.00 C ATOM 906 CD ARG A 61 1.666 3.870 7.489 1.00 0.00 C ATOM 907 NE ARG A 61 1.986 3.480 8.859 1.00 0.00 N ATOM 908 CZ ARG A 61 1.105 2.944 9.696 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.144 2.734 9.304 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.473 2.616 10.928 1.00 0.00 N ATOM 0 H ARG A 61 1.425 8.282 7.407 1.00 0.00 H new ATOM 0 HA ARG A 61 2.593 6.875 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.874 6.403 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.442 6.242 8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.795 4.351 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.774 4.114 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.812 4.547 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.370 2.988 6.921 1.00 0.00 H new ATOM 0 HE ARG A 61 2.939 3.627 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.430 2.984 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.819 2.322 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.433 2.775 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.796 2.204 11.570 1.00 0.00 H new ATOM 924 N CYS A 62 0.653 5.333 4.710 1.00 0.00 N ATOM 925 CA CYS A 62 -0.565 4.614 4.356 1.00 0.00 C ATOM 926 C CYS A 62 -0.305 3.113 4.269 1.00 0.00 C ATOM 927 O CYS A 62 0.608 2.672 3.573 1.00 0.00 O ATOM 928 CB CYS A 62 -1.115 5.125 3.024 1.00 0.00 C ATOM 929 SG CYS A 62 -1.337 6.919 2.957 1.00 0.00 S ATOM 0 H CYS A 62 1.443 5.155 4.090 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.303 4.793 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.439 4.823 2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.073 4.643 2.830 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.972 7.358 1.789 1.00 0.00 H new ATOM 935 N GLU A 63 -1.112 2.336 4.984 1.00 0.00 N ATOM 936 CA GLU A 63 -0.966 0.885 4.989 1.00 0.00 C ATOM 937 C GLU A 63 -2.043 0.226 4.131 1.00 0.00 C ATOM 938 O GLU A 63 -3.211 0.615 4.175 1.00 0.00 O ATOM 939 CB GLU A 63 -1.040 0.348 6.420 1.00 0.00 C ATOM 940 CG GLU A 63 0.306 0.304 7.124 1.00 0.00 C ATOM 941 CD GLU A 63 0.336 -0.696 8.264 1.00 0.00 C ATOM 942 OE1 GLU A 63 0.476 -1.906 7.988 1.00 0.00 O ATOM 943 OE2 GLU A 63 0.221 -0.267 9.431 1.00 0.00 O ATOM 0 H GLU A 63 -1.873 2.686 5.567 1.00 0.00 H new ATOM 0 HA GLU A 63 0.009 0.642 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.723 0.971 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.464 -0.656 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.081 0.049 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.543 1.296 7.509 1.00 0.00 H new ATOM 950 N LEU A 64 -1.641 -0.771 3.352 1.00 0.00 N ATOM 951 CA LEU A 64 -2.571 -1.484 2.482 1.00 0.00 C ATOM 952 C LEU A 64 -2.526 -2.985 2.752 1.00 0.00 C ATOM 953 O LEU A 64 -1.451 -3.577 2.840 1.00 0.00 O ATOM 954 CB LEU A 64 -2.241 -1.208 1.014 1.00 0.00 C ATOM 955 CG LEU A 64 -2.749 -2.240 0.006 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.264 -2.356 0.079 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.307 -1.871 -1.402 1.00 0.00 C ATOM 0 H LEU A 64 -0.678 -1.105 3.304 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.578 -1.125 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.653 -0.235 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.158 -1.134 0.914 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.319 -3.209 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.608 -3.095 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.557 -2.667 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.714 -1.389 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.677 -2.616 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.708 -0.892 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.218 -1.840 -1.445 1.00 0.00 H new ATOM 969 N GLN A 65 -3.701 -3.593 2.879 1.00 0.00 N ATOM 970 CA GLN A 65 -3.795 -5.026 3.137 1.00 0.00 C ATOM 971 C GLN A 65 -4.807 -5.681 2.203 1.00 0.00 C ATOM 972 O GLN A 65 -6.009 -5.434 2.305 1.00 0.00 O ATOM 973 CB GLN A 65 -4.187 -5.278 4.593 1.00 0.00 C ATOM 974 CG GLN A 65 -2.998 -5.395 5.533 1.00 0.00 C ATOM 975 CD GLN A 65 -3.321 -4.940 6.942 1.00 0.00 C ATOM 976 OE1 GLN A 65 -3.588 -3.762 7.182 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.299 -5.875 7.885 1.00 0.00 N ATOM 0 H GLN A 65 -4.600 -3.117 2.808 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.817 -5.469 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.830 -4.466 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.775 -6.194 