USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 73 ASN : amide:sc= -2.45 K(o=-2.4,f=-10!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -0.237 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= -0.918 (180deg=-3.22!) USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 49 SER OG : rot -31:sc= 0.109 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0758 K(o=-0.076,f=-0.73) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.7 K(o=-3.7,f=-9.9!) USER MOD Single : A 87 GLN : amide:sc= -3.9! C(o=-3.9!,f=-3.8!) USER MOD Single : A 91 SER OG : rot 90:sc= 1.2 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.354 15.331 4.862 1.00 0.00 N ATOM 81 CA GLY A 9 -4.706 14.302 4.071 1.00 0.00 C ATOM 82 C GLY A 9 -3.195 14.419 4.093 1.00 0.00 C ATOM 83 O GLY A 9 -2.489 13.418 4.224 1.00 0.00 O ATOM 0 HA2 GLY A 9 -4.997 13.321 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.057 14.365 3.041 1.00 0.00 H new ATOM 87 N LEU A 10 -2.696 15.643 3.962 1.00 0.00 N ATOM 88 CA LEU A 10 -1.258 15.888 3.966 1.00 0.00 C ATOM 89 C LEU A 10 -0.729 16.005 5.392 1.00 0.00 C ATOM 90 O LEU A 10 0.260 16.693 5.643 1.00 0.00 O ATOM 91 CB LEU A 10 -0.936 17.163 3.185 1.00 0.00 C ATOM 92 CG LEU A 10 -1.777 18.392 3.529 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.046 18.423 2.691 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.116 18.408 5.013 1.00 0.00 C ATOM 0 H LEU A 10 -3.266 16.482 3.852 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.769 15.041 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.113 17.409 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.054 16.953 2.122 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.193 19.283 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.632 19.305 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.783 18.460 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.634 17.526 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.715 19.290 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.680 17.511 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.196 18.435 5.596 1.00 0.00 H new ATOM 106 N ARG A 11 -1.394 15.326 6.321 1.00 0.00 N ATOM 107 CA ARG A 11 -0.990 15.352 7.722 1.00 0.00 C ATOM 108 C ARG A 11 -0.166 14.117 8.074 1.00 0.00 C ATOM 109 O ARG A 11 -0.192 13.117 7.356 1.00 0.00 O ATOM 110 CB ARG A 11 -2.220 15.434 8.628 1.00 0.00 C ATOM 111 CG ARG A 11 -3.167 16.566 8.268 1.00 0.00 C ATOM 112 CD ARG A 11 -4.435 16.519 9.107 1.00 0.00 C ATOM 113 NE ARG A 11 -5.156 15.261 8.939 1.00 0.00 N ATOM 114 CZ ARG A 11 -6.201 14.908 9.680 1.00 0.00 C ATOM 115 NH1 ARG A 11 -6.645 15.715 10.633 1.00 0.00 N ATOM 116 NH2 ARG A 11 -6.804 13.745 9.467 1.00 0.00 N ATOM 0 H ARG A 11 -2.215 14.751 6.129 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.372 16.236 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.761 14.489 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.893 15.560 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.666 17.522 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.426 16.503 7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.179 16.653 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.085 17.349 8.829 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.840 14.618 8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.184 16.610 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.447 15.441 11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.465 13.122 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.606 13.475 10.036 1.00 0.00 H new ATOM 130 N GLU A 12 0.563 14.194 9.183 1.00 0.00 N ATOM 131 CA GLU A 12 1.395 13.082 9.628 1.00 0.00 C ATOM 132 C GLU A 12 0.534 11.904 10.076 1.00 0.00 C ATOM 133 O GLU A 12 -0.095 11.948 11.134 1.00 0.00 O ATOM 134 CB GLU A 12 2.308 13.526 10.773 1.00 0.00 C ATOM 135 CG GLU A 12 3.427 12.543 11.075 1.00 0.00 C ATOM 136 CD GLU A 12 4.327 13.012 12.202 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.901 12.931 13.373 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.456 13.461 11.912 1.00 0.00 O ATOM 0 H GLU A 12 0.594 15.014 9.789 1.00 0.00 H new ATOM 0 HA GLU A 12 2.009 12.761 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.743 14.494 10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.707 13.667 11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.996 11.577 11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.025 12.392 10.176 1.00 0.00 H new ATOM 145 N LEU A 13 0.512 10.853 9.264 1.00 0.00 N ATOM 146 CA LEU A 13 -0.272 9.663 9.576 1.00 0.00 C ATOM 147 C LEU A 13 0.637 8.467 9.842 1.00 0.00 C ATOM 148 O LEU A 13 1.786 8.437 9.399 1.00 0.00 O ATOM 149 CB LEU A 13 -1.230 9.344 8.427 1.00 0.00 C ATOM 150 CG LEU A 13 -2.468 10.235 8.318 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.010 10.225 6.897 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.538 9.783 9.302 1.00 0.00 C ATOM 0 H LEU A 13 1.027 10.800 8.385 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.850 9.865 10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.676 9.409 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.559 8.310 8.531 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.180 11.256 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.891 10.865 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.246 10.596 6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.282 9.207 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.412 10.428 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.822 8.754 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.147 9.843 10.318 1.00 0.00 H new ATOM 164 N CYS A 14 0.115 7.484 10.566 1.00 0.00 N ATOM 165 CA CYS A 14 0.879 6.284 10.891 1.00 0.00 C ATOM 166 C CYS A 14 0.006 5.038 10.781 1.00 0.00 C ATOM 167 O CYS A 14 -1.220 5.130 10.720 1.00 0.00 O ATOM 168 CB CYS A 14 1.462 6.391 12.300 1.00 0.00 C ATOM 169 SG CYS A 14 0.233 6.721 13.585 1.00 0.00 S ATOM 0 H CYS A 14 -0.834 7.494 10.939 1.00 0.00 H new ATOM 0 HA CYS A 14 1.696 6.198 10.174 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.981 5.462 12.538 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.208 7.185 12.313 1.00 0.00 H new ATOM 0 HG CYS A 14 0.823 6.792 14.741 1.00 0.00 H new ATOM 175 N ILE A 15 0.647 3.874 10.755 1.00 0.00 N ATOM 176 CA ILE A 15 -0.071 2.610 10.652 1.00 0.00 C ATOM 177 C ILE A 15 0.378 1.633 11.735 1.00 0.00 C ATOM 178 O ILE A 15 1.467 1.065 11.658 1.00 0.00 O ATOM 179 CB ILE A 15 0.133 1.957 9.272 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.262 2.931 8.160 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.675 0.672 9.170 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.075 2.368 6.769 1.00 0.00 C ATOM 0 H ILE A 15 1.662 3.780 10.804 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.129 2.836 10.785 1.00 0.00 H new ATOM 0 HB ILE A 15 1.188 1.710 9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.306 3.215 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.330 3.841 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.521 0.222 8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.351 -0.024 9.944 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.733 0.896 9.304 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.375 3.113 6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.973 2.110 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.689 1.475 6.653 1.00 0.00 H new ATOM 194 N GLN A 16 -0.470 1.444 12.741 1.00 0.00 N ATOM 195 CA GLN A 16 -0.160 0.535 13.838 1.00 0.00 C ATOM 196 C GLN A 16 -0.443 -0.911 13.444 1.00 0.00 C ATOM 197 O GLN A 16 -1.584 -1.276 13.157 1.00 0.00 O ATOM 198 CB GLN A 16 -0.973 0.906 15.080 1.00 0.00 C ATOM 199 CG GLN A 16 -0.250 1.859 16.018 1.00 0.00 C ATOM 200 CD GLN A 16 -1.202 2.746 16.795 1.00 0.00 C ATOM 201 OE1 GLN A 16 -1.294 2.655 18.020 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.917 3.612 16.087 1.00 0.00 N ATOM 0 H GLN A 16 -1.375 1.907 12.819 1.00 0.00 H new ATOM 0 HA GLN A 16 0.902 0.629 14.065 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.913 1.361 14.766 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.226 -0.004 15.624 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.357 1.284 16.717 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.433 2.483 15.441 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.809 3.654 15.074 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.574 4.235 16.556 1.00 0.00 H new ATOM 211 N LYS A 17 0.602 -1.731 13.432 1.00 0.00 N ATOM 212 CA LYS A 17 0.467 -3.138 13.074 1.00 0.00 C ATOM 213 C LYS A 17 1.065 -4.034 14.153 1.00 0.00 C ATOM 214 O LYS A 17 1.756 -3.560 15.054 1.00 0.00 O ATOM 215 CB LYS A 17 1.151 -3.412 11.732 1.00 0.00 C ATOM 216 CG LYS A 17 2.653 -3.604 11.843 1.00 0.00 C ATOM 217 CD LYS A 17 3.352 -3.313 10.526 1.00 0.00 C ATOM 218 CE LYS A 17 3.420 -1.819 10.250 1.00 0.00 C ATOM 219 NZ LYS A 17 4.544 -1.170 10.979 1.00 0.00 N ATOM 0 H LYS A 17 1.553 -1.445 13.666 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.596 -3.364 12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.711 -4.304 11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.948 -2.583 11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.048 -2.948 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.868 -4.627 12.152 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.360 -3.726 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.822 -3.810 9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.538 -1.653 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.480 -1.353 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.185 -0.353 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.972 -1.853 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.261 -0.850 10.297 1.00 0.00 H new ATOM 233 N ALA A 18 0.796 -5.332 14.055 1.00 0.00 N ATOM 234 CA ALA A 18 1.310 -6.294 15.021 1.00 0.00 C ATOM 235 C ALA A 18 2.793 -6.063 15.290 1.00 0.00 C ATOM 236 O ALA A 18 3.466 -5.310 14.586 1.00 0.00 O ATOM 237 CB ALA A 18 1.077 -7.714 14.528 1.00 0.00 C ATOM 0 H ALA A 18 0.225 -5.741 13.316 1.00 0.00 H new ATOM 0 HA ALA A 18 0.771 -6.153 15.958 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.466 -8.422 15.260 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.008 -7.882 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.589 -7.858 13.577 1.00 0.00 H new ATOM 243 N PRO A 19 3.317 -6.724 16.333 1.00 0.00 N ATOM 244 CA PRO A 19 4.726 -6.606 16.719 1.00 0.00 C ATOM 245 C PRO A 19 5.661 -7.262 15.708 1.00 0.00 C ATOM 246 O PRO A 19 6.877 -7.280 15.893 1.00 0.00 O ATOM 247 CB PRO A 19 4.789 -7.340 18.061 1.00 0.00 C ATOM 248 CG PRO A 19 3.656 -8.306 18.018 1.00 0.00 C ATOM 249 CD PRO A 19 2.573 -7.639 17.216 1.00 0.00 C ATOM 0 HA PRO A 19 5.049 -5.566 16.771 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.742 -7.853 18.187 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.687 -6.647 18.896 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.961 -9.245 17.556 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.307 -8.543 19.023 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.991 -8.363 16.646 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.873 -7.100 17.855 1.00 0.00 H new ATOM 257 N GLY A 20 5.084 -7.800 14.638 1.00 0.00 N ATOM 258 CA GLY A 20 5.881 -8.450 13.613 1.00 0.00 C ATOM 259 C GLY A 20 5.083 -8.743 12.358 1.00 0.00 C ATOM 260 O GLY A 20 5.193 -9.826 11.785 1.00 0.00 O ATOM 0 H GLY A 20 4.079 -7.798 14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.730 -7.815 13.360 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.286 -9.382 14.008 1.00 0.00 H new ATOM 264 N GLU A 21 4.278 -7.776 11.930 1.00 0.00 N ATOM 265 CA GLU A 21 3.457 -7.938 10.736 1.00 0.00 C ATOM 266 C GLU A 21 3.943 -7.024 9.614 1.00 0.00 C ATOM 267 O GLU A 21 4.361 -5.892 9.859 1.00 0.00 O ATOM 268 CB GLU A 21 1.991 -7.639 11.053 1.00 0.00 C ATOM 269 CG GLU A 21 1.044 -7.948 9.905 1.00 0.00 C ATOM 270 CD GLU A 21 1.131 -9.391 9.450 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.436 -10.262 10.292 1.00 0.00 O ATOM 272 OE2 GLU A 21 0.893 -9.650 8.252 1.00 0.00 O ATOM 0 H GLU A 21 4.177 -6.872 12.392 1.00 0.00 H new ATOM 0 HA GLU A 21 3.545 -8.972 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.691 -8.219 11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.893 -6.587 11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.022 -7.729 10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.271 -7.292 9.065 1.00 0.00 H new ATOM 279 N ARG A 22 3.885 -7.524 8.385 1.00 0.00 N ATOM 280 CA ARG A 22 4.320 -6.755 7.225 1.00 0.00 C ATOM 281 C ARG A 22 3.185 -5.884 6.694 1.00 0.00 C ATOM 282 O ARG A 22 2.102 -6.379 6.380 1.00 0.00 O ATOM 283 CB ARG A 22 4.817 -7.691 6.122 1.00 0.00 C ATOM 284 CG ARG A 22 4.026 -8.984 6.018 1.00 0.00 C ATOM 285 CD ARG A 22 4.593 -10.060 6.930 1.00 0.00 C ATOM 286 NE ARG A 22 5.651 -10.827 6.280 1.00 0.00 N ATOM 287 CZ ARG A 22 5.443 -11.638 5.248 1.00 0.00 C ATOM 288 NH1 ARG A 22 4.222 -11.787 4.753 1.00 0.00 N ATOM 289 NH2 ARG A 22 6.458 -12.303 4.710 1.00 0.00 N ATOM 0 H ARG A 22 3.541 -8.459 8.166 1.00 0.00 H new ATOM 0 HA ARG A 22 5.138 -6.106 7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.771 -7.169 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.865 -7.930 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.984 -8.796 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.038 -9.337 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.985 -9.598 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.793 -10.734 7.237 1.00 0.00 H new ATOM 0 HE ARG A 22 6.602 -10.736 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.439 -11.278 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.065 -12.410 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.399 -12.192 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.297 -12.925 3.918 1.00 0.00 H new ATOM 303 N LEU A 23 3.440 -4.584 6.596 1.00 0.00 N ATOM 304 CA LEU A 23 2.441 -3.643 6.103 1.00 0.00 C ATOM 305 C LEU A 23 1.559 -4.292 5.041 1.00 0.00 C ATOM 306 O LEU A 23 0.333 -4.264 5.136 1.00 0.00 O ATOM 307 CB LEU A 23 3.122 -2.400 5.527 1.00 0.00 C ATOM 308 CG LEU A 23 2.349 -1.087 5.662 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.915 -1.261 5.187 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.379 -0.596 7.102 1.00 0.00 C ATOM 0 H LEU A 23 4.331 -4.158 6.852 1.00 0.00 H new ATOM 0 HA LEU A 23 1.811 -3.348 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.089 -2.281 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.319 -2.575 4.469 1.00 0.00 H new ATOM 0 HG LEU A 23 2.831 -0.338 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.380 -0.317 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.913 -1.567 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.422 -2.025 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.824 0.339 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.923 -1.343 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.412 -0.431 7.409 1.00 0.00 H new ATOM 322 N GLY A 24 2.193 -4.878 4.030 1.00 0.00 N ATOM 323 CA GLY A 24 1.450 -5.527 2.966 1.00 0.00 C ATOM 324 C GLY A 24 0.907 -4.540 1.952 1.00 0.00 C ATOM 325 O GLY A 24 -0.228 -4.674 1.493 1.00 0.00 O ATOM 0 H GLY A 24 3.207 -4.915 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.097 -6.244 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.624 -6.092 3.397 1.00 0.00 H new ATOM 329 N ILE A 25 1.717 -3.546 1.603 1.00 0.00 N ATOM 330 CA ILE A 25 1.310 -2.533 0.638 1.00 0.00 C ATOM 331 C ILE A 25 2.231 -2.530 -0.578 1.00 0.00 C ATOM 332 O ILE A 25 3.373 -2.983 -0.505 1.00 0.00 O ATOM 333 CB ILE A 25 1.303 -1.127 1.266 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.517 -0.948 2.181 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.013 -0.898 2.038 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.914 0.497 2.382 1.00 0.00 C ATOM 0 H ILE A 25 2.659 -3.421 1.974 1.00 0.00 H new ATOM 0 HA ILE A 25 0.298 -2.786 0.323 1.00 0.00 H new ATOM 0 HB ILE A 25 1.361 -0.388 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.300 -1.395 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.362 -1.493 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.023 0.100 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.837 -0.989 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.073 -1.641 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.781 0.548 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.163 0.943 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.084 1.043 2.831 1.00 0.00 H new ATOM 348 N SER A 26 1.726 -2.016 -1.695 1.00 0.00 N ATOM 349 CA SER A 26 2.503 -1.955 -2.927 1.00 0.00 C ATOM 350 C SER A 26 2.591 -0.522 -3.444 1.00 0.00 C ATOM 351 O SER A 26 1.617 0.229 -3.392 1.00 0.00 O ATOM 352 CB SER A 26 1.877 -2.857 -3.994 1.00 0.00 C ATOM 353 OG SER A 26 2.424 -4.163 -3.942 1.00 0.00 O ATOM 0 H SER A 26 0.783 -1.636 -1.772 1.00 0.00 H new ATOM 0 HA SER A 26 3.512 -2.306 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.798 -2.905 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.045 -2.428 -4.982 1.00 0.00 H new ATOM 0 HG SER A 26 2.264 -4.619 -4.795 1.00 0.00 H new ATOM 359 N ILE A 27 3.765 -0.151 -3.943 1.00 0.00 N ATOM 360 CA ILE A 27 3.981 1.190 -4.470 1.00 0.00 C ATOM 361 C ILE A 27 4.677 1.142 -5.826 1.00 0.00 C ATOM 362 O ILE A 27 5.350 0.166 -6.156 1.00 0.00 O ATOM 363 CB ILE A 27 4.822 2.046 -3.504 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.265 1.539 -3.463 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.209 2.030 -2.112 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.233 2.523 -2.845 1.00 0.00 C ATOM 0 H ILE A 27 4.581 -0.761 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 27 2.998 1.646 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 27 4.829 3.075 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.298 0.606 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.590 1.310 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.814 2.639 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.197 2.434 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.175 1.006 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.237 2.098 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.229 3.448 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.932 2.733 -1.819 1.00 0.00 H new ATOM 378 N ARG A 28 4.512 2.205 -6.607 