USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 737 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 Single : A 19 ASN : amide:sc= 0.441 X(o=0.44,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 24 LYS NZ :NH3+ -108:sc= 0.135 (180deg=-0.0323) USER MOD Single : A 36 THR OG1 : rot -122:sc= -0.426 USER MOD Single : A 41 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.0055) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 52 GLN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -1.77 (180deg=-2.53!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 69 GLN : amide:sc=-0.00491 X(o=-0.0049,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.99) USER MOD Single : A 78 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0.044) USER MOD Single : A 80 TYR OH : rot -153:sc= -0.853 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.947 K(o=-0.95,f=-0.17) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 73:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.358 11.430 -4.697 1.00 0.00 N ATOM 118 CA PHE A 8 -8.618 11.164 -3.460 1.00 0.00 C ATOM 119 C PHE A 8 -7.359 10.318 -3.679 1.00 0.00 C ATOM 120 O PHE A 8 -6.302 10.621 -3.123 1.00 0.00 O ATOM 121 CB PHE A 8 -9.532 10.469 -2.442 1.00 0.00 C ATOM 122 CG PHE A 8 -10.597 11.369 -1.882 1.00 0.00 C ATOM 123 CD1 PHE A 8 -10.358 12.129 -0.747 1.00 0.00 C ATOM 124 CD2 PHE A 8 -11.836 11.462 -2.496 1.00 0.00 C ATOM 125 CE1 PHE A 8 -11.335 12.963 -0.236 1.00 0.00 C ATOM 126 CE2 PHE A 8 -12.817 12.293 -1.990 1.00 0.00 C ATOM 127 CZ PHE A 8 -12.565 13.047 -0.860 1.00 0.00 C ATOM 0 HA PHE A 8 -8.290 12.132 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.006 9.610 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.924 10.085 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.398 12.069 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.037 10.877 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.137 13.548 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -13.779 12.353 -2.477 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.328 13.701 -0.465 1.00 0.00 H new ATOM 137 N LEU A 9 -7.472 9.266 -4.488 1.00 0.00 N ATOM 138 CA LEU A 9 -6.349 8.355 -4.744 1.00 0.00 C ATOM 139 C LEU A 9 -5.122 9.033 -5.386 1.00 0.00 C ATOM 140 O LEU A 9 -4.004 8.831 -4.914 1.00 0.00 O ATOM 141 CB LEU A 9 -6.799 7.172 -5.604 1.00 0.00 C ATOM 142 CG LEU A 9 -6.191 5.821 -5.217 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.013 5.157 -4.123 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.091 4.911 -6.433 1.00 0.00 C ATOM 0 H LEU A 9 -8.331 9.020 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.028 8.005 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.885 7.094 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.548 7.382 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.186 5.996 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.565 4.198 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.034 5.799 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.031 4.997 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.657 3.956 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.086 4.745 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.459 5.380 -7.187 1.00 0.00 H new ATOM 156 N PRO A 10 -5.282 9.832 -6.470 1.00 0.00 N ATOM 157 CA PRO A 10 -4.145 10.491 -7.128 1.00 0.00 C ATOM 158 C PRO A 10 -3.582 11.675 -6.334 1.00 0.00 C ATOM 159 O PRO A 10 -2.646 12.335 -6.786 1.00 0.00 O ATOM 160 CB PRO A 10 -4.723 10.971 -8.474 1.00 0.00 C ATOM 161 CG PRO A 10 -6.087 10.377 -8.569 1.00 0.00 C ATOM 162 CD PRO A 10 -6.540 10.147 -7.158 1.00 0.00 C ATOM 0 HA PRO A 10 -3.303 9.806 -7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.767 12.059 -8.514 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.097 10.647 -9.305 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.768 11.048 -9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.067 9.442 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.023 11.029 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.256 9.328 -7.090 1.00 0.00 H new ATOM 170 N GLU A 11 -4.140 11.937 -5.154 1.00 0.00 N ATOM 171 CA GLU A 11 -3.677 13.044 -4.319 1.00 0.00 C ATOM 172 C GLU A 11 -2.934 12.543 -3.077 1.00 0.00 C ATOM 173 O GLU A 11 -2.050 13.224 -2.560 1.00 0.00 O ATOM 174 CB GLU A 11 -4.861 13.920 -3.906 1.00 0.00 C ATOM 175 CG GLU A 11 -4.512 15.392 -3.763 1.00 0.00 C ATOM 176 CD GLU A 11 -5.710 16.240 -3.388 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.985 16.375 -2.178 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.375 16.768 -4.304 1.00 0.00 O ATOM 0 H GLU A 11 -4.910 11.400 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.977 13.636 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.655 13.814 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.257 13.556 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.738 15.506 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.094 15.755 -4.702 1.00 0.00 H new ATOM 185 N ILE A 12 -3.287 11.346 -2.614 1.00 0.00 N ATOM 186 CA ILE A 12 -2.665 10.769 -1.421 1.00 0.00 C ATOM 187 C ILE A 12 -1.262 10.219 -1.700 1.00 0.00 C ATOM 188 O ILE A 12 -0.417 10.202 -0.805 1.00 0.00 O ATOM 189 CB ILE A 12 -3.534 9.654 -0.789 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.070 8.697 -1.852 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.686 10.264 -0.007 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.309 7.395 -1.936 1.00 0.00 C ATOM 0 H ILE A 12 -3.999 10.756 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.580 11.593 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.902 9.083 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.117 8.482 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.036 9.191 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.289 9.469 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.291 10.900 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.305 10.861 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.747 6.767 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.266 7.598 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.364 6.879 -0.978 1.00 0.00 H new ATOM 204 N LEU A 13 -1.027 9.758 -2.935 1.00 0.00 N ATOM 205 CA LEU A 13 0.267 9.184 -3.320 1.00 0.00 C ATOM 206 C LEU A 13 1.441 10.138 -3.061 1.00 0.00 C ATOM 207 O LEU A 13 2.542 9.695 -2.754 1.00 0.00 O ATOM 208 CB LEU A 13 0.259 8.740 -4.796 1.00 0.00 C ATOM 209 CG LEU A 13 -0.264 9.763 -5.814 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.860 10.660 -6.316 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.919 9.048 -6.987 1.00 0.00 C ATOM 0 H LEU A 13 -1.718 9.772 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 13 0.414 8.310 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.277 8.469 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.346 7.837 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.004 10.388 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.461 11.375 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.299 11.198 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.625 10.050 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.286 9.784 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.188 8.402 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.753 8.445 -6.626 1.00 0.00 H new ATOM 223 N ALA A 14 1.199 11.443 -3.176 1.00 0.00 N ATOM 224 CA ALA A 14 2.243 12.446 -2.959 1.00 0.00 C ATOM 225 C ALA A 14 2.723 12.447 -1.509 1.00 0.00 C ATOM 226 O ALA A 14 3.924 12.495 -1.241 1.00 0.00 O ATOM 227 CB ALA A 14 1.729 13.825 -3.349 1.00 0.00 C ATOM 0 H ALA A 14 0.288 11.832 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 14 3.095 12.190 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.512 14.565 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.446 13.824 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.860 14.075 -2.740 1.00 0.00 H new ATOM 233 N GLU A 15 1.772 12.386 -0.579 1.00 0.00 N ATOM 234 CA GLU A 15 2.079 12.388 0.851 1.00 0.00 C ATOM 235 C GLU A 15 2.630 11.045 1.343 1.00 0.00 C ATOM 236 O GLU A 15 3.128 10.959 2.465 1.00 0.00 O ATOM 237 CB GLU A 15 0.829 12.739 1.655 1.00 0.00 C ATOM 238 CG GLU A 15 0.433 14.205 1.579 1.00 0.00 C ATOM 239 CD GLU A 15 -0.816 14.503 2.385 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.925 14.365 1.830 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.684 14.868 3.573 1.00 0.00 O ATOM 0 H GLU A 15 0.776 12.334 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 15 2.855 13.139 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.002 12.130 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.995 12.472 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.255 14.821 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.266 14.481 0.538 1.00 0.00 H new ATOM 248 N ILE A 16 2.552 9.997 0.522 1.00 0.00 N ATOM 249 CA ILE A 16 3.040 8.683 0.946 1.00 0.00 C ATOM 250 C ILE A 16 4.483 8.419 0.502 1.00 0.00 C ATOM 251 O ILE A 16 5.201 7.687 1.172 1.00 0.00 O ATOM 252 CB ILE A 16 2.125 7.523 0.468 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.385 6.269 1.305 1.00 0.00 C ATOM 254 CG2 ILE A 16 2.333 7.216 -1.007 1.00 0.00 C ATOM 255 CD1 ILE A 16 1.133 5.499 1.653 1.00 0.00 C ATOM 0 H ILE A 16 2.164 10.029 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 16 3.017 8.710 2.035 1.00 0.00 H new ATOM 0 HB ILE A 16 1.091 7.840 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.064 5.613 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.891 6.557 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.676 6.399 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.102 8.102 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.370 6.927 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.397 4.624 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.461 6.137 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.636 5.179 0.737 1.00 0.00 H new ATOM 267 N ILE A 17 4.918 9.019 -0.606 1.00 0.00 N ATOM 268 CA ILE A 17 6.285 8.802 -1.091 1.00 0.00 C ATOM 269 C ILE A 17 7.327 9.339 -0.105 1.00 0.00 C ATOM 270 O ILE A 17 8.404 8.762 0.050 1.00 0.00 O ATOM 271 CB ILE A 17 6.523 9.449 -2.476 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.454 8.999 -3.470 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.906 9.092 -3.006 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.175 10.006 -4.566 1.00 0.00 C ATOM 0 H ILE A 17 4.356 9.649 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 17 6.400 7.722 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 17 6.461 10.531 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.767 8.059 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.529 8.799 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.053 9.557 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.666 9.454 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.990 8.010 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.406 9.615 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.831 