4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.660 -6.431 5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.172 -4.800 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.073 -6.839 7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.509 -5.629 8.852 1.00 0.00 H new ATOM 986 N ILE A 66 -4.314 -6.517 1.296 1.00 0.00 N ATOM 987 CA ILE A 66 -5.176 -7.208 0.346 1.00 0.00 C ATOM 988 C ILE A 66 -5.657 -8.541 0.908 1.00 0.00 C ATOM 989 O ILE A 66 -4.964 -9.554 0.810 1.00 0.00 O ATOM 990 CB ILE A 66 -4.453 -7.459 -0.991 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.872 -6.152 -1.534 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.407 -8.080 -2.000 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.642 -6.349 -2.394 1.00 0.00 C ATOM 0 H ILE A 66 -3.322 -6.732 1.199 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.034 -6.560 0.170 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.633 -8.156 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.636 -5.639 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.620 -5.500 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.882 -8.251 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.778 -9.029 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.246 -7.405 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.284 -5.381 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.862 -6.834 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.893 -6.975 -3.251 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.848 -8.533 1.497 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.423 -9.742 2.075 1.00 0.00 C ATOM 1007 C CYS A 67 -7.791 -10.744 0.986 1.00 0.00 C ATOM 1008 O CYS A 67 -8.622 -10.460 0.123 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.659 -9.397 2.907 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.093 -10.648 4.138 1.00 0.00 S ATOM 0 H CYS A 67 -7.434 -7.703 1.587 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.674 -10.197 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.489 -8.447 3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.506 -9.253 2.237 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.149 -10.265 4.792 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.166 -11.916 1.031 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.441 -12.942 0.041 1.00 0.00 C ATOM 1018 C GLY A 68 -6.520 -12.850 -1.160 1.00 0.00 C ATOM 1019 O GLY A 68 -6.962 -12.554 -2.270 1.00 0.00 O ATOM 0 H GLY A 68 -6.474 -12.174 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.336 -13.924 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.476 -12.855 -0.291 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.234 -13.103 -0.938 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.247 -13.046 -2.010 1.00 0.00 C ATOM 1025 C LEU A 69 -4.482 -14.159 -3.026 1.00 0.00 C ATOM 1026 O LEU A 69 -5.245 -15.091 -2.775 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.834 -13.154 -1.435 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.265 -11.881 -0.806 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -1.034 -12.201 0.026 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.933 -10.858 -1.883 1.00 0.00 C ATOM 0 H LEU A 69 -4.851 -13.349 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.353 -12.088 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.830 -13.941 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.162 -13.473 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.021 -11.454 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.643 -11.283 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.303 -12.898 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.272 -12.652 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.529 -9.958 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.194 -11.276 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.838 -10.606 -2.436 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.818 -14.056 -4.173 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.951 -15.056 -5.225 1.00 0.00 C ATOM 1044 C ALA A 70 -2.979 -14.783 -6.368 1.00 0.00 C ATOM 1045 O ALA A 70 -2.581 -13.641 -6.597 1.00 0.00 O ATOM 1046 CB ALA A 70 -5.382 -15.090 -5.743 1.00 0.00 C ATOM 0 H ALA A 70 -3.183 -13.290 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.707 -16.030 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.467 -15.841 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.059 -15.341 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.646 -14.112 -6.146 1.00 