1.00 0.00 N ATOM 379 CA ARG A 28 5.125 2.284 -7.928 1.00 0.00 C ATOM 380 C ARG A 28 5.817 3.630 -8.126 1.00 0.00 C ATOM 381 O ARG A 28 5.294 4.672 -7.733 1.00 0.00 O ATOM 382 CB ARG A 28 4.070 2.076 -9.016 1.00 0.00 C ATOM 383 CG ARG A 28 3.143 3.266 -9.202 1.00 0.00 C ATOM 384 CD ARG A 28 2.210 3.067 -10.386 1.00 0.00 C ATOM 385 NE ARG A 28 2.935 3.030 -11.654 1.00 0.00 N ATOM 386 CZ ARG A 28 3.462 1.924 -12.167 1.00 0.00 C ATOM 387 NH1 ARG A 28 3.345 0.770 -11.525 1.00 0.00 N ATOM 388 NH2 ARG A 28 4.107 1.971 -13.326 1.00 0.00 N ATOM 0 H ARG A 28 3.960 3.023 -6.348 1.00 0.00 H new ATOM 0 HA ARG A 28 5.874 1.495 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.571 1.866 -9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.474 1.197 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.556 3.416 -8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.735 4.169 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.655 2.137 -10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.478 3.874 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 28 3.042 3.901 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.849 0.730 -10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.751 -0.078 -11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.198 2.857 -13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.511 1.121 -13.719 1.00 0.00 H new ATOM 402 N GLY A 29 6.997 3.599 -8.738 1.00 0.00 N ATOM 403 CA GLY A 29 7.741 4.821 -8.976 1.00 0.00 C ATOM 404 C GLY A 29 9.240 4.613 -8.893 1.00 0.00 C ATOM 405 O GLY A 29 9.751 3.564 -9.283 1.00 0.00 O ATOM 0 H GLY A 29 7.451 2.749 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.486 5.212 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.441 5.573 -8.247 1.00 0.00 H new ATOM 409 N GLY A 30 9.948 5.616 -8.383 1.00 0.00 N ATOM 410 CA GLY A 30 11.391 5.519 -8.260 1.00 0.00 C ATOM 411 C GLY A 30 12.115 6.549 -9.104 1.00 0.00 C ATOM 412 O GLY A 30 11.533 7.134 -10.016 1.00 0.00 O ATOM 0 H GLY A 30 9.548 6.494 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.673 5.647 -7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.712 4.520 -8.557 1.00 0.00 H new ATOM 611 N GLY A 45 8.173 10.424 -9.237 1.00 0.00 N ATOM 612 CA GLY A 45 7.214 10.332 -8.151 1.00 0.00 C ATOM 613 C GLY A 45 6.876 8.898 -7.796 1.00 0.00 C ATOM 614 O GLY A 45 6.917 8.014 -8.652 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.616 10.836 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.302 10.859 -8.431 1.00 0.00 H new ATOM 618 N ILE A 46 6.541 8.667 -6.531 1.00 0.00 N ATOM 619 CA ILE A 46 6.195 7.330 -6.065 1.00 0.00 C ATOM 620 C ILE A 46 4.826 7.319 -5.393 1.00 0.00 C ATOM 621 O ILE A 46 4.618 7.978 -4.374 1.00 0.00 O ATOM 622 CB ILE A 46 7.245 6.789 -5.076 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.621 6.726 -5.742 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.834 5.416 -4.567 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.770 6.750 -4.759 1.00 0.00 C ATOM 0 H ILE A 46 6.502 9.388 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 46 6.170 6.686 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 46 7.305 7.468 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.685 5.817 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.723 7.567 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.586 5.047 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.872 5.489 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.749 4.727 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.714 6.702 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.732 7.671 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.693 5.894 -4.089 1.00 0.00 H new ATOM 637 N PHE A 47 3.896 6.566 -5.970 1.00 0.00 N ATOM 638 CA PHE A 47 2.546 6.468 -5.426 1.00 0.00 C ATOM 639 C PHE A 47 2.129 5.009 -5.267 1.00 0.00 C ATOM 640 O PHE A 47 2.658 4.124 -5.939 1.00 0.00 O ATOM 641 CB PHE A 47 1.554 7.198 -6.334 1.00 0.00 C ATOM 642 CG PHE A 47 1.954 8.612 -6.645 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.131 8.879 -7.324 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.153 9.674 -6.256 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.502 10.180 -7.612 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.518 10.976 -6.542 1.00 0.00 C ATOM 647 CZ PHE A 47 2.695 11.229 -7.219 1.00 0.00 C ATOM 0 H PHE A 47 4.052 6.015 -6.814 1.00 0.00 H new ATOM 0 HA PHE A 47 2.542 6.938 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.453 6.644 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.574 7.203 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.767 8.062 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.233 9.482 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.422 10.375 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.883 11.795 -6.236 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.984 12.246 -7.441 1.00 0.00 H new ATOM 657 N ILE A 48 1.177 4.767 -4.372 1.00 0.00 N ATOM 658 CA ILE A 48 0.688 3.417 -4.124 1.00 0.00 C ATOM 659 C ILE A 48 0.005 2.843 -5.361 1.00 0.00 C ATOM 660 O ILE A 48 -0.854 3.488 -5.963 1.00 0.00 O ATOM 661 CB ILE A 48 -0.301 3.384 -2.944 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.387 3.852 -1.660 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.869 1.983 -2.767 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.580 4.262 -0.571 1.00 0.00 C ATOM 0 H ILE A 48 0.729 5.488 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 48 1.557 2.808 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.125 4.064 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.024 3.051 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.038 4.695 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.566 1.976 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.391 1.685 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.057 1.283 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.022 4.582 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.201 5.085 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.215 3.415 -0.310 1.00 0.00 H new ATOM 676 N SER A 49 0.391 1.627 -5.734 1.00 0.00 N ATOM 677 CA SER A 49 -0.182 0.967 -6.901 1.00 0.00 C ATOM 678 C SER A 49 -1.059 -0.210 -6.483 1.00 0.00 C ATOM 679 O SER A 49 -1.839 -0.731 -7.279 1.00 0.00 O ATOM 680 CB SER A 49 0.927 0.484 -7.836 1.00 0.00 C ATOM 681 OG SER A 49 0.389 -0.198 -8.956 1.00 0.00 O ATOM 0 H SER A 49 1.098 1.079 -5.245 1.00 0.00 H new ATOM 0 HA SER A 49 -0.803 1.691 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.518 1.335 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.602 -0.178 -7.293 1.00 0.00 H new ATOM 0 HG SER A 49 -0.443 -0.646 -8.697 1.00 0.00 H new ATOM 687 N LYS A 50 -0.924 -0.623 -5.227 1.00 0.00 N ATOM 688 CA LYS A 50 -1.703 -1.737 -4.700 1.00 0.00 C ATOM 689 C LYS A 50 -1.600 -1.802 -3.180 1.00 0.00 C ATOM 690 O LYS A 50 -0.687 -1.231 -2.585 1.00 0.00 O ATOM 691 CB LYS A 50 -1.223 -3.056 -5.311 1.00 0.00 C ATOM 692 CG LYS A 50 -1.394 -4.251 -4.390 1.00 0.00 C ATOM 693 CD LYS A 50 -0.848 -5.522 -5.018 1.00 0.00 C ATOM 694 CE LYS A 50 -1.603 -6.751 -4.535 1.00 0.00 C ATOM 695 NZ LYS A 50 -1.191 -7.151 -3.161 1.00 0.00 N ATOM 0 H LYS A 50 -0.282 -0.203 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.747 -1.577 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.771 -3.239 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.170 -2.961 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.881 -4.061 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.451 -4.384 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.920 -5.453 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.210 -5.624 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.674 -6.548 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.427 -7.579 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.728 -7.992 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.174 -7.370 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.382 -6.371 -2.500 1.00 0.00 H new ATOM 709 N VAL A 51 -2.542 -2.503 -2.557 1.00 0.00 N ATOM 710 CA VAL A 51 -2.556 -2.645 -1.106 1.00 0.00 C ATOM 711 C VAL A 51 -3.240 -3.941 -0.687 1.00 0.00 C ATOM 712 O VAL A 51 -4.351 -4.239 -1.125 1.00 0.00 O ATOM 713 CB VAL A 51 -3.272 -1.459 -0.433 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.334 -1.658 1.074 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.575 -0.151 -0.778 1.00 0.00 C ATOM 0 H VAL A 51 -3.306 -2.982 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.516 -2.665 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.293 -1.411 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.843 -0.810 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.881 -2.574 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.322 -1.733 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.094 0.676 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.543 -0.186 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.588 -0.006 -1.858 1.00 0.00 H new ATOM 725 N SER A 52 -2.568 -4.710 0.165 1.00 0.00 N ATOM 726 CA SER A 52 -3.109 -5.977 0.642 1.00 0.00 C ATOM 727 C SER A 52 -4.250 -5.744 1.628 1.00 0.00 C ATOM 728 O SER A 52 -4.183 -4.877 