10.940 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.088 10.188 -5.134 1.00 0.00 H new ATOM 286 N ALA A 18 6.989 10.428 0.582 1.00 0.00 N ATOM 287 CA ALA A 18 7.901 11.049 1.537 1.00 0.00 C ATOM 288 C ALA A 18 7.761 10.467 2.947 1.00 0.00 C ATOM 289 O ALA A 18 8.590 10.737 3.813 1.00 0.00 O ATOM 290 CB ALA A 18 7.672 12.552 1.564 1.00 0.00 C ATOM 0 H ALA A 18 6.088 10.899 0.494 1.00 0.00 H new ATOM 0 HA ALA A 18 8.917 10.835 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.355 13.011 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.853 12.965 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.644 12.758 1.861 1.00 0.00 H new ATOM 296 N ASN A 19 6.709 9.680 3.180 1.00 0.00 N ATOM 297 CA ASN A 19 6.478 9.088 4.502 1.00 0.00 C ATOM 298 C ASN A 19 6.462 7.562 4.452 1.00 0.00 C ATOM 299 O ASN A 19 5.894 6.911 5.332 1.00 0.00 O ATOM 300 CB ASN A 19 5.156 9.596 5.083 1.00 0.00 C ATOM 301 CG ASN A 19 5.236 11.042 5.529 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.611 11.333 6.664 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.881 11.958 4.635 1.00 0.00 N ATOM 0 H ASN A 19 6.009 9.438 2.479 1.00 0.00 H new ATOM 0 HA ASN A 19 7.306 9.393 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.370 9.493 4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.872 8.973 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.913 12.948 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.576 11.671 3.705 1.00 0.00 H new ATOM 310 N LEU A 20 7.086 6.987 3.430 1.00 0.00 N ATOM 311 CA LEU A 20 7.121 5.533 3.290 1.00 0.00 C ATOM 312 C LEU A 20 8.546 5.003 3.307 1.00 0.00 C ATOM 313 O LEU A 20 9.475 5.659 2.836 1.00 0.00 O ATOM 314 CB LEU A 20 6.439 5.091 1.993 1.00 0.00 C ATOM 315 CG LEU A 20 6.094 3.602 1.915 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.748 3.336 2.563 1.00 0.00 C ATOM 317 CD2 LEU A 20 6.095 3.128 0.468 1.00 0.00 C ATOM 0 H LEU A 20 7.571 7.498 2.692 1.00 0.00 H new ATOM 0 HA LEU A 20 6.582 5.121 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.522 5.667 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.090 5.342 1.155 1.00 0.00 H new ATOM 0 HG LEU A 20 6.855 3.042 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.517 2.273 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.782 3.638 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.976 3.906 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.848 2.067 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.355 3.692 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.083 3.285 0.034 1.00 0.00 H new ATOM 329 N ASP A 21 8.701 3.802 3.850 1.00 0.00 N ATOM 330 CA ASP A 21 10.000 3.151 3.923 1.00 0.00 C ATOM 331 C ASP A 21 9.912 1.751 3.325 1.00 0.00 C ATOM 332 O ASP A 21 9.422 0.826 3.972 1.00 0.00 O ATOM 333 CB ASP A 21 10.488 3.083 5.372 1.00 0.00 C ATOM 334 CG ASP A 21 10.914 4.438 5.899 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.048 5.178 6.413 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.116 4.764 5.793 1.00 0.00 O ATOM 0 H ASP A 21 7.936 3.257 4.248 1.00 0.00 H new ATOM 0 HA ASP A 21 10.718 3.737 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.693 2.684 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.326 2.390 5.439 1.00 0.00 H new ATOM 341 N PRO A 22 10.386 1.587 2.073 1.00 0.00 N ATOM 342 CA PRO A 22 10.355 0.300 1.350 1.00 0.00 C ATOM 343 C PRO A 22 11.084 -0.838 2.066 1.00 0.00 C ATOM 344 O PRO A 22 10.829 -2.007 1.793 1.00 0.00 O ATOM 345 CB PRO A 22 11.065 0.615 0.027 1.00 0.00 C ATOM 346 CG PRO A 22 10.957 2.091 -0.132 1.00 0.00 C ATOM 347 CD PRO A 22 10.989 2.656 1.256 1.00 0.00 C ATOM 0 HA PRO A 22 9.330 -0.055 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.107 0.297 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.594 0.094 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.780 2.481 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.033 2.362 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.007 2.880 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.421 3.584 1.326 1.00 0.00 H new ATOM 355 N THR A 23 11.986 -0.494 2.976 1.00 0.00 N ATOM 356 CA THR A 23 12.758 -1.489 3.712 1.00 0.00 C ATOM 357 C THR A 23 11.941 -2.167 4.810 1.00 0.00 C ATOM 358 O THR A 23 11.928 -3.392 4.922 1.00 0.00 O ATOM 359 CB THR A 23 13.999 -0.843 4.354 1.00 0.00 C ATOM 360 OG1 THR A 23 13.666 0.456 4.860 1.00 0.00 O ATOM 361 CG2 THR A 23 15.131 -0.720 3.346 1.00 0.00 C ATOM 0 H THR A 23 12.202 0.472 3.224 1.00 0.00 H new ATOM 0 HA THR A 23 13.055 -2.246 2.986 1.00 0.00 H new ATOM 0 HB THR A 23 14.330 -1.482 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.459 0.861 5.269 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.996 -0.261 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.402 -1.711 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.808 -0.101 2.509 1.00 0.00 H new ATOM 369 N LYS A 24 11.259 -1.358 5.615 1.00 0.00 N ATOM 370 CA LYS A 24 10.472 -1.863 6.738 1.00 0.00 C ATOM 371 C LYS A 24 9.181 -2.566 6.311 1.00 0.00 C ATOM 372 O LYS A 24 8.713 -3.462 7.008 1.00 0.00 O ATOM 373 CB LYS A 24 10.152 -0.723 7.707 1.00 0.00 C ATOM 374 CG LYS A 24 11.137 -0.610 8.861 1.00 0.00 C ATOM 375 CD LYS A 24 10.683 0.421 9.882 1.00 0.00 C ATOM 376 CE LYS A 24 9.845 -0.210 10.984 1.00 0.00 C ATOM 377 NZ LYS A 24 9.418 0.792 12.001 1.00 0.00 N ATOM 0 H LYS A 24 11.235 -0.344 5.510 1.00 0.00 H new ATOM 0 HA LYS A 24 11.085 -2.616 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.140 0.218 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.149 -0.870 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.244 -1.581 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.119 -0.335 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.554 0.907 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.103 1.197 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.965 -0.681 10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.419 -0.999 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.948 0.639 12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.608 1.751 11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.400 0.687 12.186 1.00 0.00 H new ATOM 391 N ILE A 25 8.602 -2.177 5.181 1.00 0.00 N ATOM 392 CA ILE A 25 7.352 -2.799 4.737 1.00 0.00 C ATOM 393 C ILE A 25 7.585 -4.064 3.908 1.00 0.00 C ATOM 394 O ILE A 25 6.810 -5.015 4.003 1.00 0.00 O ATOM 395 CB ILE A 25 6.465 -1.820 3.932 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.269 -1.136 2.826 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.842 -0.786 4.856 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.429 -0.733 1.637 1.00 0.00 C ATOM 0 H ILE A 25 8.965 -1.450 4.564 1.00 0.00 H new ATOM 0 HA ILE A 25 6.831 -3.077 5.653 1.00 0.00 H new ATOM 0 HB ILE A 25 5.666 -2.394 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.755 -0.250 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.059 -1.808 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.221 -0.105 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.228 -1.289 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.630 -0.222 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.062 -0.254 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.963 -1.618 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.655 -0.036 1.958 1.00 0.00 H new ATOM 410 N LEU A 26 8.653 -4.086 3.115 1.00 0.00 N ATOM 411 CA LEU A 26 8.947 -5.240 2.263 1.00 0.00 C ATOM 412 C LEU A 26 9.379 -6.462 3.071 1.00 0.00 C ATOM 413 O LEU A 26 9.077 -7.596 2.692 1.00 0.00 O ATOM 414 CB LEU A 26 10.032 -4.894 1.244 1.00 0.00 C ATOM 415 CG LEU A 26 9.923 -5.638 -0.086 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.981 -4.903 -1.023 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.295 -5.803 -0.723 1.00 0.00 C ATOM 0 H LEU A 26 9.327 -3.324 3.043 1.00 0.00 H new ATOM 0 HA LEU A 26 8.022 -5.491 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.998 -3.822 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.006 -5.107 1.685 1.00 0.00 H new ATOM 0 HG LEU A 26 9.517 -6.631 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.912 -5.443 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.992 -4.839 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.361 -3.898 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.195 -6.335 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.733 -4.821 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.941 -6.371 -0.054 1.00 0.00 H new ATOM 429 N GLU A 27 10.070 -6.229 4.182 1.00 0.00 N ATOM 430 CA GLU A 27 10.564 -7.315 5.027 1.00 0.00 C ATOM 431 C GLU A 27 9.437 -8.033 5.773 1.00 0.00 C ATOM 432 O GLU A 27 9.453 -9.257 5.899 1.00 0.00 O ATOM 433 CB GLU A 27 11.582 -6.771 6.033 1.00 0.00 C ATOM 434 CG GLU A 27 12.927 -6.423 5.411 1.00 0.00 C ATOM 435 CD GLU A 27 13.805 -7.638 5.187 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.575 -7.989 6.105 1.00 0.00 O ATOM 437 OE2 GLU A 27 13.726 -8.235 4.094 1.00 0.00 O ATOM 0 H GLU A 27 10.302 -5.295 4.521 1.00 0.00 H new ATOM 0 HA GLU A 27 11.039 -8.044 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.170 -5.881 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.735 -7.511 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.762 -5.920 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.449 -5.718 6.058 1.00 0.00 H new ATOM 444 N GLU A 28 8.455 -7.270 6.247 1.00 0.00 N ATOM 445 CA GLU A 28 7.340 -7.834 7.007 1.00 0.00 C ATOM 446 C GLU A 28 6.336 -8.570 6.118 1.00 0.00 C ATOM 447 O GLU A 28 5.606 -9.442 6.593 1.00 0.00 O ATOM 448 CB GLU A 28 6.628 -6.725 7.790 1.00 0.00 C ATOM 449 CG GLU A 28 7.141 -6.561 9.214 1.00 0.00 C ATOM 450 CD GLU A 28 8.421 -5.749 9.289 1.00 0.00 C ATOM 451 OE1 GLU A 28 9.508 -6.327 9.078 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.336 -4.533 9.559 1.00 0.00 O ATOM 0 H GLU A 28 8.408 -6.259 6.119 1.00 0.00 H new ATOM 0 HA GLU A 28 7.759 -8.567 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.748 -5.781 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.560 -6.940 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.374 -6.077 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.315 -7.546 9.648 1.00 0.00 H new ATOM 459 N LEU A 29 6.300 -8.222 4.836 1.00 0.00 N ATOM 460 CA LEU A 29 5.374 -8.850 3.897 1.00 0.00 C ATOM 461 C LEU A 29 5.890 -10.206 3.422 1.00 0.00 C ATOM 462 O LEU A 29 5.135 -11.177 3.350 1.00 0.00 O ATOM 463 CB LEU A 29 5.145 -7.933 2.695 1.00 0.00 C ATOM 464 CG LEU A 29 4.353 -6.659 2.995 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.489 -5.663 1.855 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.892 -6.987 3.246 1.00 0.00 C ATOM 0 H LEU A 29 6.901 -7.509 4.422 1.00 0.00 H new ATOM 0 HA LEU A 29 4.431 -9.012 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.114 -7.652 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.620 -8.496 1.923 1.00 0.00 H new ATOM 0 HG LEU A 29 4.763 -6.204 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.919 -4.764 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.539 -5.403 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.107 -6.107 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.344 -6.069 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.470 -7.466 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.812 -7.662 4.098 1.00 0.00 H new ATOM 478 N LEU A 30 7.179 -10.262 3.102 1.00 0.00 N ATOM 479 CA LEU A 30 7.804 -11.487 2.616 1.00 0.00 C ATOM 480 C LEU A 30 8.008 -12.509 3.730 1.00 0.00 C ATOM 481 O LEU A 30 7.975 -13.716 3.485 1.00 0.00 O ATOM 482 CB LEU A 30 9.142 -11.167 1.952 1.00 0.00 C ATOM 483 CG LEU A 30 9.035 -10.481 0.592 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.287 -9.671 0.302 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.792 -11.508 -0.504 1.00 0.00 C ATOM 0 H LEU A 30 7.815 -9.467 3.171 1.00 0.00 H new ATOM 0 HA LEU A 30 7.128 -11.929 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.720 -10.529 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.703 -12.094 1.832 1.00 0.00 H new ATOM 0 HG LEU A 30 8.186 -9.798 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.192 -9.190 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.415 -8.910 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.154 -10.331 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.718 -11.002 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.620 -12.216 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.863 -12.042 -0.303 1.00 0.00 H new ATOM 497 N ARG A 31 8.222 -12.024 4.951 1.00 0.00 N ATOM 498 CA ARG A 31 8.446 -12.903 6.095 1.00 0.00 C ATOM 499 C ARG A 31 7.172 -13.650 6.489 1.00 0.00 C ATOM 500 O ARG A 31 7.236 -14.753 7.034 1.00 0.00 O ATOM 501 CB ARG A 31 8.967 -12.098 7.287 1.00 0.00 C ATOM 502 CG ARG A 31 9.985 -12.851 8.130 1.00 0.00 C ATOM 503 CD ARG A 31 9.318 -13.571 9.288 1.00 0.00 C ATOM 504 NE ARG A 31 10.277 -14.299 10.113 1.00 0.00 N ATOM 505 CZ ARG A 31 9.923 -15.136 11.084 1.00 0.00 C ATOM 506 NH1 ARG A 31 8.639 -15.358 11.332 1.00 0.00 N ATOM 507 NH2 ARG A 31 10.850 -15.756 11.802 1.00 0.00 N ATOM 0 H ARG A 31 8.245 -11.029 5.173 1.00 0.00 H new ATOM 0 HA ARG A 31 9.192 -13.642 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.420 -11.176 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.125 -11.812 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.514 -13.572 7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.730 -12.154 8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.787 -12.847 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.574 -14.267 8.900 1.00 0.00 H new ATOM 0 HE ARG A 31 11.272 -14.158 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.924 -14.887 10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.367 -16.000 12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.838 -15.592 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.575 -16.397 12.546 1.00 0.00 H new ATOM 521 N ARG A 32 6.017 -13.053 6.209 1.00 0.00 N ATOM 522 CA ARG A 32 4.739 -13.671 6.549 1.00 0.00 C ATOM 523 C ARG A 32 4.201 -14.521 5.397 1.00 0.00 C ATOM 524 O ARG A 32 3.251 -15.285 5.576 1.00 0.00 O ATOM 525 CB ARG A 32 3.723 -12.598 6.943 1.00 0.00 C ATOM 526 CG ARG A 32 4.026 -11.945 8.284 1.00 0.00 C ATOM 527 CD ARG A 32 3.400 -12.714 9.435 1.00 0.00 C ATOM 528 NE ARG A 32 3.665 -12.085 10.728 1.00 0.00 N ATOM 529 CZ ARG A 32 3.142 -12.512 11.875 1.00 0.00 C ATOM 530 NH1 ARG A 32 2.333 -13.563 11.885 1.00 0.00 N ATOM 531 NH2 ARG A 32 3.425 -11.888 13.013 1.00 0.00 N ATOM 0 H ARG A 32 5.939 -12.146 5.749 1.00 0.00 H new ATOM 0 HA ARG A 32 4.903 -14.334 7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.698 -11.830 6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.729 -13.045 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.105 -11.890 8.427 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.652 -10.921 8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.323 -12.783 9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.787 -13.733 9.442 1.00 0.00 H new ATOM 0 HE ARG A 32 4.284 -11.275 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.111 -14.044 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.932 -13.890 12.764 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.045 -11.078 13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.022 -12.219 13.890 1.00 0.00 H new ATOM 545 N GLY A 33 4.817 -14.392 4.224 1.00 0.00 N ATOM 546 CA GLY A 33 4.386 -15.158 3.066 1.00 0.00 C ATOM 547 C GLY A 33 3.154 -14.570 2.405 1.00 0.00 C ATOM 548 O GLY A 33 2.349 -15.295 1.820 1.00 0.00 O ATOM 0 H GLY A 33 5.608 -13.770 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.198 -15.201 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.176 -16.183 3.370 1.00 0.00 H new ATOM 552 N LEU A 34 3.007 -13.253 2.505 1.00 0.00 N ATOM 553 CA LEU A 34 1.865 -12.553 1.922 1.00 0.00 C ATOM 554 C LEU A 34 2.214 -11.930 0.569 1.00 0.00 C ATOM 555 O LEU A 34 1.328 -11.503 -0.171 1.00 0.00 O ATOM 556 CB LEU A 34 1.389 -11.459 2.887 1.00 0.00 C ATOM 557 CG LEU A 34 0.015 -10.858 2.581 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.749 -10.595 3.870 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.169 -9.575 1.780 1.00 0.00 C ATOM 0 H LEU A 34 3.668 -12.645 2.987 1.00 0.00 H new ATOM 0 HA LEU A 34 1.070 -13.281 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.368 -11.873 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.125 -10.655 2.888 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.554 -11.572 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.724 -10.168 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.884 -11.532 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.187 -9.897 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.815 -9.158 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.753 -8.855 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.680 -9.791 0.842 1.00 0.00 H new ATOM 571 N LEU A 35 3.493 -11.919 0.219 1.00 0.00 N ATOM 572 CA LEU A 35 3.919 -11.306 -1.030 1.00 0.00 C ATOM 573 C LEU A 35 4.380 -12.356 -2.038 1.00 0.00 C ATOM 574 O LEU A 35 5.034 -13.336 -1.674 1.00 0.00 O ATOM 575 CB LEU A 35 5.057 -10.320 -0.763 1.00 0.00 C ATOM 576 CG LEU A 35 4.953 -8.985 -1.506 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.825 -7.928 -0.842 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.344 -9.158 -2.965 1.00 0.00 C ATOM 0 H LEU A 35 4.246 -12.323 0.776 1.00 0.00 H new ATOM 0 HA LEU A 35 3.064 -10.779 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.098 -10.119 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.999 -10.796 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 35 3.917 -8.649 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.736 -6.988 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.500 -7.783 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.865 -8.255 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.265 -8.200 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.371 -9.519 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.677 -9.879 -3.437 1.00 0.00 H new ATOM 590 N THR A 36 4.028 -12.146 -3.309 1.00 0.00 N ATOM 591 CA THR A 36 4.413 -13.071 -4.369 1.00 0.00 C ATOM 592 C THR A 36 5.674 -12.584 -5.091 1.00 0.00 C ATOM 593 O THR A 36 5.942 -11.387 -5.146 1.00 0.00 O ATOM 594 CB THR A 36 3.283 -13.261 -5.400 1.00 0.00 C ATOM 595 OG1 THR A 36 2.854 -11.991 -5.901 1.00 0.00 O ATOM 596 CG2 THR A 36 2.105 -14.003 -4.782 1.00 0.00 C ATOM 0 H THR A 36 3.479 -11.346 -3.625 1.00 0.00 H new ATOM 0 HA THR A 36 4.615 -14.030 -3.891 1.00 0.00 H new ATOM 0 HB THR A 36 3.671 -13.858 -6.226 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.896 -11.879 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.320 -14.125 -5.528 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.433 -14.983 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.718 -13.432 -3.938 1.00 0.00 H new ATOM 604 N PRO A 37 6.464 -13.513 -5.654 1.00 0.00 N ATOM 605 CA PRO A 37 7.704 -13.180 -6.375 1.00 0.00 C ATOM 606 C PRO A 37 7.459 -12.421 -7.683 1.00 0.00 C ATOM 607 O PRO A 37 8.267 -11.578 -8.072 1.00 0.00 O ATOM 608 CB PRO A 37 8.335 -14.551 -6.671 1.00 0.00 C ATOM 609 CG PRO A 37 7.582 -15.535 -5.840 1.00 0.00 C ATOM 610 CD PRO A 37 6.218 -14.956 -5.632 1.00 0.00 C ATOM 0 HA PRO A 37 8.334 -12.517 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.259 -14.795 -7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.395 -14.556 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.522 -16.501 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.083 -15.702 -4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.527 -15.259 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.784 -15.277 -4.685 1.00 0.00 H new ATOM 618 N ALA A 38 6.346 -12.724 -8.353 1.00 0.00 N ATOM 619 CA ALA A 38 5.999 -12.075 -9.618 1.00 0.00 C ATOM 620 C ALA A 38 5.637 -10.607 -9.406 1.00 0.00 C ATOM 621 O ALA A 38 6.035 -9.740 -10.184 1.00 0.00 O ATOM 622 CB ALA A 38 4.849 -12.812 -10.283 1.00 0.00 C ATOM 0 H ALA A 38 5.667 -13.418 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 38 6.872 -12.113 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.598 -12.322 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.142 -13.843 -10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.980 -12.800 -9.625 1.00 0.00 H new ATOM 628 N GLU A 39 4.880 -10.340 -8.345 1.00 0.00 N ATOM 629 CA GLU A 39 4.465 -8.982 -8.016 1.00 0.00 C ATOM 630 C GLU A 39 5.642 -8.192 -7.445 1.00 0.00 C ATOM 631 O GLU A 39 5.761 -6.981 -7.663 1.00 0.00 O ATOM 632 CB GLU A 39 3.310 -9.016 -7.015 1.00 0.00 C ATOM 633 CG GLU A 39 1.961 -9.324 -7.649 1.00 0.00 C ATOM 634 CD GLU A 39 0.812 -9.149 -6.675 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.366 -7.999 -6.484 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.359 -10.163 -6.104 1.00 0.00 O ATOM 0 H GLU A 39 4.541 -11.051 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 39 4.126 -8.487 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.523 -9.766 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.252 -8.053 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.808 -8.671 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.964 -10.348 -8.024 1.00 0.00 H new ATOM 643 N LEU A 40 6.513 -8.895 -6.721 1.00 0.00 N ATOM 644 CA LEU A 40 7.690 -8.280 -6.119 1.00 0.00 C ATOM 645 C LEU A 40 8.660 -7.800 -7.185 1.00 0.00 C ATOM 646 O LEU A 40 9.102 -6.656 -7.154 1.00 0.00 O ATOM 647 CB LEU A 40 8.405 -9.265 -5.197 1.00 0.00 C ATOM 648 CG LEU A 40 9.473 -8.636 -4.295 1.00 0.00 C ATOM 649 CD1 LEU A 40 8.839 -8.062 -3.040 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.545 -9.653 -3.930 1.00 0.00 C ATOM 0 H LEU A 40 6.423 -9.894 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 40 7.349 -7.424 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.663 -9.759 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.873 -10.039 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 40 9.947 -7.825 