0.00 H new ATOM 1052 N MET A 71 -2.601 -15.838 -7.082 1.00 0.00 N ATOM 1053 CA MET A 71 -1.676 -15.711 -8.202 1.00 0.00 C ATOM 1054 C MET A 71 -1.914 -14.408 -8.958 1.00 0.00 C ATOM 1055 O MET A 71 -0.972 -13.778 -9.440 1.00 0.00 O ATOM 1056 CB MET A 71 -1.826 -16.900 -9.152 1.00 0.00 C ATOM 1057 CG MET A 71 -1.466 -18.234 -8.518 1.00 0.00 C ATOM 1058 SD MET A 71 0.298 -18.597 -8.618 1.00 0.00 S ATOM 1059 CE MET A 71 0.874 -17.904 -7.070 1.00 0.00 C ATOM 0 H MET A 71 -2.921 -16.790 -6.905 1.00 0.00 H new ATOM 0 HA MET A 71 -0.661 -15.699 -7.804 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.855 -16.942 -9.508 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.193 -16.739 -10.025 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.773 -18.230 -7.472 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.025 -19.029 -9.011 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.611 -18.572 -6.624 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.331 -16.932 -7.254 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.032 -17.786 -6.388 1.00 0.00 H new ATOM 1069 N ALA A 72 -3.177 -14.008 -9.058 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.538 -12.779 -9.754 1.00 0.00 C ATOM 1071 C ALA A 72 -2.954 -11.559 -9.050 1.00 0.00 C ATOM 1072 O ALA A 72 -2.345 -10.697 -9.684 1.00 0.00 O ATOM 1073 CB ALA A 72 -5.050 -12.657 -9.860 1.00 0.00 C ATOM 0 H ALA A 72 -3.968 -14.518 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.118 -12.822 -10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.305 -11.735 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.446 -13.508 -10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.485 -12.640 -8.861 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.145 -11.491 -7.737 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.638 -10.376 -6.947 1.00 0.00 C ATOM 1081 C ASP A 73 -1.205 -10.034 -7.347 1.00 0.00 C ATOM 1082 O ASP A 73 -0.799 -8.874 -7.304 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.698 -10.710 -5.456 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.059 -10.422 -4.853 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.957 -11.280 -4.978 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.226 -9.337 -4.256 1.00 0.00 O ATOM 0 H ASP A 73 -3.648 -12.196 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.268 -9.508 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.456 -11.763 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.940 -10.133 -4.927 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.446 -11.053 -7.734 1.00 0.00 N ATOM 1092 CA ALA A 74 0.940 -10.861 -8.142 1.00 0.00 C ATOM 1093 C ALA A 74 1.028 -10.015 -9.408 1.00 0.00 C ATOM 1094 O ALA A 74 0.606 -10.441 -10.482 1.00 0.00 O ATOM 1095 CB ALA A 74 1.619 -12.206 -8.356 1.00 0.00 C ATOM 0 H ALA A 74 -0.767 -12.020 -7.774 1.00 0.00 H new ATOM 0 HA ALA A 74 1.457 -10.328 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.653 -12.047 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.598 -12.776 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.093 -12.759 -9.134 1.00 0.00 H new ATOM 1101 N GLY A 75 1.578 -8.812 -9.273 1.00 0.00 N ATOM 1102 CA GLY A 75 1.710 -7.924 -10.414 1.00 0.00 C ATOM 1103 C GLY A 75 2.441 -6.642 -10.070 1.00 0.00 C ATOM 1104 O GLY A 75 3.604 -6.672 -9.670 1.00 0.00 O ATOM 0 H GLY A 75 1.934 -8.436 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.244 -8.440 -11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.719 -7.682 -10.798 1.00 0.00 H new ATOM 1108 N GLU A 76 1.758 -5.512 -10.227 1.00 0.00 N ATOM 1109 CA GLU A 76 2.352 -4.214 -9.932 1.00 0.00 C ATOM 1110 C GLU A 76 1.335 -3.287 -9.272 1.00 0.00 C ATOM 1111 O GLU A 76 0.322 -2.929 -9.875 1.00 0.00 O ATOM 1112 CB GLU A 76 2.889 -3.571 -11.212 1.00 0.00 C ATOM 1113 CG GLU A 76 3.292 -2.116 -11.040 1.00 0.00 C ATOM 1114 CD GLU A 76 3.783 -1.490 -12.331 1.00 0.00 C ATOM 1115 OE1 GLU A 76 3.453 -2.024 -13.411 1.00 0.00 O ATOM 1116 OE2 GLU A 76 4.497 -0.468 -12.262 1.00 0.00 O ATOM 0 H GLU A 76 0.794 -5.470 -10.557 1.00 0.00 H new ATOM 0 HA GLU A 76 3.178 -4.371 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.752 -4.139 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.128 -3.639 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.440 -1.549 -10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.076 -2.047 -10.286 1.00 0.00 H new ATOM 1123 N TYR A 77 1.611 -2.904 -8.031 1.00 0.00 N ATOM 1124 CA TYR A 77 0.719 -2.021 -7.287 1.00 0.00 C ATOM 1125 C TYR A 