2.499 1.00 0.00 O ATOM 729 CB SER A 52 -2.009 -6.809 1.303 1.00 0.00 C ATOM 730 OG SER A 52 -2.416 -8.157 1.463 1.00 0.00 O ATOM 0 H SER A 52 -1.648 -4.477 0.539 1.00 0.00 H new ATOM 0 HA SER A 52 -3.500 -6.523 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.104 -6.769 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.761 -6.383 2.275 1.00 0.00 H new ATOM 0 HG SER A 52 -1.695 -8.668 1.886 1.00 0.00 H new ATOM 736 N PRO A 53 -5.322 -6.537 1.489 1.00 0.00 N ATOM 737 CA PRO A 53 -6.498 -6.438 2.359 1.00 0.00 C ATOM 738 C PRO A 53 -6.210 -6.911 3.780 1.00 0.00 C ATOM 739 O PRO A 53 -6.873 -6.495 4.731 1.00 0.00 O ATOM 740 CB PRO A 53 -7.517 -7.360 1.685 1.00 0.00 C ATOM 741 CG PRO A 53 -6.695 -8.340 0.923 1.00 0.00 C ATOM 742 CD PRO A 53 -5.470 -7.593 0.473 1.00 0.00 C ATOM 0 HA PRO A 53 -6.840 -5.408 2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.147 -7.859 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.180 -6.801 1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.425 -9.192 1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.248 -8.733 0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.595 -8.241 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.598 -7.175 -0.525 1.00 0.00 H new ATOM 750 N THR A 54 -5.216 -7.783 3.918 1.00 0.00 N ATOM 751 CA THR A 54 -4.840 -8.313 5.223 1.00 0.00 C ATOM 752 C THR A 54 -3.593 -7.621 5.760 1.00 0.00 C ATOM 753 O THR A 54 -2.984 -8.078 6.726 1.00 0.00 O ATOM 754 CB THR A 54 -4.584 -9.831 5.160 1.00 0.00 C ATOM 755 OG1 THR A 54 -3.297 -10.087 4.586 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.659 -10.528 4.339 1.00 0.00 C ATOM 0 H THR A 54 -4.657 -8.137 3.142 1.00 0.00 H new ATOM 0 HA THR A 54 -5.676 -8.120 5.895 1.00 0.00 H new ATOM 0 HB THR A 54 -4.613 -10.225 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.141 -11.054 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.457 -11.599 4.309 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.634 -10.355 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.657 -10.130 3.324 1.00 0.00 H new ATOM 764 N GLY A 55 -3.218 -6.513 5.127 1.00 0.00 N ATOM 765 CA GLY A 55 -2.045 -5.774 5.556 1.00 0.00 C ATOM 766 C GLY A 55 -2.379 -4.685 6.556 1.00 0.00 C ATOM 767 O GLY A 55 -3.534 -4.277 6.676 1.00 0.00 O ATOM 0 H GLY A 55 -3.706 -6.114 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.328 -6.464 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.562 -5.329 4.686 1.00 0.00 H new ATOM 771 N ALA A 56 -1.366 -4.213 7.275 1.00 0.00 N ATOM 772 CA ALA A 56 -1.559 -3.164 8.269 1.00 0.00 C ATOM 773 C ALA A 56 -2.335 -1.989 7.684 1.00 0.00 C ATOM 774 O ALA A 56 -3.136 -1.358 8.373 1.00 0.00 O ATOM 775 CB ALA A 56 -0.215 -2.696 8.808 1.00 0.00 C ATOM 0 H ALA A 56 -0.404 -4.540 7.188 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.144 -3.578 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.373 -1.913 9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.303 -3.535 9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.389 -2.304 7.989 1.00 0.00 H new ATOM 781 N ALA A 57 -2.092 -1.701 6.410 1.00 0.00 N ATOM 782 CA ALA A 57 -2.770 -0.603 5.732 1.00 0.00 C ATOM 783 C ALA A 57 -4.196 -0.988 5.353 1.00 0.00 C ATOM 784 O ALA A 57 -5.154 -0.324 5.746 1.00 0.00 O ATOM 785 CB ALA A 57 -1.988 -0.183 4.496 1.00 0.00 C ATOM 0 H ALA A 57 -1.430 -2.213 5.826 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.821 0.240 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.506 0.638 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.990 0.142 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.907 -1.028 3.812 1.00 0.00 H new ATOM 791 N GLY A 58 -4.329 -2.066 4.585 1.00 0.00 N ATOM 792 CA GLY A 58 -5.641 -2.520 4.165 1.00 0.00 C ATOM 793 C GLY A 58 -6.662 -2.458 5.284 1.00 0.00 C ATOM 794 O GLY A 58 -7.794 -2.020 5.078 1.00 0.00 O ATOM 0 H GLY A 58 -3.551 -2.632 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.984 -1.908 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.568 -3.545 3.800 1.00 0.00 H new ATOM 798 N ARG A 59 -6.262 -2.899 6.473 1.00 0.00 N ATOM 799 CA ARG A 59 -7.151 -2.894 7.628 1.00 0.00 C ATOM 800 C ARG A 59 -7.209 -1.508 8.264 1.00 0.00 C ATOM 801 O ARG A 59 -8.198 -1.148 8.903 1.00 0.00 O ATOM 802 CB ARG A 59 -6.686 -3.922 8.661 1.00 0.00 C ATOM 803 CG ARG A 59 -5.439 -3.499 9.421 1.00 0.00 C ATOM 804 CD ARG A 59 -5.009 -4.562 10.420 1.00 0.00 C ATOM 805 NE ARG A 59 -3.603 -4.428 10.791 1.00 0.00 N ATOM 806 CZ ARG A 59 -2.875 -5.423 11.284 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.417 -6.619 11.466 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.601 -5.223 11.598 1.00 0.00 N ATOM 0 H ARG A 59 -5.328 -3.264 6.661 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.151 -3.160 7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.492 -4.100 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.491 -4.869 8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.629 -3.311 8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.631 -2.562 9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.628 -4.491 11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.179 -5.550 9.993 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.156 -3.520 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.396 -6.777 11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.855 -7.381 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.180 -4.304 11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.043 -5.988 11.977 1.00 0.00 H new ATOM 822 N ASP A 60 -6.144 -0.736 8.084 1.00 0.00 N ATOM 823 CA ASP A 60 -6.073 0.611 8.640 1.00 0.00 C ATOM 824 C ASP A 60 -7.342 1.396 8.324 1.00 0.00 C ATOM 825 O ASP A 60 -8.033 1.868 9.226 1.00 0.00 O ATOM 826 CB ASP A 60 -4.851 1.349 8.090 1.00 0.00 C ATOM 827 CG ASP A 60 -4.673 2.719 8.715 1.00 0.00 C ATOM 828 OD1 ASP A 60 -4.728 2.815 9.959 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.477 3.694 7.960 1.00 0.00 O ATOM 0 H ASP A 60 -5.317 -1.019 7.558 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.979 0.527 9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.957 0.751 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.950 1.456 7.010 1.00 0.00 H new ATOM 834 N GLY A 61 -7.642 1.534 7.036 1.00 0.00 N ATOM 835 CA GLY A 61 -8.827 2.264 6.624 1.00 0.00 C ATOM 836 C GLY A 61 -8.491 3.539 5.875 1.00 0.00 C ATOM 837 O GLY A 61 -9.293 4.028 5.079 1.00 0.00 O ATOM 0 H GLY A 61 -7.086 1.153 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.442 1.625 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.423 2.509 7.503 1.00 0.00 H new ATOM 841 N ARG A 62 -7.304 4.078 6.131 1.00 0.00 N ATOM 842 CA ARG A 62 -6.866 5.305 5.477 1.00 0.00 C ATOM 843 C ARG A 62 -6.027 4.993 4.241 1.00 0.00 C ATOM 844 O ARG A 62 -6.312 5.478 3.145 1.00 0.00 O ATOM 845 CB ARG A 62 -6.058 6.167 6.450 1.00 0.00 C ATOM 846 CG ARG A 62 -6.735 6.361 7.797 1.00 0.00 C ATOM 847 CD ARG A 62 -7.788 7.457 7.739 1.00 0.00 C ATOM 848 NE ARG A 62 -9.008 7.009 7.072 1.00 0.00 N ATOM 849 CZ ARG A 62 -10.054 7.796 6.848 1.00 0.00 C ATOM 850 NH1 ARG A 62 -10.029 9.064 7.234 1.00 0.00 N ATOM 851 NH2 ARG A 62 -11.129 7.315 6.235 1.00 0.00 N ATOM 0 H ARG A 62 -6.629 3.685 6.786 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.753 5.856 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.082 5.707 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.881 7.143 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.199 5.426 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.987 6.613 8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.027 7.784 8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.383 8.321 7.212 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.059 6.039 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.205 9.438 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.834 9.666 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.152 6.340 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.932 7.920 6.063 1.00 0.00 H new ATOM 865 N LEU A 63 -4.991 4.182 4.425 1.00 0.00 N ATOM 866 CA LEU A 63 -4.110 3.805 3.326 1.00 0.00 C ATOM 867 C LEU A 63 -4.893 3.119 2.211 1.00 0.00 C ATOM 868 O LEU A 63 -5.692 2.218 2.464 1.00 0.00 O ATOM 869 CB LEU A 63 -3.001 2.880 3.829 1.00 0.00 C ATOM 870 CG LEU A 63 -1.688 2.917 3.046 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.904 2.441 1.618 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.099 4.320 3.059 1.00 0.00 C ATOM 0 H LEU A 63 -4.741 3.773 5.325 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.662 4.714 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.788 3.133 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.377 1.857 3.820 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.980 2.243 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.959 2.474 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.280 1.418 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.628 3.089 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.165 4.328 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.803 5.015 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.906 4.624 4.088 1.00 0.00 H new ATOM 884 N ARG A 64 -4.656 3.551 