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.612 -7.620 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.114 -7.297 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.336 -8.857 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.291 -9.182 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.088 -10.489 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.025 -10.018 -4.838 1.00 0.00 H new ATOM 662 N GLN A 41 8.981 -8.687 -8.128 1.00 0.00 N ATOM 663 CA GLN A 41 9.903 -8.381 -9.206 1.00 0.00 C ATOM 664 C GLN A 41 9.422 -7.215 -10.057 1.00 0.00 C ATOM 665 O GLN A 41 10.216 -6.572 -10.732 1.00 0.00 O ATOM 666 CB GLN A 41 10.082 -9.612 -10.082 1.00 0.00 C ATOM 667 CG GLN A 41 11.512 -9.832 -10.521 1.00 0.00 C ATOM 668 CD GLN A 41 12.396 -10.365 -9.405 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.410 -11.566 -9.137 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.138 -9.481 -8.740 1.00 0.00 N ATOM 0 H GLN A 41 8.606 -9.635 -8.160 1.00 0.00 H new ATOM 0 HA GLN A 41 10.854 -8.092 -8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.738 -10.491 -9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.449 -9.516 -10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.527 -10.532 -11.356 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.924 -8.891 -10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.101 -8.493 -8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.744 -9.792 -7.981 1.00 0.00 H new ATOM 679 N GLU A 42 8.124 -6.947 -10.023 1.00 0.00 N ATOM 680 CA GLU A 42 7.560 -5.857 -10.809 1.00 0.00 C ATOM 681 C GLU A 42 7.876 -4.497 -10.187 1.00 0.00 C ATOM 682 O GLU A 42 8.513 -3.647 -10.819 1.00 0.00 O ATOM 683 CB GLU A 42 6.044 -6.032 -10.946 1.00 0.00 C ATOM 684 CG GLU A 42 5.495 -5.590 -12.294 1.00 0.00 C ATOM 685 CD GLU A 42 5.703 -6.627 -13.382 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.838 -7.515 -13.527 1.00 0.00 O ATOM 687 OE2 GLU A 42 6.731 -6.549 -14.087 1.00 0.00 O ATOM 0 H GLU A 42 7.446 -7.465 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 42 8.017 -5.889 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.793 -7.081 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.549 -5.464 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.430 -5.381 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.977 -4.658 -12.590 1.00 0.00 H new ATOM 694 N VAL A 43 7.481 -4.313 -8.928 1.00 0.00 N ATOM 695 CA VAL A 43 7.700 -3.045 -8.237 1.00 0.00 C ATOM 696 C VAL A 43 9.156 -2.864 -7.795 1.00 0.00 C ATOM 697 O VAL A 43 9.644 -1.741 -7.696 1.00 0.00 O ATOM 698 CB VAL A 43 6.753 -2.891 -7.020 1.00 0.00 C ATOM 699 CG1 VAL A 43 6.982 -3.991 -5.997 1.00 0.00 C ATOM 700 CG2 VAL A 43 6.909 -1.518 -6.377 1.00 0.00 C ATOM 0 H VAL A 43 7.010 -5.023 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 43 7.472 -2.262 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 43 5.731 -2.983 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.302 -3.853 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.797 -4.961 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.012 -3.949 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.233 -1.436 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.937 -1.390 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.668 -0.745 -7.107 1.00 0.00 H new ATOM 710 N LEU A 44 9.860 -3.963 -7.560 1.00 0.00 N ATOM 711 CA LEU A 44 11.248 -3.885 -7.121 1.00 0.00 C ATOM 712 C LEU A 44 12.191 -3.607 -8.287 1.00 0.00 C ATOM 713 O LEU A 44 13.322 -3.165 -8.085 1.00 0.00 O ATOM 714 CB LEU A 44 11.654 -5.173 -6.414 1.00 0.00 C ATOM 715 CG LEU A 44 12.976 -5.105 -5.650 1.00 0.00 C ATOM 716 CD1 LEU A 44 12.742 -4.608 -4.234 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.653 -6.466 -5.638 1.00 0.00 C ATOM 0 H LEU A 44 9.498 -4.911 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 44 11.326 -3.053 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.863 -5.451 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.721 -5.970 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 44 13.636 -4.400 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.692 -4.565 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.299 -3.613 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.067 -5.289 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.593 -6.400 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.001 -7.193 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.851 -6.783 -6.662 1.00 0.00 H new ATOM 729 N ASP A 45 11.720 -3.855 -9.507 1.00 0.00 N ATOM 730 CA ASP A 45 12.538 -3.622 -10.689 1.00 0.00 C ATOM 731 C ASP A 45 12.424 -2.177 -11.160 1.00 0.00 C ATOM 732 O ASP A 45 13.412 -1.596 -11.609 1.00 0.00 O ATOM 733 CB ASP A 45 12.153 -4.577 -11.817 1.00 0.00 C ATOM 734 CG ASP A 45 13.107 -5.753 -11.919 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.295 -6.457 -10.902 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.668 -5.969 -13.013 1.00 0.00 O ATOM 0 H ASP A 45 10.785 -4.214 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 45 13.575 -3.812 -10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.141 -4.945 -11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.143 -4.035 -12.763 1.00 0.00 H new ATOM 741 N LEU A 46 11.226 -1.591 -11.061 1.00 0.00 N ATOM 742 CA LEU A 46 11.046 -0.202 -11.485 1.00 0.00 C ATOM 743 C LEU A 46 11.744 0.752 -10.525 1.00 0.00 C ATOM 744 O LEU A 46 11.734 0.554 -9.309 1.00 0.00 O ATOM 745 CB LEU A 46 9.565 0.194 -11.609 1.00 0.00 C ATOM 746 CG LEU A 46 8.611 -0.393 -10.564 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.411 0.586 -9.421 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.273 -0.735 -11.198 1.00 0.00 C ATOM 0 H LEU A 46 10.387 -2.045 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 46 11.496 -0.125 -12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.497 1.281 -11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.214 -0.104 -12.597 1.00 0.00 H new ATOM 0 HG LEU A 46 9.054 -1.307 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.731 0.154 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.371 0.794 -8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.988 1.514 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.608 -1.151 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.828 0.167 -11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.423 -1.467 -11.991 1.00 0.00 H new ATOM 760 N LYS A 47 12.356 1.786 -11.084 1.00 0.00 N ATOM 761 CA LYS A 47 13.052 2.782 -10.286 1.00 0.00 C ATOM 762 C LYS A 47 12.245 4.069 -10.237 1.00 0.00 C ATOM 763 O LYS A 47 12.734 5.109 -9.800 1.00 0.00 O ATOM 764 CB LYS A 47 14.438 3.055 -10.866 1.00 0.00 C ATOM 765 CG LYS A 47 15.451 1.961 -10.572 1.00 0.00 C ATOM 766 CD LYS A 47 16.812 2.299 -11.155 1.00 0.00 C ATOM 767 CE LYS A 47 17.826 1.202 -10.884 1.00 0.00 C ATOM 768 NZ LYS A 47 19.159 1.528 -11.459 1.00 0.00 N ATOM 0 H LYS A 47 12.384 1.956 -12.089 1.00 0.00 H new ATOM 0 HA LYS A 47 13.167 2.397 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.352 3.178 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.810 3.999 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.539 1.823 -9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.100 1.016 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.720 2.452 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.168 3.237 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.921 1.052 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.468 0.263 -11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.824 0.755 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.073 1.646 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.513 2.411 -11.037 1.00 0.00 H new ATOM 782 N THR A 48 11.002 3.987 -10.697 1.00 0.00 N ATOM 783 CA THR A 48 10.110 5.139 -10.720 1.00 0.00 C ATOM 784 C THR A 48 9.378 5.291 -9.388 1.00 0.00 C ATOM 785 O THR A 48 8.542 4.463 -9.039 1.00 0.00 O ATOM 786 CB THR A 48 9.091 5.011 -11.867 1.00 0.00 C ATOM 787 OG1 THR A 48 8.678 3.644 -11.995 1.00 0.00 O ATOM 788 CG2 THR A 48 9.707 5.476 -13.179 1.00 0.00 C ATOM 0 H THR A 48 10.588 3.129 -11.061 1.00 0.00 H new ATOM 0 HA THR A 48 10.718 6.029 -10.884 1.00 0.00 H new ATOM 0 HB THR A 48 8.228 5.637 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.028 3.566 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.974 5.379 -13.980 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.010 6.519 -13.089 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.579 4.863 -13.409 1.00 0.00 H new ATOM 796 N PRO A 49 9.687 6.363 -8.634 1.00 0.00 N ATOM 797 CA PRO A 49 9.072 6.636 -7.322 1.00 0.00 C ATOM 798 C PRO A 49 7.551 6.765 -7.394 1.00 0.00 C ATOM 799 O PRO A 49 6.843 6.368 -6.467 1.00 0.00 O ATOM 800 CB PRO A 49 9.696 7.973 -6.905 1.00 0.00 C ATOM 801 CG PRO A 49 10.949 8.079 -7.703 1.00 0.00 C ATOM 802 CD PRO A 49 10.662 7.400 -9.006 1.00 0.00 C ATOM 0 HA PRO A 49 9.253 5.822 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.023 8.805 -7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.906 7.994 -5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.227 9.122 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.782 7.601 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.252 8.094 -9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.563 6.968 -9.443 1.00 0.00 H new ATOM 810 N GLU A 50 7.062 7.327 -8.497 1.00 0.00 N ATOM 811 CA GLU A 50 5.628 7.505 -8.701 1.00 0.00 C ATOM 812 C GLU A 50 4.929 6.157 -8.840 1.00 0.00 C ATOM 813 O GLU A 50 3.848 5.950 -8.289 1.00 0.00 O ATOM 814 CB GLU A 50 5.374 8.353 -9.951 1.00 0.00 C ATOM 815 CG GLU A 50 5.680 9.831 -9.762 1.00 0.00 C ATOM 816 CD GLU A 50 4.575 10.574 -9.034 1.00 0.00 C ATOM 817 OE1 GLU A 50 3.638 11.051 -9.710 1.00 0.00 O ATOM 818 OE2 GLU A 50 4.646 10.678 -7.793 1.00 0.00 O ATOM 0 H GLU A 50 7.640 7.668 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 50 5.221 8.019 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.981 7.967 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.331 8.242 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.610 9.936 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.840 10.292 -10.737 1.00 0.00 H new ATOM 825 N GLU A 51 5.562 5.238 -9.569 1.00 0.00 N ATOM 826 CA GLU A 51 5.001 3.909 -9.785 1.00 0.00 C ATOM 827 C GLU A 51 5.098 3.056 -8.521 1.00 0.00 C ATOM 828 O GLU A 51 4.240 2.212 -8.282 1.00 0.00 O ATOM 829 CB GLU A 51 5.710 3.208 -10.947 1.00 0.00 C ATOM 830 CG GLU A 51 4.855 2.154 -11.633 1.00 0.00 C ATOM 831 CD GLU A 51 3.770 2.762 -12.503 1.00 0.00 C ATOM 832 OE1 GLU A 51 4.046 3.041 -13.687 1.00 0.00 O ATOM 833 OE2 GLU A 51 2.645 2.964 -11.997 1.00 0.00 O ATOM 0 H GLU A 51 6.464 5.392 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 51 3.947 4.030 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.011 3.955 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.622 2.740 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.492 1.516 -12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.396 1.516 -10.878 1.00 0.00 