77 1.227 -0.583 -7.316 1.00 0.00 C ATOM 1126 O TYR A 77 2.407 -0.323 -7.073 1.00 0.00 O ATOM 1127 CB TYR A 77 0.586 -2.498 -5.840 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.123 -3.826 -5.703 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.505 -5.012 -6.064 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.421 -3.896 -5.213 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.139 -6.228 -5.941 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.073 -5.107 -5.085 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.427 -6.270 -5.450 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.074 -7.479 -5.326 1.00 0.00 O ATOM 0 H TYR A 77 2.445 -3.191 -7.518 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.261 -2.050 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.580 -2.579 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.044 -1.746 -5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.514 -4.983 -6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.930 -2.987 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.363 -7.140 -6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.082 -5.143 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.631 -8.147 -5.890 1.00 0.00 H new ATOM 1144 N LEU A 78 0.329 0.349 -7.615 1.00 0.00 N ATOM 1145 CA LEU A 78 0.684 1.762 -7.676 1.00 0.00 C ATOM 1146 C LEU A 78 -0.110 2.567 -6.652 1.00 0.00 C ATOM 1147 O LEU A 78 -1.265 2.253 -6.361 1.00 0.00 O ATOM 1148 CB LEU A 78 0.431 2.312 -9.081 1.00 0.00 C ATOM 1149 CG LEU A 78 1.275 1.704 -10.202 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.618 0.443 -10.741 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.488 2.716 -11.318 1.00 0.00 C ATOM 0 H LEU A 78 -0.651 0.151 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 78 1.744 1.855 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.621 2.163 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.605 3.388 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 78 2.249 1.435 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.233 0.024 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.518 -0.287 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.369 0.687 -11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.091 2.266 -12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.523 3.017 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.003 3.591 -10.922 1.00 0.00 H new ATOM 1163 N CYS A 79 0.516 3.607 -6.111 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.133 4.458 -5.120 1.00 0.00 C ATOM 1165 C CYS A 79 -0.118 5.917 -5.564 1.00 0.00 C ATOM 1166 O CYS A 79 0.918 6.581 -5.518 1.00 0.00 O ATOM 1167 CB CYS A 79 0.560 4.318 -3.764 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.522 4.618 -2.347 1.00 0.00 S ATOM 0 H CYS A 79 1.471 3.881 -6.342 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.170 4.136 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.977 3.314 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.397 5.015 -3.722 1.00 0.00 H new ATOM 0 HG CYS A 79 0.191 4.677 -1.261 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.274 6.411 -5.996 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.395 7.792 -6.449 1.00 0.00 C ATOM 1176 C VAL A 80 -1.684 8.730 -5.283 1.00 0.00 C ATOM 1177 O VAL A 80 -2.666 8.555 -4.561 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.508 7.942 -7.503 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.393 9.280 -8.215 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.457 6.792 -8.498 1.00 0.00 C ATOM 0 H VAL A 80 -2.141 5.875 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.440 8.062 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.472 7.911 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.188 9.367 -8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.483 10.088 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.425 9.346 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.250 6.914 -9.236 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.490 6.789 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.594 5.848 -7.970 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.823 9.726 -5.105 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.986 10.693 -4.025 1.00 0.00 C ATOM 1192 C CYS A 81 -1.325 12.073 -4.578 1.00 0.00 C ATOM 1193 O CYS A 81 -0.991 13.093 -3.977 1.00 0.00 O ATOM 1194 CB CYS A 81 0.288 10.766 -3.182 1.00 0.00 C ATOM 1195 SG CYS A 81 0.120 11.751 -1.675 1.00 0.00 S ATOM 0 H CYS A 81 -0.006 9.885 