0.976 1.00 0.00 N ATOM 885 CA ARG A 64 -5.338 2.978 -0.178 1.00 0.00 C ATOM 886 C ARG A 64 -4.643 3.380 -1.475 1.00 0.00 C ATOM 887 O ARG A 64 -4.082 4.471 -1.579 1.00 0.00 O ATOM 888 CB ARG A 64 -6.800 3.430 -0.209 1.00 0.00 C ATOM 889 CG ARG A 64 -6.973 4.912 -0.495 1.00 0.00 C ATOM 890 CD ARG A 64 -8.294 5.193 -1.194 1.00 0.00 C ATOM 891 NE ARG A 64 -9.386 5.387 -0.244 1.00 0.00 N ATOM 892 CZ ARG A 64 -10.659 5.516 -0.603 1.00 0.00 C ATOM 893 NH1 ARG A 64 -10.997 5.472 -1.884 1.00 0.00 N ATOM 894 NH2 ARG A 64 -11.596 5.688 0.320 1.00 0.00 N ATOM 0 H ARG A 64 -3.997 4.296 0.749 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.302 1.892 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.332 2.857 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.264 3.197 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.928 5.472 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.149 5.262 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.193 6.082 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.535 4.364 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.159 5.426 0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.279 5.339 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.975 5.571 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.340 5.721 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.573 5.787 0.043 1.00 0.00 H new ATOM 908 N VAL A 65 -4.683 2.491 -2.462 1.00 0.00 N ATOM 909 CA VAL A 65 -4.058 2.753 -3.753 1.00 0.00 C ATOM 910 C VAL A 65 -4.473 4.115 -4.299 1.00 0.00 C ATOM 911 O VAL A 65 -5.606 4.299 -4.742 1.00 0.00 O ATOM 912 CB VAL A 65 -4.422 1.667 -4.783 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.731 1.938 -6.111 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.057 0.288 -4.254 1.00 0.00 C ATOM 0 H VAL A 65 -5.142 1.583 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.980 2.743 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.499 1.694 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.000 1.161 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.047 2.908 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.651 1.939 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.321 -0.467 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.986 0.245 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.603 0.097 -3.330 1.00 0.00 H new ATOM 924 N GLY A 66 -3.547 5.068 -4.263 1.00 0.00 N ATOM 925 CA GLY A 66 -3.835 6.401 -4.758 1.00 0.00 C ATOM 926 C GLY A 66 -3.153 7.482 -3.942 1.00 0.00 C ATOM 927 O GLY A 66 -2.877 8.571 -4.448 1.00 0.00 O ATOM 0 H GLY A 66 -2.602 4.941 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.514 6.477 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.912 6.565 -4.745 1.00 0.00 H new ATOM 931 N LEU A 67 -2.881 7.183 -2.677 1.00 0.00 N ATOM 932 CA LEU A 67 -2.228 8.138 -1.789 1.00 0.00 C ATOM 933 C LEU A 67 -0.740 8.249 -2.107 1.00 0.00 C ATOM 934 O LEU A 67 0.001 7.271 -2.003 1.00 0.00 O ATOM 935 CB LEU A 67 -2.420 7.721 -0.329 1.00 0.00 C ATOM 936 CG LEU A 67 -3.831 7.885 0.236 1.00 0.00 C ATOM 937 CD1 LEU A 67 -4.050 6.940 1.407 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.072 9.327 0.659 1.00 0.00 C ATOM 0 H LEU A 67 -3.102 6.287 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.687 9.114 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.130 6.675 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.734 8.302 0.287 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.547 7.633 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.060 7.071 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.920 5.911 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.327 7.160 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.081 9.425 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.349 9.607 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.958 9.983 -0.204 1.00 0.00 H new ATOM 950 N ARG A 68 -0.310 9.446 -2.492 1.00 0.00 N ATOM 951 CA ARG A 68 1.089 9.684 -2.824 1.00 0.00 C ATOM 952 C ARG A 68 1.963 9.618 -1.575 1.00 0.00 C ATOM 953 O ARG A 68 1.651 10.230 -0.553 1.00 0.00 O ATOM 954 CB ARG A 68 1.250 11.046 -3.501 1.00 0.00 C ATOM 955 CG ARG A 68 2.678 11.352 -3.923 1.00 0.00 C ATOM 956 CD ARG A 68 2.819 12.784 -4.415 1.00 0.00 C ATOM 957 NE ARG A 68 4.094 13.007 -5.092 1.00 0.00 N ATOM 958 CZ ARG A 68 4.658 14.203 -5.220 1.00 0.00 C ATOM 959 NH1 ARG A 68 4.064 15.277 -4.720 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.820 14.325 -5.850 1.00 0.00 N ATOM 0 H ARG A 68 -0.910 10.266 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 68 1.411 8.903 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.605 11.084 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.907 11.824 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.350 11.188 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.981 10.664 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.001 13.015 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.732 13.468 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 68 4.577 12.201 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.171 15.187 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.500 16.194 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.280 13.500 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.253 15.243 -5.948 1.00 0.00 H new ATOM 974 N LEU A 69 3.058 8.871 -1.664 1.00 0.00 N ATOM 975 CA LEU A 69 3.978 8.724 -0.541 1.00 0.00 C ATOM 976 C LEU A 69 4.907 9.929 -0.437 1.00 0.00 C ATOM 977 O LEU A 69 5.766 10.140 -1.295 1.00 0.00 O ATOM 978 CB LEU A 69 4.800 7.443 -0.694 1.00 0.00 C ATOM 979 CG LEU A 69 4.288 6.222 0.071 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.633 6.334 1.548 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.786 6.066 -0.118 1.00 0.00 C ATOM 0 H LEU A 69 3.331 8.358 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 69 3.389 8.663 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.847 7.190 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.820 7.649 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 69 4.778 5.334 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.261 5.456 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.715 6.396 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.171 7.230 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.439 5.192 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.278 6.956 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.564 5.938 -1.177 1.00 0.00 H new ATOM 993 N LEU A 70 4.731 10.716 0.618 1.00 0.00 N ATOM 994 CA LEU A 70 5.556 11.899 0.836 1.00 0.00 C ATOM 995 C LEU A 70 6.809 11.551 1.634 1.00 0.00 C ATOM 996 O LEU A 70 7.921 11.908 1.246 1.00 0.00 O ATOM 997 CB LEU A 70 4.754 12.976 1.570 1.00 0.00 C ATOM 998 CG LEU A 70 3.848 13.848 0.700 1.00 0.00 C ATOM 999 CD1 LEU A 70 4.645 14.489 -0.425 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.696 13.027 0.139 1.00 0.00 C ATOM 0 H LEU A 70 4.024 10.557 1.336 1.00 0.00 H new ATOM 0 HA LEU A 70 5.862 12.282 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.139 12.490 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.453 13.626 2.097 1.00 0.00 H new ATOM 0 HG LEU A 70 3.433 14.641 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.984 15.106 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.435 15.111 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.089 13.711 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.062 13.664 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.091 12.212 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.109 12.616 0.960 1.00 0.00 H new ATOM 1012 N GLU A 71 6.620 10.850 2.747 1.00 0.00 N ATOM 1013 CA GLU A 71 7.735 10.452 3.597 1.00 0.00 C ATOM 1014 C GLU A 71 7.356 9.259 4.470 1.00 0.00 C ATOM 1015 O GLU A 71 6.239 9.179 4.981 1.00 0.00 O ATOM 1016 CB GLU A 71 8.177 11.623 4.479 1.00 0.00 C ATOM 1017 CG GLU A 71 8.130 12.967 3.772 1.00 0.00 C ATOM 1018 CD GLU A 71 8.479 14.122 4.692 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.346 13.937 5.571 1.00 0.00 O ATOM 1020 OE2 GLU A 71 7.884 15.208 4.533 1.00 0.00 O ATOM 0 H GLU A 71 5.705 10.546 3.081 1.00 0.00 H new ATOM 0 HA GLU A 71 8.563 10.159 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.539 11.663 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.193 11.441 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.823 12.955 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.132 13.123 3.361 1.00 0.00 H new ATOM 1027 N VAL A 72 8.295 8.333 4.636 1.00 0.00 N ATOM 1028 CA VAL A 72 8.061 7.144 5.447 1.00 0.00 C ATOM 1029 C VAL A 72 8.906 7.168 6.715 1.00 0.00 C ATOM 1030 O VAL A 72 10.126 7.021 6.663 1.00 0.00 O ATOM 1031 CB VAL A 72 8.373 5.857 4.660 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.189 4.633 5.543 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.497 5.766 3.419 1.00 0.00 C ATOM 0 H VAL A 72 9.225 8.383 4.220 1.00 0.00 H new ATOM 0 HA VAL A 72 7.005 7.149 5.717 1.00 0.00 H new ATOM 0 HB VAL A 72 9.414 5.891 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.414 3.734 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.862 4.696 6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.158 