H new ATOM 840 N GLN A 52 6.150 3.272 -7.726 1.00 0.00 N ATOM 841 CA GLN A 52 6.341 2.526 -6.480 1.00 0.00 C ATOM 842 C GLN A 52 5.177 2.757 -5.519 1.00 0.00 C ATOM 843 O GLN A 52 4.598 1.807 -4.992 1.00 0.00 O ATOM 844 CB GLN A 52 7.656 2.933 -5.812 1.00 0.00 C ATOM 845 CG GLN A 52 8.886 2.567 -6.627 1.00 0.00 C ATOM 846 CD GLN A 52 9.930 1.822 -5.824 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.579 2.390 -4.949 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.099 0.540 -6.124 1.00 0.00 N ATOM 0 H GLN A 52 6.881 3.956 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 52 6.379 1.465 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.650 4.009 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.722 2.455 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.583 1.954 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.329 3.476 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.537 0.110 -6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.791 -0.015 -5.620 1.00 0.00 H new ATOM 857 N ALA A 53 4.838 4.028 -5.305 1.00 0.00 N ATOM 858 CA ALA A 53 3.738 4.395 -4.418 1.00 0.00 C ATOM 859 C ALA A 53 2.408 3.893 -4.965 1.00 0.00 C ATOM 860 O ALA A 53 1.556 3.425 -4.209 1.00 0.00 O ATOM 861 CB ALA A 53 3.695 5.902 -4.217 1.00 0.00 C ATOM 0 H ALA A 53 5.312 4.822 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 53 3.909 3.920 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.869 6.157 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.633 6.237 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.552 6.393 -5.179 1.00 0.00 H new ATOM 867 N LYS A 54 2.244 3.985 -6.287 1.00 0.00 N ATOM 868 CA LYS A 54 1.026 3.531 -6.953 1.00 0.00 C ATOM 869 C LYS A 54 0.888 2.016 -6.849 1.00 0.00 C ATOM 870 O LYS A 54 -0.219 1.487 -6.782 1.00 0.00 O ATOM 871 CB LYS A 54 1.042 3.958 -8.421 1.00 0.00 C ATOM 872 CG LYS A 54 0.693 5.423 -8.620 1.00 0.00 C ATOM 873 CD LYS A 54 0.739 5.824 -10.085 1.00 0.00 C ATOM 874 CE LYS A 54 0.500 7.316 -10.257 1.00 0.00 C ATOM 875 NZ LYS A 54 0.526 7.725 -11.689 1.00 0.00 N ATOM 0 H LYS A 54 2.945 4.372 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 54 0.170 3.989 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.031 3.766 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.336 3.343 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.303 5.616 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.388 6.042 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.708 5.558 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.015 5.266 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.464 7.581 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.261 7.871 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.359 8.749 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.454 7.496 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.217 7.216 -12.209 1.00 0.00 H new ATOM 889 N LYS A 55 2.030 1.331 -6.822 1.00 0.00 N ATOM 890 CA LYS A 55 2.064 -0.122 -6.709 1.00 0.00 C ATOM 891 C LYS A 55 1.652 -0.558 -5.312 1.00 0.00 C ATOM 892 O LYS A 55 1.138 -1.653 -5.131 1.00 0.00 O ATOM 893 CB LYS A 55 3.461 -0.656 -7.027 1.00 0.00 C ATOM 894 CG LYS A 55 3.673 -0.962 -8.499 1.00 0.00 C ATOM 895 CD LYS A 55 3.120 -2.329 -8.870 1.00 0.00 C ATOM 896 CE LYS A 55 3.214 -2.575 -10.365 1.00 0.00 C ATOM 897 NZ LYS A 55 4.619 -2.785 -10.803 1.00 0.00 N ATOM 0 H LYS A 55 2.951 1.766 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 55 1.358 -0.533 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.203 0.076 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.635 -1.562 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.188 -0.196 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.738 -0.924 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.671 -3.104 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.080 -2.401 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.617 -3.448 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.789 -1.726 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.631 -3.375 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.059 -1.866 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.151 -3.262 -10.047 1.00 0.00 H new ATOM 911 N LEU A 56 1.884 0.309 -4.332 1.00 0.00 N ATOM 912 CA LEU A 56 1.531 0.014 -2.948 1.00 0.00 C ATOM 913 C LEU A 56 0.030 0.109 -2.737 1.00 0.00 C ATOM 914 O LEU A 56 -0.575 -0.767 -2.119 1.00 0.00 O ATOM 915 CB LEU A 56 2.240 0.963 -1.992 1.00 0.00 C ATOM 916 CG LEU A 56 2.262 0.501 -0.535 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.429 -0.439 -0.298 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.331 1.692 0.408 1.00 0.00 C ATOM 0 H LEU A 56 2.315 1.223 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 56 1.853 -1.006 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.267 1.099 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.755 1.938 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 56 1.337 -0.038 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.432 -0.760 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.332 -1.310 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.363 0.077 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.346 1.339 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.237 2.263 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.460 2.328 0.255 1.00 0.00 H new ATOM 930 N ILE A 57 -0.563 1.189 -3.242 1.00 0.00 N ATOM 931 CA ILE A 57 -2.000 1.394 -3.123 1.00 0.00 C ATOM 932 C ILE A 57 -2.745 0.326 -3.918 1.00 0.00 C ATOM 933 O ILE A 57 -3.819 -0.127 -3.525 1.00 0.00 O ATOM 934 CB ILE A 57 -2.415 2.798 -3.616 1.00 0.00 C ATOM 935 CG1 ILE A 57 -1.591 3.879 -2.912 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.900 3.034 -3.380 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.260 5.059 -3.800 1.00 0.00 C ATOM 0 H ILE A 57 -0.070 1.933 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.263 1.316 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.221 2.853 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.141 4.233 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.664 3.438 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.171 4.028 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.478 2.286 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.116 2.957 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.675 5.786 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.683 4.717 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.183 5.525 -4.145 1.00 0.00 H new ATOM 949 N ASP A 58 -2.144 -0.086 -5.031 1.00 0.00 N ATOM 950 CA ASP A 58 -2.721 -1.111 -5.890 1.00 0.00 C ATOM 951 C ASP A 58 -2.476 -2.498 -5.305 1.00 0.00 C ATOM 952 O ASP A 58 -3.150 -3.458 -5.658 1.00 0.00 O ATOM 953 CB ASP A 58 -2.124 -1.014 -7.294 1.00 0.00 C ATOM 954 CG ASP A 58 -2.972 -0.169 -8.223 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.853 1.073 -8.171 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.757 -0.746 -9.002 1.00 0.00 O ATOM 0 H ASP A 58 -1.250 0.279 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.797 -0.949 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.123 -0.588 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.019 -2.015 -7.712 1.00 0.00 H new ATOM 961 N PHE A 59 -1.504 -2.591 -4.399 1.00 0.00 N ATOM 962 CA PHE A 59 -1.169 -3.853 -3.751 1.00 0.00 C ATOM 963 C PHE A 59 -2.195 -4.206 -2.675 1.00 0.00 C ATOM 964 O PHE A 59 -2.497 -5.377 -2.455 1.00 0.00 O ATOM 965 CB PHE A 59 0.221 -3.768 -3.118 1.00 0.00 C ATOM 966 CG PHE A 59 1.197 -4.792 -3.619 1.00 0.00 C ATOM 967 CD1 PHE A 59 1.973 -4.544 -4.740 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.350 -5.997 -2.958 1.00 0.00 C ATOM 969 CE1 PHE A 59 2.883 -5.478 -5.191 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.255 -6.937 -3.404 1.00 0.00 C ATOM 971 CZ PHE A 59 3.022 -6.678 -4.521 1.00 0.00 C ATOM 0 H PHE A 59 -0.933 -1.801 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.177 -4.633 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.630 -2.774 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.122 -3.877 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.864 -3.608 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.753 -6.204 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.484 -5.272 -6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.363 -7.875 -2.879 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.731 -7.413 -4.872 1.00 0.00 H new ATOM 981 N ILE A 60 -2.730 -3.187 -2.009 1.00 0.00 N ATOM 982 CA ILE A 60 -3.706 -3.398 -0.944 1.00 0.00 C ATOM 983 C ILE A 60 -5.152 -3.288 -1.433 1.00 0.00 C ATOM 984 O ILE A 60 -6.058 -3.852 -0.822 1.00 0.00 O ATOM 985 CB ILE A 60 -3.500 -2.397 0.222 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.334 -0.966 -0.301 1.00 0.00 C ATOM 987 CG2 ILE A 60 -2.294 -2.789 1.061 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.582 -0.123 -0.166 1.00 0.00 C ATOM 0 H ILE A 60 -2.505 -2.208 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.537 -4.416 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.391 -2.432 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.519 -0.483 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.043 -1.003 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.168 -2.073 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.448 -3.785 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.401 -2.790 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.390 0.876 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.394 -0.583 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.863 -0.054 0.885 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.371 -2.578 -2.537 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.724 -2.386 -3.053 1.00 0.00 C ATOM 1002 C LEU A 61 -7.137 -3.473 -4.044 1.00 0.00 C ATOM 1003 O LEU A 61 -8.303 -3.550 -4.430 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.861 -1.010 -3.706 1.00 0.00 C ATOM 1005 CG LEU A 61 -8.237 -0.361 -3.554 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.397 0.230 -2.164 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.443 0.707 -4.616 1.00 0.00 C ATOM 0 H LEU A 61 -4.638 -2.130 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.395 -2.453 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.112 -0.344 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.635 -1.103 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.997 -1.130 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.382 0.688 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.294 -0.559 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.629 0.986 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.428 1.158 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.677 1.475 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.373 0.255 -5.605 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.194 -4.316 -4.452 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.500 -5.377 -5.408 1.00 0.00 C