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.811 10.362 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.590 9.754 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.090 11.185 -3.790 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.548 12.835 -1.937 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.989 12.097 -5.729 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.361 13.357 -6.345 1.00 0.00 C ATOM 1203 C GLY A 82 -1.587 13.630 -7.620 1.00 0.00 C ATOM 1204 O GLY A 82 -1.961 13.158 -8.693 1.00 0.00 O ATOM 0 H GLY A 82 -2.276 11.266 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.428 13.349 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.188 14.168 -5.638 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.506 14.395 -7.502 1.00 0.00 N ATOM 1209 CA GLN A 83 0.320 14.731 -8.655 1.00 0.00 C ATOM 1210 C GLN A 83 1.415 13.690 -8.862 1.00 0.00 C ATOM 1211 O GLN A 83 1.888 13.488 -9.980 1.00 0.00 O ATOM 1212 CB GLN A 83 0.945 16.116 -8.475 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.028 17.258 -8.716 1.00 0.00 C ATOM 1214 CD GLN A 83 0.659 18.609 -8.770 1.00 0.00 C ATOM 1215 OE1 GLN A 83 1.540 18.837 -9.599 1.00 0.00 O ATOM 1216 NE2 GLN A 83 0.258 19.513 -7.884 1.00 0.00 N ATOM 0 H GLN A 83 -0.182 14.793 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.319 14.740 -9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.344 16.197 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.788 16.217 -9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.558 17.087 -9.653 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.776 17.266 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.476 19.281 -7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.684 20.440 -7.873 1.00 0.00 H new ATOM 1225 N GLU A 84 1.813 13.032 -7.778 1.00 0.00 N ATOM 1226 CA GLU A 84 2.853 12.012 -7.842 1.00 0.00 C ATOM 1227 C GLU A 84 2.256 10.616 -7.691 1.00 0.00 C ATOM 1228 O GLU A 84 1.073 10.465 -7.385 1.00 0.00 O ATOM 1229 CB GLU A 84 3.901 12.251 -6.753 1.00 0.00 C ATOM 1230 CG GLU A 84 4.781 13.463 -7.010 1.00 0.00 C ATOM 1231 CD GLU A 84 5.371 13.469 -8.407 1.00 0.00 C ATOM 1232 OE1 GLU A 84 6.074 12.498 -8.758 1.00 0.00 O ATOM 1233 OE2 GLU A 84 5.130 14.444 -9.149 1.00 0.00 O ATOM 0 H GLU A 84 1.431 13.187 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 84 3.333 12.080 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.396 12.376 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.532 11.366 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.195 14.370 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.589 13.483 -6.278 1.00 0.00 H new ATOM 1240 N ARG A 85 3.083 9.599 -7.908 1.00 0.00 N ATOM 1241 CA ARG A 85 2.638 8.215 -7.798 1.00 0.00 C ATOM 1242 C ARG A 85 3.819 7.254 -7.892 1.00 0.00 C ATOM 1243 O ARG A 85 4.786 7.509 -8.611 1.00 0.00 O ATOM 1244 CB ARG A 85 1.619 7.896 -8.894 1.00 0.00 C ATOM 1245 CG ARG A 85 2.203 7.934 -10.297 1.00 0.00 C ATOM 1246 CD ARG A 85 1.432 7.029 -11.246 1.00 0.00 C ATOM 1247 NE ARG A 85 2.007 7.027 -12.588 1.00 0.00 N ATOM 1248 CZ ARG A 85 1.719 7.938 -13.511 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.870 8.919 -13.238 1.00 0.00 N ATOM 1250 NH2 ARG A 85 2.283 7.870 -14.711 1.00 0.00 N ATOM 0 H ARG A 85 4.065 9.707 -8.161 1.00 0.00 H new ATOM 0 HA ARG A 85 2.166 8.088 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.199 6.907 -8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.796 8.608 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.184 8.957 -10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.248 7.625 -10.266 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.426 6.012 -10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.394 7.357 -11.297 1.00 0.00 H new ATOM 0 HE ARG A 85 2.665 6.286 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.436 8.976 -12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.651 9.617 -13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.938 7.118 -14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.061 8.570 -15.419 1.00 0.00 H new ATOM 1264 N THR A 86 3.735 6.148 -7.159 1.00 0.00 N ATOM 1265 CA THR A 86 4.798 5.150 -7.158 1.00 0.00 C ATOM 1266 C THR A 86 4.280 3.796 -7.631 1.00 0.00 C ATOM 1267 O THR A 86 3.081 3.618 -7.841 1.00 0.00 O ATOM 1268 CB THR A 86 5.416 4.989 -5.757 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.332 3.889 -5.748 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.335 4.763 -4.710 1.00 0.00 C ATOM 0 H THR A 86 