4.590 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.731 4.851 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.448 5.755 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.684 6.627 2.778 1.00 0.00 H new ATOM 1043 N ASN A 73 8.248 7.354 7.855 1.00 0.00 N ATOM 1044 CA ASN A 73 8.939 7.398 9.138 1.00 0.00 C ATOM 1045 C ASN A 73 9.869 8.605 9.214 1.00 0.00 C ATOM 1046 O ASN A 73 10.994 8.504 9.703 1.00 0.00 O ATOM 1047 CB ASN A 73 9.738 6.111 9.355 1.00 0.00 C ATOM 1048 CG ASN A 73 8.954 5.068 10.129 1.00 0.00 C ATOM 1049 OD1 ASN A 73 7.988 5.389 10.822 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.367 3.812 10.014 1.00 0.00 N ATOM 0 H ASN A 73 7.237 7.477 7.916 1.00 0.00 H new ATOM 0 HA ASN A 73 8.189 7.489 9.923 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.029 5.700 8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.657 6.343 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.879 3.067 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.173 3.592 9.428 1.00 0.00 H new ATOM 1057 N GLN A 74 9.391 9.746 8.728 1.00 0.00 N ATOM 1058 CA GLN A 74 10.179 10.972 8.741 1.00 0.00 C ATOM 1059 C GLN A 74 11.417 10.833 7.860 1.00 0.00 C ATOM 1060 O GLN A 74 12.465 11.408 8.152 1.00 0.00 O ATOM 1061 CB GLN A 74 10.594 11.322 10.172 1.00 0.00 C ATOM 1062 CG GLN A 74 9.432 11.748 11.055 1.00 0.00 C ATOM 1063 CD GLN A 74 9.692 11.489 12.526 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.316 12.301 13.210 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.215 10.353 13.021 1.00 0.00 N ATOM 0 H GLN A 74 8.461 9.847 8.320 1.00 0.00 H new ATOM 0 HA GLN A 74 9.560 11.776 8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.083 10.458 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.330 12.125 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.237 12.810 10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.533 11.213 10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.703 9.709 12.418 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.360 10.125 14.004 1.00 0.00 H new ATOM 1074 N GLN A 75 11.286 10.066 6.783 1.00 0.00 N ATOM 1075 CA GLN A 75 12.395 9.851 5.860 1.00 0.00 C ATOM 1076 C GLN A 75 11.973 10.145 4.424 1.00 0.00 C ATOM 1077 O GLN A 75 11.494 9.261 3.714 1.00 0.00 O ATOM 1078 CB GLN A 75 12.906 8.414 5.970 1.00 0.00 C ATOM 1079 CG GLN A 75 13.308 8.017 7.381 1.00 0.00 C ATOM 1080 CD GLN A 75 14.396 6.962 7.403 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.348 7.019 6.625 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.261 5.990 8.298 1.00 0.00 N ATOM 0 H GLN A 75 10.424 9.583 6.528 1.00 0.00 H new ATOM 0 HA GLN A 75 13.198 10.536 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.131 7.734 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.764 8.291 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.653 8.900 7.918 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.433 7.642 7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.456 5.981 8.924 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.963 5.252 8.359 1.00 0.00 H new ATOM 1091 N SER A 76 12.154 11.393 4.003 1.00 0.00 N ATOM 1092 CA SER A 76 11.788 11.805 2.653 1.00 0.00 C ATOM 1093 C SER A 76 12.307 10.808 1.622 1.00 0.00 C ATOM 1094 O SER A 76 13.482 10.439 1.634 1.00 0.00 O ATOM 1095 CB SER A 76 12.341 13.199 2.355 1.00 0.00 C ATOM 1096 OG SER A 76 11.670 13.790 1.256 1.00 0.00 O ATOM 0 H SER A 76 12.552 12.136 4.577 1.00 0.00 H new ATOM 0 HA SER A 76 10.700 11.833 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.232 13.833 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.408 13.132 2.141 1.00 0.00 H new ATOM 0 HG SER A 76 12.041 14.681 1.087 1.00 0.00 H new ATOM 1102 N LEU A 77 11.423 10.375 0.729 1.00 0.00 N ATOM 1103 CA LEU A 77 11.791 9.421 -0.311 1.00 0.00 C ATOM 1104 C LEU A 77 12.428 10.130 -1.501 1.00 0.00 C ATOM 1105 O LEU A 77 12.672 9.521 -2.544 1.00 0.00 O ATOM 1106 CB LEU A 77 10.560 8.637 -0.770 1.00 0.00 C ATOM 1107 CG LEU A 77 9.568 8.244 0.326 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.223 7.872 -0.280 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.118 7.094 1.156 1.00 0.00 C ATOM 0 H LEU A 77 10.447 10.670 0.705 1.00 0.00 H new ATOM 0 HA LEU A 77 12.521 8.728 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.031 9.232 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.898 7.729 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 77 9.423 9.102 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.530 7.595 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.823 8.724 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.351 7.030 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.399 6.828 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.293 6.232 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.056 7.397 1.621 1.00 0.00 H new ATOM 1121 N LEU A 78 12.699 11.421 -1.338 1.00 0.00 N ATOM 1122 CA LEU A 78 13.311 12.214 -2.399 1.00 0.00 C ATOM 1123 C LEU A 78 14.805 11.925 -2.501 1.00 0.00 C ATOM 1124 O LEU A 78 15.567 12.209 -1.579 1.00 0.00 O ATOM 1125 CB LEU A 78 13.084 13.705 -2.142 1.00 0.00 C ATOM 1126 CG LEU A 78 13.024 14.598 -3.382 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.373 14.626 -4.085 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.936 14.119 -4.332 1.00 0.00 C ATOM 0 H LEU A 78 12.505 11.940 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 78 12.841 11.939 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.151 13.820 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.883 14.068 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 78 12.781 15.612 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.311 15.266 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.130 15.016 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.645 13.616 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.908 14.766 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.149 13.096 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.971 14.151 -3.826 1.00 0.00 H new ATOM 1140 N GLY A 79 15.217 11.360 -3.632 1.00 0.00 N ATOM 1141 CA GLY A 79 16.619 11.044 -3.836 1.00 0.00 C ATOM 1142 C GLY A 79 16.863 9.554 -3.974 1.00 0.00 C ATOM 1143 O GLY A 79 17.767 9.130 -4.695 1.00 0.00 O ATOM 0 H GLY A 79 14.605 11.116 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.976 11.552 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.201 11.428 -2.998 1.00 0.00 H new ATOM 1147 N LEU A 80 16.058 8.758 -3.280 1.00 0.00 N ATOM 1148 CA LEU A 80 16.192 7.306 -3.327 1.00 0.00 C ATOM 1149 C LEU A 80 15.377 6.721 -4.477 1.00 0.00 C ATOM 1150 O LEU A 80 14.541 7.402 -5.070 1.00 0.00 O ATOM 1151 CB LEU A 80 15.741 6.689 -2.002 1.00 0.00 C ATOM 1152 CG LEU A 80 14.566 7.378 -1.307 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.801 6.386 -0.443 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.054 8.551 -0.471 1.00 0.00 C ATOM 0 H LEU A 80 15.306 9.093 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 80 17.243 7.068 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.471 5.648 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.590 6.685 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 80 13.890 7.760 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.968 6.894 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.418 5.579 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.467 5.974 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.204 9.029 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.752 8.193 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.556 9.273 -1.115 1.00 0.00 H new ATOM 1166 N THR A 81 15.626 5.452 -4.785 1.00 0.00 N ATOM 1167 CA THR A 81 14.916 4.774 -5.863 1.00 0.00 C ATOM 1168 C THR A 81 13.891 3.789 -5.311 1.00 0.00 C ATOM 1169 O THR A 81 13.947 3.410 -4.141 1.00 0.00 O ATOM 1170 CB THR A 81 15.888 4.020 -6.789 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.695 3.119 -6.023 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.781 4.993 -7.544 1.00 0.00 C ATOM 0 H THR A 81 16.314 4.873 -4.303 1.00 0.00 H new ATOM 0 HA THR A 81 14.403 5.545 -6.438 1.00 0.00 H new ATOM 0 HB THR A 81 15.301 3.455 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.309 2.642 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.459 4.437 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.165 5.658 -8.149 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.360 5.582 -6.833 1.00 0.00 H new ATOM 1180 N HIS A 82 12.955 3.379 -6.161 1.00 0.00 N ATOM 1181 CA HIS A 82 11.917 2.436 -5.758 1.00 0.00 C ATOM 1182 C HIS A 82 12.462 1.423 -4.756 1.00 0.00 C ATOM 1183 O HIS A 82 11.931 1.276 -3.656 1.00 0.00 O ATOM 1184 CB HIS A 82 11.356 1.710 -6.981 1.00 0.00 C ATOM 1185 CG HIS A 82 9.913 1.333 -6.844 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.432 0.074 -7.138 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.843 2.058 -6.440 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.129 0.042 -6.923 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.747 1.232 -6.498 1.00 0.00 N ATOM 0 H HIS A 82 12.894 3.684 -7.132 1.00 0.00 H new ATOM 0 HA HIS A 82 11.116 2.999 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.475 