ATOM 1021 C LYS A 62 -6.742 -6.714 -4.719 1.00 0.00 C ATOM 1022 O LYS A 62 -7.226 -7.658 -5.343 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.370 -5.520 -6.419 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.475 -4.543 -7.573 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.321 -4.715 -8.541 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.371 -3.680 -9.649 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.191 -3.775 -10.548 1.00 0.00 N ATOM 0 H LYS A 62 -5.223 -4.288 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.419 -5.093 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.416 -5.372 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.368 -6.537 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.419 -4.694 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.483 -3.523 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.377 -4.630 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.352 -5.715 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.283 -3.815 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.416 -2.682 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.262 -3.052 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.322 -3.622 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.162 -4.719 -10.985 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.411 -6.795 -3.438 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.595 -8.029 -2.692 1.00 0.00 C ATOM 1043 C LEU A 63 -7.870 -7.983 -1.858 1.00 0.00 C ATOM 1044 O LEU A 63 -8.542 -6.953 -1.787 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.383 -8.299 -1.806 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.138 -8.770 -2.560 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -2.880 -8.397 -1.796 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.193 -10.270 -2.801 1.00 0.00 C ATOM 0 H LEU A 63 -6.016 -6.025 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.693 -8.846 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.138 -7.388 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.651 -9.053 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.113 -8.269 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.004 -8.740 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.833 -7.314 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.898 -8.869 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.299 -10.585 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.244 -10.791 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.076 -10.511 -3.393 1.00 0.00 H new ATOM 1060 N SER A 64 -8.189 -9.105 -1.227 1.00 0.00 N ATOM 1061 CA SER A 64 -9.388 -9.219 -0.409 1.00 0.00 C ATOM 1062 C SER A 64 -9.216 -8.527 0.949 1.00 0.00 C ATOM 1063 O SER A 64 -8.096 -8.256 1.381 1.00 0.00 O ATOM 1064 CB SER A 64 -9.732 -10.699 -0.213 1.00 0.00 C ATOM 1065 OG SER A 64 -8.623 -11.420 0.292 1.00 0.00 O ATOM 0 H SER A 64 -7.628 -9.956 -1.267 1.00 0.00 H new ATOM 0 HA SER A 64 -10.205 -8.717 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.573 -10.792 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.048 -11.131 -1.163 1.00 0.00 H new ATOM 0 HG SER A 64 -8.870 -12.361 0.409 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.341 -8.218 1.627 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.330 -7.563 2.947 1.00 0.00 C ATOM 1073 C PRO A 65 -9.568 -8.361 4.012 1.00 0.00 C ATOM 1074 O PRO A 65 -9.054 -7.790 4.973 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.815 -7.470 3.312 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.541 -7.565 2.015 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.714 -8.461 1.148 1.00 0.00 C ATOM 0 HA PRO A 65 -9.819 -6.601 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.106 -8.275 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.038 -6.532 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.542 -7.973 2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.659 -6.581 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.001 -9.507 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.822 -8.212 0.092 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.515 -9.683 3.849 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.810 -10.546 4.793 1.00 0.00 C ATOM 1087 C ALA A 66 -7.295 -10.437 4.620 1.00 0.00 C ATOM 1088 O ALA A 66 -6.533 -10.695 5.552 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.264 -11.987 4.617 1.00 0.00 C ATOM 0 H ALA A 66 -9.952 -10.178 3.072 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.052 -10.217 5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.734 -12.625 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.336 -12.056 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.048 -12.315 3.600 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.872 -10.043 3.420 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.453 -9.893 3.105 1.00 0.00 C ATOM 1097 C ASP A 67 -4.870 -8.625 3.729 1.00 0.00 C ATOM 1098 O ASP A 67 -3.761 -8.642 4.266 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.257 -9.861 1.587 1.00 0.00 C ATOM 1100 CG ASP A 67 -3.909 -10.408 1.161 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -2.927 -9.640 1.183 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -3.837 -11.602 0.804 1.00 0.00 O ATOM 0 H ASP A 67 -7.497 -9.821 2.645 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.925 -10.749 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.047 -10.441 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.357 -8.835 1.233 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.626 -7.528 3.669 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.172 -6.250 4.220 1.00 0.00 C ATOM 1109 C VAL A 68 -5.164 -6.262 5.747 1.00 0.00 C ATOM 1110 O VAL A 68 -4.356 -5.572 6.364 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.008 -5.046 3.722 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.582 -4.640 2.321 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.501 -5.341 3.762 1.00 0.00 C ATOM 0 H VAL A 68 -6.553 -7.498 3.245 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.152 -6.126 3.856 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.819 -4.214 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.182 -3.792 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.529 -4.359 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.729 -5.477 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.053 -4.472 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.720 -6.197 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.800 -5.566 4.786 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.079 -7.033 6.344 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.203 -7.132 7.806 1.00 0.00 C ATOM 1125 C GLN A 69 -4.859 -7.410 8.489 1.00 0.00 C ATOM 1126 O GLN A 69 -4.573 -6.854 9.549 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.207 -8.226 8.179 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.946 -7.957 9.481 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.086 -6.974 9.308 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.195 -7.353 8.938 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.816 -5.702 9.571 1.00 0.00 N ATOM 0 H GLN A 69 -6.752 -7.604 5.833 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.559 -6.165 8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.934 -8.330 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.681 -9.178 8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.336 -8.896 9.874 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.245 -7.569 10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.881 -5.432 9.876 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.544 -4.994 9.468 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.041 -8.261 7.871 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.734 -8.619 8.418 1.00 0.00 C ATOM 1142 C ALA A 70 -1.755 -7.445 8.345 1.00 0.00 C ATOM 1143 O ALA A 70 -0.904 -7.281 9.220 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.178 -9.827 7.677 1.00 0.00 C ATOM 0 H ALA A 70 -4.263 -8.717 6.986 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.862 -8.872 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.204 -10.090 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.860 -10.670 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.072 -9.588 6.619 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.892 -6.629 7.298 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.027 -5.465 7.098 1.00 0.00 C ATOM 1152 C ARG A 71 -1.372 -4.344 8.072 1.00 0.00 C ATOM 1153 O ARG A 71 -0.491 -3.624 8.532 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.167 -4.937 5.674 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.595 -5.857 4.609 1.00 0.00 C ATOM 1156 CD ARG A 71 -1.023 -5.409 3.222 1.00 0.00 C ATOM 1157 NE ARG A 71 -0.178 -5.968 2.171 1.00 0.00 N ATOM 1158 CZ ARG A 71 -0.622 -6.292 0.958 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -1.896 -6.113 0.638 1.00 0.00 N ATOM 1160 NH2 ARG A 71 0.212 -6.796 0.063 1.00 0.00 N ATOM 0 H ARG A 71 -2.598 -6.754 6.572 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.001 -5.788 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.223 -4.768 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.670 -3.969 5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.493 -5.864 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.931 -6.879 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.057 -5.707 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.992 -4.321 3.169 1.00 0.00 H new ATOM 0 HE ARG A 71 0.809 -6.119 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.544 -5.724 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.228 -6.364 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.194 -6.936 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.127 -7.045 -0.866 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.662 -4.192 8.366 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.122 -3.157 9.289 1.00 0.00 C ATOM 1176 C ILE A 72 -2.626 -3.455 10.706 1.00 0.00 C ATOM 1177 O ILE A 72 -2.417 -2.542 11.509 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.669 -3.034 9.275 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.162 -2.676 7.873 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.155 -1.989 10.275 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.417 -3.415 7.461 1.00 0.00 C ATOM 0 H ILE A 72 -3.406 -4.772 7.979 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.708 -2.204 8.959 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.079 -4.001 9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.351 -1.604 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.372 -2.891 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.243 -1.929 10.239 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.840 -2.273 11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.729 -1.018 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.706 -3.109 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.228 -4.488 7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.222 -3.181 8.157 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.420 -4.741 10.995 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.939 -5.173 12.306 1.00 0.00 C ATOM 1195 C ASN A 73 -0.482 -4.767 12.528 1.00 0.00 C ATOM 1196 O ASN A 73 -0.140 -4.227 13.581 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.068 -6.691 12.450 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.505 -7.150 12.608 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.341 -6.437 13.161 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.798 -8.349 12.121 1.00 0.00 N ATOM 0 H ASN A 73 -2.580 -5.503 10.336 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.556 -4.680 13.058 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.633 -7.172 11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.490 -7.019 13.314 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.748 -8.712 12.198 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.073 -8.907 11.670 1.00 0.00 H new ATOM 1207 N VAL A 74 0.375 -5.032 11.540 1.00 0.00 N ATOM 1208 CA VAL A 74 1.793 -4.691 11.655 1.00 0.00 C ATOM 1209 C VAL A 74 2.017 -3.190 11.501 1.00 0.00 C ATOM 1210 O VAL A 74 2.857 -2.613 12.186 1.00 0.00 O ATOM 1211 CB VAL A 74 2.675 -5.449 10.635 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.900 -6.886 11.078 1.00 0.00 C ATOM 1213 CG2 VAL A 74 2.070 -5.409 9.242 1.00 0.00 C ATOM 0 H VAL A 74 0.115 -5.477 10.660 1.00 0.00 H new ATOM 0 HA VAL A 74 2.094 -5.002 12.655 1.00 0.00 H new ATOM 0 HB VAL A 74 3.640 -4.944 10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.523 -7.399 10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.398 -6.894 12.047 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.940 -7.396 11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.715 -5.951 8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.084 -5.874 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.976 -4.373 8.916 1.00 0.00 H new ATOM 1223 N LEU A 75 1.255 -2.562 10.606 1.00 0.00 N ATOM 1224 CA LEU A 75 1.369 -1.125 10.358 1.00 0.00 C ATOM 1225 C LEU A 75 1.081 -0.321 11.622 1.00 0.00 C ATOM 1226 O LEU A 75 1.768 0.656 11.915 1.00 0.00 O ATOM 1227 CB LEU A 75 0.400 -0.710 9.249 1.00 0.00 C ATOM 1228 CG LEU A 75 0.947 0.311 8.253 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.069 -0.298 7.431 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.160 0.820 7.346 1.00 0.00 C ATOM 0 H LEU A 75 0.548 -3.029 10.038 1.00 0.00 H new ATOM 0 HA LEU A 75 2.393 -0.916 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.098 -1.602 8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.499 -0.299 9.709 1.00 0.00 H new ATOM 0 HG LEU A 75 1.347 1.156 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.447 0.443 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.875 -0.614 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.691 -1.161 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.250 1.546 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.591 -0.015 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.934 1.295 7.948 1.00 0.00 H new ATOM 1242 N ARG A 76 0.077 -0.758 12.371 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.329 -0.090 13.597 1.00 0.00 C ATOM 1244 C ARG A 76 0.734 -0.183 14.697 1.00 0.00 C ATOM 1245 O ARG A 76 0.974 0.786 15.416 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.639 -0.707 14.087 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.587 0.295 14.714 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.487 0.939 13.673 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.425 1.884 14.271 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.405 2.481 13.596 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.571 2.230 12.303 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.217 3.329 14.211 1.00 0.00 N ATOM 0 H ARG A 76 -0.477 -1.584 12.145 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.462 0.969 13.373 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.139 -1.191 13.248 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.413 -1.486 14.816 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.198 -0.203 15.467 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.014 1.067 15.228 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.875 1.455 12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.041 0.164 13.143 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.324 2.099 15.263 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.947 1.579 11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.322 2.688 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.092 3.526 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.967 3.785 13.691 1.00 0.00 H new ATOM 1266 N ALA A 77 1.373 -1.343 14.818 1.00 0.00 N ATOM 1267 CA ALA A 77 2.375 -1.559 15.860 1.00 0.00 C ATOM 1268 C ALA A 77 3.786 -1.117 15.457 1.00 0.00 C ATOM 1269 O ALA A 77 4.626 -0.874 16.323 1.00 0.00 O ATOM 1270 CB ALA A 77 2.383 -3.022 16.271 1.00 0.00 C ATOM 0 H ALA A 77 1.216 -2.147 14.210 1.00 0.00 H new ATOM 0 HA ALA A 77 2.088 -0.930 16.703 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.132 -3.178 17.048 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.400 -3.298 16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.623 -3.641 15.407 1.00 0.00 H new ATOM 1276 N HIS A 78 4.050 -1.003 14.157 1.00 0.00 N ATOM 1277 CA HIS A 78 5.383 -0.612 13.686 1.00 0.00 C ATOM 1278 C HIS A 78 5.572 0.906 13.651 1.00 0.00 C ATOM 1279 O HIS A 78 6.658 1.389 13.325 1.00 0.00 O ATOM 1280 CB HIS A 78 5.666 -1.216 12.305 1.00 0.00 C ATOM 1281 CG HIS A 78 6.255 -2.594 12.380 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.613 -2.836 12.398 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.660 -3.809 12.469 1.00 0.00 C ATOM 1284 CE1 HIS A 78 7.827 -4.138 12.498 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.658 -4.748 12.542 1.00 0.00 N ATOM 0 H HIS A 78 3.370 -1.173 13.416 1.00 0.00 H new ATOM 0 HA HIS A 78 6.100 -1.008 14.405 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.739 -1.253 11.733 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.349 -0.563 11.762 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.597 -4.002 12.480 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.793 -4.619 12.537 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.518 -5.756 12.618 1.00 0.00 H new ATOM 1294 N GLY A 79 4.526 1.656 13.987 1.00 0.00 N ATOM 1295 CA GLY A 79 4.632 3.108 14.004 1.00 0.00 C ATOM 1296 C GLY A 79 4.022 3.776 12.785 1.00 0.00 C ATOM 1297 O GLY A 79 3.995 5.004 12.699 1.00 0.00 O ATOM 0 H GLY A 79 3.611 1.288 14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.142 3.489 14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.684 3.386 14.072 1.00 0.00 H new ATOM 1301 N TYR A 80 3.528 2.976 11.847 1.00 0.00 N ATOM 1302 CA TYR A 80 2.914 3.504 10.629 1.00 0.00 C ATOM 1303 C TYR A 80 1.396 3.583 10.796 1.00 0.00 C ATOM 1304 O TYR A 80 0.629 3.118 9.953 1.00 0.00 O ATOM 1305 CB TYR A 80 3.289 2.626 9.430 1.00 0.00 C ATOM 1306 CG TYR A 80 4.766 2.660 9.095 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.668 1.846 9.770 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.257 3.506 8.107 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.015 1.877 9.472 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.605 3.541 7.803 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.479 2.724 8.490 1.00 0.00 C ATOM 1312 OH TYR A 80 8.821 2.751 8.195 1.00 0.00 O ATOM 0 H TYR A 80 3.540 1.958 11.905 1.00 0.00 H new ATOM 0 HA TYR A 80 3.289 4.511 10.447 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.995 1.597 9.637 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.719 2.951 8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.309 1.179 10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.574 4.146 7.568 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.703 1.239 10.007 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.972 4.203 7.033 1.00 0.00 H new ATOM 0 HH TYR A 80 9.059 3.631 7.836 1.00 0.00 H new ATOM 1322 N GLN A 81 0.986 4.193 11.905 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.427 4.350 12.258 1.00 0.00 C ATOM 1324 C GLN A 81 -1.152 5.334 11.342 1.00 0.00 C ATOM 1325 O GLN A 81 -2.307 5.106 10.981 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.549 4.815 13.709 1.00 0.00 C ATOM 1327 CG GLN A 81 -0.185 3.745 14.724 1.00 0.00 C ATOM 1328 CD GLN A 81 -0.279 4.243 16.152 1.00 0.00 C ATOM 1329 OE1 GLN A 81 0.697 4.740 16.713 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -1.458 4.113 16.747 1.00 0.00 N ATOM 0 H GLN A 81 1.626 4.595 12.589 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.901 3.377 12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.096 5.681 13.860 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.572 5.144 13.891 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.847 2.888 14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.829 3.395 14.531 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.240 3.695 16.243 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.582 4.431 17.708 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.478 6.430 10.981 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.065 7.443 10.101 1.00 0.00 C ATOM 1341 C ALA A 82 -1.436 6.834 8.753 1.00 0.00 C ATOM 1342 O ALA A 82 -2.436 7.207 8.138 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.094 8.602 9.914 1.00 0.00 C ATOM 0 H ALA A 82 0.473 6.638 11.285 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.975 7.821 10.566 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.541 9.349 9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.125 9.053 10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.830 8.234 9.468 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.610 5.893 8.311 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.821 5.193 7.054 1.00 0.00 C ATOM 1351 C LEU A 83 -1.966 4.190 7.178 1.00 0.00 C ATOM 1352 O LEU A 83 -2.767 4.026 6.257 1.00 0.00 O ATOM 1353 CB LEU A 83 0.466 4.465 6.657 1.00 0.00 C ATOM 1354 CG LEU A 83 1.520 5.330 5.963 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.334 6.114 6.982 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.435 4.468 5.112 1.00 0.00 C ATOM 0 H LEU A 83 0.225 5.595 8.816 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.085 5.921 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.909 4.031 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.207 3.638 5.996 1.00 0.00 H new ATOM 0 HG LEU A 83 1.004 6.040 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.077 6.721 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.672 6.762 7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.838 5.421 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.179 5.098 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.937 3.736 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.846 3.950 