2.942 5.921 -6.559 1.00 0.00 H new ATOM 0 HA THR A 86 5.565 5.504 -7.847 1.00 0.00 H new ATOM 0 HB THR A 86 5.950 5.908 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.095 4.094 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.796 4.652 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.656 5.616 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.777 3.859 -4.953 1.00 0.00 H new ATOM 1278 N SER A 87 5.193 2.843 -7.795 1.00 0.00 N ATOM 1279 CA SER A 87 4.829 1.505 -8.246 1.00 0.00 C ATOM 1280 C SER A 87 5.760 0.457 -7.645 1.00 0.00 C ATOM 1281 O SER A 87 6.963 0.680 -7.517 1.00 0.00 O ATOM 1282 CB SER A 87 4.875 1.429 -9.773 1.00 0.00 C ATOM 1283 OG SER A 87 6.212 1.425 -10.243 1.00 0.00 O ATOM 0 H SER A 87 6.190 2.973 -7.622 1.00 0.00 H new ATOM 0 HA SER A 87 3.813 1.299 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.365 0.527 -10.111 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.339 2.277 -10.199 1.00 0.00 H new ATOM 0 HG SER A 87 6.215 1.374 -11.222 1.00 0.00 H new ATOM 1289 N ALA A 88 5.193 -0.687 -7.276 1.00 0.00 N ATOM 1290 CA ALA A 88 5.971 -1.771 -6.690 1.00 0.00 C ATOM 1291 C ALA A 88 5.651 -3.103 -7.361 1.00 0.00 C ATOM 1292 O ALA A 88 4.744 -3.190 -8.190 1.00 0.00 O ATOM 1293 CB ALA A 88 5.713 -1.857 -5.193 1.00 0.00 C ATOM 0 H ALA A 88 4.197 -0.887 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 88 7.027 -1.556 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.301 -2.671 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.999 -0.918 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.654 -2.044 -5.016 1.00 0.00 H new ATOM 1299 N THR A 89 6.402 -4.138 -7.000 1.00 0.00 N ATOM 1300 CA THR A 89 6.199 -5.465 -7.569 1.00 0.00 C ATOM 1301 C THR A 89 5.935 -6.496 -6.478 1.00 0.00 C ATOM 1302 O THR A 89 6.799 -6.766 -5.642 1.00 0.00 O ATOM 1303 CB THR A 89 7.417 -5.912 -8.399 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.830 -4.855 -9.272 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.088 -7.152 -9.216 1.00 0.00 C ATOM 0 H THR A 89 7.157 -4.083 -6.316 1.00 0.00 H new ATOM 0 HA THR A 89 5.328 -5.400 -8.222 1.00 0.00 H new ATOM 0 HB THR A 89 8.229 -6.153 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.606 -5.147 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.963 -7.449 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.802 -7.963 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.263 -6.933 -9.894 1.00 0.00 H new ATOM 1313 N LEU A 90 4.738 -7.071 -6.491 1.00 0.00 N ATOM 1314 CA LEU A 90 4.360 -8.075 -5.502 1.00 0.00 C ATOM 1315 C LEU A 90 4.444 -9.479 -6.092 1.00 0.00 C ATOM 1316 O LEU A 90 4.051 -9.709 -7.237 1.00 0.00 O ATOM 1317 CB LEU A 90 2.944 -7.808 -4.991 1.00 0.00 C ATOM 1318 CG LEU A 90 2.404 -8.801 -3.960 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.189 -8.703 -2.662 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.923 -8.557 -3.710 1.00 0.00 C ATOM 0 H LEU A 90 4.012 -6.859 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 90 5.059 -8.009 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.920 -6.810 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.267 -7.797 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 90 2.524 -9.809 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.790 -9.417 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.238 -8.928 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.102 -7.694 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.556 -9.272 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.779 -7.544 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.372 -8.680 -4.642 1.00 0.00 H new ATOM 1332 N THR A 91 4.957 -10.418 -5.303 1.00 0.00 N ATOM 1333 CA THR A 91 5.092 -11.800 -5.746 1.00 0.00 C ATOM 1334 C THR A 91 4.270 -12.740 -4.872 1.00 0.00 C ATOM 1335 O THR A 91 4.470 -12.809 -3.659 1.00 0.00 O ATOM 1336 CB THR A 91 6.563 -12.255 -5.727 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.311 -11.538 -6.716 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.671 -13.750 -5.989 1.00 0.00 C ATOM 0 H THR A 91 5.286 -10.246 -4.353 1.00 0.00 H new ATOM 0 HA THR A 91 4.720 -11.841 -6.770 1.00 0.00 H new ATOM 0 HB THR A 91 6.972 -12.044 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.246 -11.832 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.719 -14.048 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.126 -14.295 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.246 -13.980 -6.966 1.00 0.00 H new ATOM 1346 N ILE A 92 