2.347 -7.858 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.943 0.809 -7.159 1.00 0.00 H new ATOM 0 HD1 HIS A 82 9.994 -0.710 -7.470 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.850 3.093 -6.130 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.485 -0.813 -7.070 1.00 0.00 H new ATOM 1198 N GLY A 83 13.526 0.727 -5.144 1.00 0.00 N ATOM 1199 CA GLY A 83 14.124 -0.264 -4.269 1.00 0.00 C ATOM 1200 C GLY A 83 14.424 0.288 -2.889 1.00 0.00 C ATOM 1201 O GLY A 83 14.207 -0.387 -1.884 1.00 0.00 O ATOM 0 H GLY A 83 13.985 0.832 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.451 -1.117 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.046 -0.632 -4.718 1.00 0.00 H new ATOM 1205 N GLU A 84 14.927 1.518 -2.842 1.00 0.00 N ATOM 1206 CA GLU A 84 15.260 2.158 -1.574 1.00 0.00 C ATOM 1207 C GLU A 84 13.996 2.573 -0.826 1.00 0.00 C ATOM 1208 O GLU A 84 13.847 2.296 0.364 1.00 0.00 O ATOM 1209 CB GLU A 84 16.150 3.380 -1.813 1.00 0.00 C ATOM 1210 CG GLU A 84 17.635 3.062 -1.801 1.00 0.00 C ATOM 1211 CD GLU A 84 18.181 2.871 -0.399 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.154 1.725 0.096 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.633 3.867 0.203 1.00 0.00 O ATOM 0 H GLU A 84 15.113 2.090 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 84 15.802 1.437 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.890 3.826 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.941 4.127 -1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.813 2.157 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.179 3.869 -2.292 1.00 0.00 H new ATOM 1220 N ALA A 85 13.090 3.240 -1.533 1.00 0.00 N ATOM 1221 CA ALA A 85 11.839 3.692 -0.938 1.00 0.00 C ATOM 1222 C ALA A 85 11.091 2.535 -0.284 1.00 0.00 C ATOM 1223 O ALA A 85 10.697 2.616 0.880 1.00 0.00 O ATOM 1224 CB ALA A 85 10.965 4.360 -1.989 1.00 0.00 C ATOM 0 H ALA A 85 13.199 3.479 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 85 12.078 4.420 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.034 4.693 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.490 5.219 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.744 3.648 -2.784 1.00 0.00 H new ATOM 1230 N VAL A 86 10.900 1.458 -1.039 1.00 0.00 N ATOM 1231 CA VAL A 86 10.200 0.284 -0.533 1.00 0.00 C ATOM 1232 C VAL A 86 10.816 -0.202 0.775 1.00 0.00 C ATOM 1233 O VAL A 86 10.158 -0.212 1.815 1.00 0.00 O ATOM 1234 CB VAL A 86 10.222 -0.867 -1.556 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.484 -2.081 -1.012 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.620 -0.416 -2.878 1.00 0.00 C ATOM 0 H VAL A 86 11.221 1.374 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 86 9.167 0.584 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 86 11.259 -1.152 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.511 -2.883 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.964 -2.417 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.448 -1.814 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.644 -1.242 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.588 -0.103 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.196 0.420 -3.274 1.00 0.00 H new ATOM 1246 N GLN A 87 12.082 -0.602 0.714 1.00 0.00 N ATOM 1247 CA GLN A 87 12.786 -1.088 1.894 1.00 0.00 C ATOM 1248 C GLN A 87 12.619 -0.124 3.064 1.00 0.00 C ATOM 1249 O GLN A 87 12.748 -0.512 4.226 1.00 0.00 O ATOM 1250 CB GLN A 87 14.272 -1.281 1.584 1.00 0.00 C ATOM 1251 CG GLN A 87 14.544 -2.378 0.567 1.00 0.00 C ATOM 1252 CD GLN A 87 13.767 -3.647 0.856 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.253 -4.543 1.545 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.551 -3.730 0.329 1.00 0.00 N ATOM 0 H GLN A 87 12.641 -0.599 -0.139 1.00 0.00 H new ATOM 0 HA GLN A 87 12.353 -2.048 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.682 -0.342 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.800 -1.515 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.286 -2.017 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.610 -2.604 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.187 -2.963 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.981 -4.561 0.490 1.00 0.00 H new ATOM 1263 N LEU A 88 12.333 1.135 2.750 1.00 0.00 N ATOM 1264 CA LEU A 88 12.149 2.156 3.775 1.00 0.00 C ATOM 1265 C LEU A 88 10.800 1.994 4.469 1.00 0.00 C ATOM 1266 O LEU A 88 10.665 2.270 5.662 1.00 0.00 O ATOM 1267 CB LEU A 88 12.253 3.551 3.158 1.00 0.00 C ATOM 1268 CG LEU A 88 12.805 4.649 4.068 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.901 5.968 3.317 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.935 4.801 5.308 1.00 0.00 C ATOM 0 H LEU A 88 12.224 1.473 1.794 1.00 0.00 H new ATOM 0 HA LEU A 88 12.937 2.035 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.886 3.488 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.261 3.852 2.820 1.00 0.00 H new ATOM 0 HG LEU A 88 13.808 4.362 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.296 6.737 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.566 5.852 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.910 6.262 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.343 5.587 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.920 5.065 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.918 3.860 5.858 1.00 0.00 H new ATOM 1282 N LEU A 89 9.803 1.543 3.715 1.00 0.00 N ATOM 1283 CA LEU A 89 8.464 1.342 4.257 1.00 0.00 C ATOM 1284 C LEU A 89 8.398 0.060 5.082 1.00 0.00 C ATOM 1285 O LEU A 89 7.658 -0.020 6.063 1.00 0.00 O ATOM 1286 CB LEU A 89 7.437 1.287 3.125 1.00 0.00 C ATOM 1287 CG LEU A 89 7.164 -0.097 2.533 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.182 -0.866 3.404 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.636 0.026 1.111 1.00 0.00 C ATOM 0 H LEU A 89 9.897 1.310 2.727 1.00 0.00 H new ATOM 0 HA LEU A 89 8.232 2.184 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.496 1.694 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.775 1.943 2.323 1.00 0.00 H new ATOM 0 HG LEU A 89 8.103 -0.650 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.000 -1.848 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.599 -0.985 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.243 -0.316 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.447 -0.968 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.708 0.598 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.374 0.536 0.492 1.00 0.00 H new ATOM 1301 N ARG A 90 9.177 -0.938 4.679 1.00 0.00 N ATOM 1302 CA ARG A 90 9.207 -2.215 5.382 1.00 0.00 C ATOM 1303 C ARG A 90 10.256 -2.201 6.490 1.00 0.00 C ATOM 1304 O ARG A 90 10.394 -3.167 7.239 1.00 0.00 O ATOM 1305 CB ARG A 90 9.499 -3.353 4.402 1.00 0.00 C ATOM 1306 CG ARG A 90 10.754 -3.136 3.572 1.00 0.00 C ATOM 1307 CD ARG A 90 11.360 -4.456 3.123 1.00 0.00 C ATOM 1308 NE ARG A 90 11.657 -5.334 4.251 1.00 0.00 N ATOM 1309 CZ ARG A 90 11.887 -6.637 4.128 1.00 0.00 C ATOM 1310 NH1 ARG A 90 11.854 -7.209 2.932 1.00 0.00 N ATOM 1311 NH2 ARG A 90 12.150 -7.370 5.202 1.00 0.00 N ATOM 0 H ARG A 90 9.796 -0.887 3.870 1.00 0.00 H new ATOM 0 HA ARG A 90 8.228 -2.376 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.599 -4.284 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.647 -3.472 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.514 -2.529 2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.486 -2.578 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.671 -4.959 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.275 -4.263 2.563 1.00 0.00 H new ATOM 0 HE ARG A 90 11.690 -4.925 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.652 -6.649 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.031 -8.209 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.176 -6.934 6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.326 -8.370 5.106 1.00 0.00 H new ATOM 1325 N SER A 91 10.993 -1.099 6.586 1.00 0.00 N ATOM 1326 CA SER A 91 12.033 -0.961 7.599 1.00 0.00 C ATOM 1327 C SER A 91 11.475 -0.319 8.866 1.00 0.00 C ATOM 1328 O SER A 91 12.171 0.423 9.559 1.00 0.00 O ATOM 1329 CB SER A 91 13.193 -0.124 7.058 1.00 0.00 C ATOM 1330 OG SER A 91 14.153 -0.941 6.411 1.00 0.00 O ATOM 0 H SER A 91 10.889 -0.289 5.975 1.00 0.00 H new ATOM 0 HA SER A 91 12.398 -1.957 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.813 0.620 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.666 0.420 7.876 1.00 0.00 H new ATOM 0 HG SER A 91 13.927 -1.021 5.461 1.00 0.00 H new ATOM 1336 N VAL A 92 10.212 -0.611 9.163 1.00 0.00 N ATOM 1337 CA VAL A 92 9.559 -0.064 10.346 1.00 0.00 C ATOM 1338 C VAL A 92 9.252 -1.160 11.360 1.00 0.00 C ATOM 1339 O VAL A 92 8.937 -2.291 10.991 1.00 0.00 O ATOM 1340 CB VAL A 92 8.251 0.663 9.980 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.410 -0.190 9.044 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.471 1.020 11.236 1.00 0.00 C ATOM 0 H VAL A 92 9.621 -1.223 8.600 1.00 0.00 H new ATOM 0 HA VAL A 92 10.252 0.652 10.788 1.00 0.00 H new ATOM 0 HB VAL A 92 8.502 1.588 9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.490 0.340 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.971 -0.389 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.165 -1.133 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.550 1.533 10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.229 0.110 11.785 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.075 1.673 11.866 1.00 0.00 H new ATOM 1352 N GLY A 93 9.345 -0.817 12.641 1.00 0.00 N ATOM 1353 CA GLY A 93 9.073 -1.783 13.689 1.00 0.00 C ATOM 1354 C GLY A 93 7.652 -2.308 13.640 1.00 0.00 C ATOM 1355 O GLY A 93 7.345 -3.215 12.866 1.00 0.00 O ATOM 0 H GLY A 93 9.604 0.113 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.768 -2.617 13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.253 -1.321 14.660 1.00 0.00 H new ATOM 1359 N ASP A 94 6.783 -1.739 14.468 1.00 0.00 N ATOM 1360 CA ASP A 94 5.387 -2.155 14.516 1.00 0.00 C ATOM 1361 C ASP A 94 4.465 -1.019 14.084 1.00 0.00 C ATOM 1362 O ASP A 94 3.257 -1.206 13.936 1.00 0.00 O ATOM 1363 CB ASP A 94 5.019 -2.619 15.926 1.00 0.00 C ATOM 1364 CG ASP A 94 6.113 -3.451 16.566 1.00 0.00 C ATOM 1365 OD1 ASP A 94 6.796 -4.198 15.834 1.00 0.00 O ATOM 1366 OD2 ASP A 94 6.287 -3.354 17.798 1.00 0.00 O ATOM 0 H ASP A 94 7.021 -0.988 15.115 1.00 0.00 H new ATOM 0 HA ASP A 94 5.258 -2.986 13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.816 -1.749 16.550 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.100 -3.203 15.885 1.00 0.00 H new ATOM 1371 N THR A 95 5.043 0.162 13.885 1.00 0.00 N ATOM 1372 CA THR A 95 4.275 1.329 13.472 1.00 0.00 C ATOM 1373 C THR A 95 5.160 2.348 12.764 1.00 0.00 C ATOM 1374 O THR A 95 6.227 2.710 13.261 1.00 0.00 O ATOM 1375 CB THR A 95 3.593 2.007 14.676 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.915 1.027 15.471 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.603 3.064 14.213 1.00 0.00 C ATOM 0 H THR A 95 6.041 0.335 14.004 1.00 0.00 H new ATOM 0 HA THR A 95 3.510 0.975 12.781 1.00 0.00 H new ATOM 0 HB THR A 95 4.363 2.492 15.276 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.486 1.466 16.235 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.134 3.528 15.081 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.127 3.824 13.633 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.837 2.598 13.593 1.00 0.00 H new ATOM 1385 N LEU A 96 4.710 2.809 11.602 1.00 0.00 N ATOM 1386 CA LEU A 96 5.462 3.788 10.825 1.00 0.00 C ATOM 1387 C LEU A 96 4.680 5.091 10.689 1.00 0.00 C ATOM 1388 O LEU A 96 3.491 5.151 11.004 1.00 0.00 O ATOM 1389 CB LEU A 96 5.787 3.228 9.439 1.00 0.00 C ATOM 1390 CG LEU A 96 4.779 3.545 8.334 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.374 3.243 6.967 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.493 2.759 8.543 1.00 0.00 C ATOM 0 H LEU A 96 3.829 2.521 11.177 1.00 0.00 H new ATOM 0 HA LEU A 96 6.393 3.997 11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.762 3.609 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.879 2.145 9.519 1.00 0.00 H new ATOM 0 HG LEU A 96 4.542 4.608 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.643 3.475 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.267 3.850 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.640 2.187 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.787 2.997 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.712 1.691 8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.057 3.024 9.506 1.00 0.00 H new ATOM 1404 N THR A 97 5.356 6.134 10.215 1.00 0.00 N ATOM 1405 CA THR A 97 4.725 7.436 10.036 1.00 0.00 C ATOM 1406 C THR A 97 4.711 7.842 8.567 1.00 0.00 C ATOM 1407 O THR A 97 5.700 8.356 8.045 1.00 0.00 O ATOM 1408 CB THR A 97 5.445 8.526 10.852 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.913 7.982 12.091 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.516 9.699 11.126 1.00 0.00 C ATOM 0 H THR A 97 6.340 6.102 9.948 1.00 0.00 H new ATOM 0 HA THR A 97 3.700 7.343 10.394 1.00 0.00 H new ATOM 0 HB THR A 97 6.294 8.884 10.269 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.371 8.681 12.603 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.046 10.456 11.704 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.185 10.129 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.650 9.353 11.690 1.00 0.00 H new ATOM 1418 N VAL A 98 3.582 7.609 7.904 1.00 0.00 N ATOM 1419 CA VAL A 98 3.439 7.953 6.495 1.00 0.00 C ATOM 1420 C VAL A 98 2.782 9.318 6.326 1.00 0.00 C ATOM 1421 O VAL A 98 1.732 9.591 6.910 1.00 0.00 O ATOM 1422 CB VAL A 98 2.606 6.899 5.741 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.059 5.495 6.113 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.125 7.084 6.031 1.00 0.00 C ATOM 0 H VAL A 98 2.754 7.184 8.321 1.00 0.00 H new ATOM 0 HA VAL A 98 4.444 7.981 6.073 1.00 0.00 H new ATOM 0 HB VAL A 98 2.763 7.034 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.460 4.764 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.109 5.370 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.933 5.344 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.552 6.331 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.948 6.976 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.813 8.078 5.710 1.00 0.00 H new ATOM 1434 N LEU A 99 3.406 10.174 5.524 1.00 0.00 N ATOM 1435 CA LEU A 99 2.882 11.513 5.277 1.00 0.00 C ATOM 1436 C LEU A 99 2.134 11.569 3.949 1.00 0.00 C ATOM 1437 O LEU A 99 2.155 12.585 3.255 1.00 0.00 O ATOM 1438 CB LEU A 99 4.020 12.536 5.279 1.00 0.00 C ATOM 1439 CG LEU A 99 3.601 14.006 5.301 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.700 14.286 6.495 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.825 14.909 5.331 1.00 0.00 C ATOM 0 H LEU A 99 4.276 9.965 5.034 1.00 0.00 H new ATOM 0 HA LEU A 99 2.182 11.756 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.651 12.346 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.635 12.367 4.395 1.00 0.00 H new ATOM 0 HG LEU A 99 3.040 14.218 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.412 15.337 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.807 13.665 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.235 14.057 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.508 15.952 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.413 14.695 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.433 14.728 4.444 1.00 0.00 H new ATOM 1453 N VAL A 100 1.472 10.470 3.602 1.00 0.00 N ATOM 1454 CA VAL A 100 0.714 10.394 2.359 1.00 0.00 C ATOM 1455 C VAL A 100 -0.527 11.277 2.417 1.00 0.00 C ATOM 1456 O VAL A 100 -0.855 11.837 3.464 1.00 0.00 O ATOM 1457 CB VAL A 100 0.288 8.947 2.048 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.444 7.988 2.283 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.919 8.556 2.887 1.00 0.00 C ATOM 0 H VAL A 100 1.445 9.620 4.165 1.00 0.00 H new ATOM 0 HA VAL A 100 1.372 10.749 1.566 1.00 0.00 H new ATOM 0 HB VAL A 100 0.006 8.887 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.124 6.971 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.278 8.258 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.760 8.047 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.207 7.531 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.667 8.631 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.750 9.225 2.664 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.215 11.397 1.287 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.422 12.212 1.209 1.00 0.00 C ATOM 1471 C CYS A 101 -3.209 11.898 -0.058 1.00 0.00 C ATOM 1472 O CYS A 101 -2.714 11.216 -0.956 1.00 0.00 O ATOM 1473 CB CYS A 101 -2.061 13.698 1.245 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.507 14.362 -0.343 1.00 0.00 S ATOM 0 H CYS A 101 -0.958 10.940 0.412 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.047 11.976 2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.930 14.264 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.276 13.852 1.985 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.227 15.625 -0.212 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.439 12.397 -0.124 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.296 12.169 -1.281 1.00 0.00 C ATOM 1482 C ASP A 102 -4.580 12.555 -2.572 1.00 0.00 C ATOM 1483 O ASP A 102 -4.276 13.725 -2.799 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.595 12.966 -1.145 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.204 12.849 0.238 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.791 13.614 1.135 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -8.094 11.993 0.424 1.00 0.00 O ATOM 0 H ASP A 102 -4.865 12.962 0.611 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.534 11.106 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.399 14.015 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.313 12.614 -1.886 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.314 11.562 -3.415 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.635 11.817 -4.672 1.00 0.00 C ATOM 1494 C GLY A 103 -4.561 11.700 -5.865 1.00 0.00 C ATOM 1495 O GLY A 103 -4.441 12.454 -6.831 1.00 0.00 O ATOM 0 H GLY A 103 -4.557 10.585 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.200 12.816 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.811 11.113 -4.785 1.00 0.00 H new