4.355 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.041 3.541 8.343 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.062 2.530 8.615 1.00 0.00 C ATOM 1370 C ALA A 84 -4.458 3.135 8.745 1.00 0.00 C ATOM 1371 O ALA A 84 -5.455 2.434 8.593 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.702 1.754 9.877 1.00 0.00 C ATOM 0 H ALA A 84 -1.399 3.701 9.119 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.086 1.851 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.467 1.003 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.738 1.263 9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.643 2.440 10.722 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.524 4.434 9.025 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.804 5.121 9.174 1.00 0.00 C ATOM 1380 C ASP A 85 -6.380 5.533 7.820 1.00 0.00 C ATOM 1381 O ASP A 85 -7.596 5.644 7.665 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.639 6.352 10.065 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.901 6.675 10.841 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.120 6.051 11.900 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.668 7.552 10.390 1.00 0.00 O ATOM 0 H ASP A 85 -3.707 5.031 9.153 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.502 4.426 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.819 6.185 10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.364 7.209 9.450 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.504 5.749 6.843 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.930 6.165 5.510 1.00 0.00 C ATOM 1392 C LYS A 86 -6.476 4.995 4.690 1.00 0.00 C ATOM 1393 O LYS A 86 -7.525 5.117 4.058 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.772 6.835 4.766 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.468 8.241 5.262 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.325 8.877 4.486 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.014 10.277 4.994 1.00 0.00 C ATOM 1398 NZ LYS A 86 -1.903 10.913 4.233 1.00 0.00 N ATOM 0 H LYS A 86 -4.495 5.643 6.949 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.740 6.883 5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.878 6.220 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.008 6.876 3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.360 8.860 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.213 8.206 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.435 8.253 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.583 8.922 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.907 10.897 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.749 10.229 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.724 11.865 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.043 10.336 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.165 10.983 3.229 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.769 3.863 4.699 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.200 2.693 3.934 1.00 0.00 C ATOM 1414 C LEU A 87 -7.403 1.995 4.574 1.00 0.00 C ATOM 1415 O LEU A 87 -8.263 1.476 3.865 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.044 1.697 3.750 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.240 1.363 5.011 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.749 0.081 5.647 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.763 1.233 4.677 1.00 0.00 C ATOM 0 H LEU A 87 -4.903 3.733 5.223 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.511 3.056 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.450 0.770 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.360 2.098 3.002 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.368 2.177 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.165 -0.139 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.798 0.201 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.650 -0.741 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.205 0.996 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.624 0.437 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.400 2.173 4.263 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.462 1.983 5.907 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.563 1.335 6.621 1.00 0.00 C ATOM 1433 C ASN A 88 -9.874 2.094 6.442 1.00 0.00 C ATOM 1434 O ASN A 88 -10.935 1.488 6.302 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.239 1.217 8.112 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.969 0.063 8.773 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.070 0.226 9.299 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.357 -1.111 8.750 1.00 0.00 N ATOM 0 H ASN A 88 -6.763 2.413 6.512 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.684 0.339 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.165 1.084 8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.506 2.147 8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.798 -1.924 9.179 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.445 -1.202 8.303 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.791 3.421 6.437 1.00 0.00 N ATOM 1446 CA LYS A 89 -10.973 4.259 6.290 1.00 0.00 C ATOM 1447 C LYS A 89 -11.501 4.234 4.860 1.00 0.00 C ATOM 1448 O LYS A 89 -12.711 4.221 4.640 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.659 5.694 6.708 1.00 0.00 C ATOM 1450 CG LYS A 89 -11.835 6.412 7.345 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.455 7.810 7.798 1.00 0.00 C ATOM 1452 CE LYS A 89 -12.652 8.546 8.371 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.294 9.918 8.825 1.00 0.00 N ATOM 0 H LYS A 89 -8.917 3.938 6.533 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.749 3.857 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.826 5.685 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.332 6.255 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.657 6.471 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.195 5.837 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.668 7.750 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.049 8.370 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.436 8.606 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.059 7.981 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.138 10.388 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.564 9.860 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.930 10.466 8.020 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.588 4.231 3.890 1.00 0.00 N ATOM 1468 CA TYR A 90 -10.964 4.193 2.479 1.00 0.00 C ATOM 1469 C TYR A 90 -11.570 2.837 2.130 1.00 0.00 C ATOM 1470 O TYR A 90 -12.385 2.718 1.216 1.00 0.00 O ATOM 1471 CB TYR A 90 -9.737 4.455 1.604 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.069 5.000 0.234 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.259 6.361 0.035 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.191 4.152 -0.857 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.559 6.862 -1.218 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -10.491 4.645 -2.112 1.00 0.00 C ATOM 1477 CZ TYR A 90 -10.676 6.001 -2.287 1.00 0.00 C ATOM 1478 OH TYR A 90 -10.973 6.497 -3.534 1.00 0.00 O ATOM 0 H TYR A 90 -9.582 4.254 4.056 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.707 4.969 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.081 5.159 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.179 3.526 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.171 7.038 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.049 3.090 -0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.701 7.923 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.580 3.972 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.019 5.759 -4.177 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.162 1.825 2.883 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.633 0.462 2.686 1.00 0.00 C ATOM 1490 C LEU A 91 -13.083 0.298 3.145 1.00 0.00 C ATOM 1491 O LEU A 91 -13.869 -0.400 2.505 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.720 -0.490 3.455 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.190 -1.937 3.537 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.491 -2.780 2.482 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.928 -2.482 4.931 1.00 0.00 C ATOM 0 H LEU A 91 -10.495 1.926 3.648 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.603 0.229 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.735 -0.474 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.600 -0.109 4.469 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.262 -1.979 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.837 -3.811 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.721 -2.387 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.414 -2.747 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.265 -3.517 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.860 -2.436 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.470 -1.884 5.663 1.00 0.00 H new ATOM 1507 N THR A 92 -13.429 0.945 4.256 1.00 0.00 N ATOM 1508 CA THR A 92 -14.783 0.871 4.800 1.00 0.00 C ATOM 1509 C THR A 92 -15.608 2.099 4.411 1.00 0.00 C ATOM 1510 O THR A 92 -16.668 2.352 4.987 1.00 0.00 O ATOM 1511 CB THR A 92 -14.775 0.727 6.335 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.603 0.020 6.760 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.018 -0.014 6.811 1.00 0.00 C ATOM 0 H THR A 92 -12.790 1.527 4.797 1.00 0.00 H new ATOM 0 HA THR A 92 -15.242 -0.018 4.368 1.00 0.00 H new ATOM 0 HB THR A 92 -14.771 1.726 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.818 0.599 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.994 -0.105 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.908 0.540 6.513 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.043 -1.008 6.364 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.106 2.867 3.441 1.00 0.00 N ATOM 1522 CA LEU A 93 -15.788 4.072 2.968 1.00 0.00 C ATOM 1523 C LEU A 93 -17.232 3.776 2.564 1.00 0.00 C ATOM 1524 O LEU A 93 -18.132 4.575 2.823 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.034 4.682 1.785 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.280 6.174 1.563 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.355 7.004 2.438 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.093 6.531 0.097 1.00 0.00 C ATOM 0 H LEU A 93 -14.224 2.673 2.966 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.804 4.785 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.966 4.523 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.313 4.144 0.879 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.309 6.399 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.545 8.063 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.537 6.768 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.318 6.776 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.272 7.597 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.075 6.290 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.798 5.962 -0.509 1.00 0.00 H new