3.345 -13.463 -5.495 1.00 0.00 N ATOM 1347 CA ILE A 92 2.494 -14.400 -4.773 1.00 0.00 C ATOM 1348 C ILE A 92 3.090 -15.804 -4.784 1.00 0.00 C ATOM 1349 O ILE A 92 3.590 -16.269 -5.809 1.00 0.00 O ATOM 1350 CB ILE A 92 1.077 -14.452 -5.373 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.405 -13.081 -5.267 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.243 -15.513 -4.672 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.294 -12.571 -3.847 1.00 0.00 C ATOM 0 H ILE A 92 3.166 -13.418 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 92 2.431 -14.042 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 92 1.154 -14.718 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.970 -12.362 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.592 -13.140 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.756 -15.537 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.716 -16.487 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.170 -15.276 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.192 -11.595 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.296 -13.270 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.290 -12.480 -3.414 1.00 0.00 H new ATOM 1365 N ARG A 93 3.032 -16.475 -3.638 1.00 0.00 N ATOM 1366 CA ARG A 93 3.565 -17.826 -3.516 1.00 0.00 C ATOM 1367 C ARG A 93 2.447 -18.830 -3.253 1.00 0.00 C ATOM 1368 O ARG A 93 1.755 -18.752 -2.239 1.00 0.00 O ATOM 1369 CB ARG A 93 4.598 -17.890 -2.389 1.00 0.00 C ATOM 1370 CG ARG A 93 5.840 -17.055 -2.654 1.00 0.00 C ATOM 1371 CD ARG A 93 7.067 -17.655 -1.984 1.00 0.00 C ATOM 1372 NE ARG A 93 8.057 -16.637 -1.643 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.080 -16.852 -0.824 1.00 0.00 C ATOM 1374 NH1 ARG A 93 9.247 -18.043 -0.265 1.00 0.00 N ATOM 1375 NH2 ARG A 93 9.939 -15.875 -0.562 1.00 0.00 N ATOM 0 H ARG A 93 2.621 -16.105 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 93 4.048 -18.085 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.134 -17.552 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.894 -18.928 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.009 -16.983 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.683 -16.041 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.764 -18.184 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.519 -18.392 -2.648 1.00 0.00 H new ATOM 0 HE ARG A 93 7.957 -15.710 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.589 -18.796 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.034 -18.206 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.814 -14.958 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.724 -16.041 0.067 1.00 0.00 H new ATOM 1389 N ALA A 94 2.276 -19.772 -4.175 1.00 0.00 N ATOM 1390 CA ALA A 94 1.243 -20.792 -4.042 1.00 0.00 C ATOM 1391 C ALA A 94 1.393 -21.558 -2.733 1.00 0.00 C ATOM 1392 O ALA A 94 2.489 -21.995 -2.379 1.00 0.00 O ATOM 1393 CB ALA A 94 1.291 -21.749 -5.224 1.00 0.00 C ATOM 0 H ALA A 94 2.839 -19.850 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 94 0.274 -20.293 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.514 -22.505 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.127 -21.195 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.267 -22.234 -5.260 1.00 0.00 H new ATOM 1399 N LEU A 95 0.286 -21.717 -2.015 1.00 0.00 N ATOM 1400 CA LEU A 95 0.295 -22.431 -0.743 1.00 0.00 C ATOM 1401 C LEU A 95 0.729 -23.880 -0.934 1.00 0.00 C ATOM 1402 O LEU A 95 0.453 -24.507 -1.957 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.092 -22.383 -0.100 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.477 -21.063 0.570 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.980 -20.847 0.500 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -0.999 -21.038 2.014 1.00 0.00 C ATOM 0 H LEU A 95 -0.629 -21.361 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 95 1.012 -21.941 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.834 -22.608 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.153 -23.176 0.645 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.989 -20.250 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.235 -19.903 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.295 -20.819 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.489 -21.664 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.282 -20.091 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.458 -21.860 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.085 -21.144 2.040 1.00 0.00 H new