USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot -100:sc= 0.09 USER MOD Single : A 16 CYS SG : rot 81:sc= 0.644 USER MOD Single : A 17 GLN : amide:sc= 0.359 K(o=0.36,f=-1.7) USER MOD Single : A 19 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.5) USER MOD Single : A 20 THR OG1 : rot -0:sc= -0.423 USER MOD Single : A 23 TYR OH : rot 30:sc= -1.72 USER MOD Single : A 27 HIS : no HD1:sc= -0.0855 X(o=-0.086,f=-0.011) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 49:sc= -3.14! USER MOD Single : A 46 TYR OH : rot 70:sc= -0.134 USER MOD Single : A 49 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.24) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.97) USER MOD Single : A 67 THR OG1 : rot -130:sc= -1.06 USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0956 (180deg=-0.479) USER MOD Single : A 76 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.69) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.691 K(o=-0.69,f=-0.048) USER MOD Single : A 93 SER OG : rot 180:sc= -0.131 USER MOD Single : A 101 TYR OH : rot 180:sc= -1.76! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.09) USER MOD Single : A 106 HIS : no HD1:sc= -11.5! C(o=-12!,f=-10!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.404 -14.051 -3.058 1.00 0.00 N ATOM 113 CA GLU A 11 -0.043 -13.671 -3.421 1.00 0.00 C ATOM 114 C GLU A 11 0.135 -12.157 -3.352 1.00 0.00 C ATOM 115 O GLU A 11 1.249 -11.646 -3.480 1.00 0.00 O ATOM 116 CB GLU A 11 0.291 -14.171 -4.828 1.00 0.00 C ATOM 117 CG GLU A 11 -0.649 -13.646 -5.900 1.00 0.00 C ATOM 118 CD GLU A 11 -1.858 -14.538 -6.104 1.00 0.00 C ATOM 119 OE1 GLU A 11 -2.036 -15.485 -5.310 1.00 0.00 O ATOM 120 OE2 GLU A 11 -2.626 -14.289 -7.057 1.00 0.00 O ATOM 0 HA GLU A 11 0.639 -14.133 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.311 -13.878 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.262 -15.261 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.983 -12.645 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.106 -13.555 -6.841 1.00 0.00 H new ATOM 127 N LEU A 12 -0.967 -11.445 -3.149 1.00 0.00 N ATOM 128 CA LEU A 12 -0.934 -9.990 -3.063 1.00 0.00 C ATOM 129 C LEU A 12 -0.878 -9.532 -1.608 1.00 0.00 C ATOM 130 O LEU A 12 -0.080 -8.665 -1.249 1.00 0.00 O ATOM 131 CB LEU A 12 -2.160 -9.390 -3.752 1.00 0.00 C ATOM 132 CG LEU A 12 -2.283 -7.866 -3.696 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.154 -7.211 -4.476 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.635 -7.421 -4.236 1.00 0.00 C ATOM 0 H LEU A 12 -1.896 -11.852 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.034 -9.641 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.150 -9.695 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.053 -9.823 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.208 -7.552 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.258 -6.127 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.196 -7.505 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.197 -7.531 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.706 -6.334 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.739 -7.747 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.430 -7.863 -3.635 1.00 0.00 H new ATOM 146 N LEU A 13 -1.729 -10.120 -0.776 1.00 0.00 N ATOM 147 CA LEU A 13 -1.777 -9.774 0.641 1.00 0.00 C ATOM 148 C LEU A 13 -0.443 -10.071 1.318 1.00 0.00 C ATOM 149 O LEU A 13 0.209 -9.173 1.849 1.00 0.00 O ATOM 150 CB LEU A 13 -2.900 -10.544 1.337 1.00 0.00 C ATOM 151 CG LEU A 13 -2.805 -10.638 2.861 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.175 -9.310 3.501 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.701 -11.752 3.383 1.00 0.00 C ATOM 0 H LEU A 13 -2.396 -10.839 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.975 -8.705 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.849 -10.074 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.926 -11.555 0.931 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.775 -10.872 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.102 -9.396 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.493 -8.535 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.196 -9.046 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.621 -11.805 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.735 -11.548 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.390 -12.703 2.950 1.00 0.00 H new ATOM 165 N ARG A 14 -0.044 -11.339 1.295 1.00 0.00 N ATOM 166 CA ARG A 14 1.211 -11.755 1.907 1.00 0.00 C ATOM 167 C ARG A 14 2.347 -10.817 1.509 1.00 0.00 C ATOM 168 O ARG A 14 3.032 -10.258 2.365 1.00 0.00 O ATOM 169 CB ARG A 14 1.552 -13.190 1.498 1.00 0.00 C ATOM 170 CG ARG A 14 0.633 -14.233 2.110 1.00 0.00 C ATOM 171 CD ARG A 14 1.113 -15.644 1.810 1.00 0.00 C ATOM 172 NE ARG A 14 2.345 -15.967 2.525 1.00 0.00 N ATOM 173 CZ ARG A 14 2.384 -16.290 3.812 1.00 0.00 C ATOM 174 NH1 ARG A 14 1.266 -16.335 4.523 1.00 0.00 N ATOM 175 NH2 ARG A 14 3.545 -16.570 4.392 1.00 0.00 N ATOM 0 H ARG A 14 -0.572 -12.095 0.859 1.00 0.00 H new ATOM 0 HA ARG A 14 1.090 -11.712 2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.506 -13.270 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.579 -13.407 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.582 -14.087 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.377 -14.101 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.336 -16.357 2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.278 -15.751 0.738 1.00 0.00 H new ATOM 0 HE ARG A 14 3.223 -15.943 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.372 -16.121 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.300 -16.584 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.408 -16.537 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.574 -16.818 5.381 1.00 0.00 H new ATOM 189 N TRP A 15 2.541 -10.653 0.205 1.00 0.00 N ATOM 190 CA TRP A 15 3.595 -9.783 -0.306 1.00 0.00 C ATOM 191 C TRP A 15 3.502 -8.393 0.313 1.00 0.00 C ATOM 192 O TRP A 15 4.504 -7.834 0.759 1.00 0.00 O ATOM 193 CB TRP A 15 3.507 -9.684 -1.829 1.00 0.00 C ATOM 194 CG TRP A 15 4.537 -8.773 -2.426 1.00 0.00 C ATOM 195 CD1 TRP A 15 5.804 -9.106 -2.808 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.385 -7.377 -2.707 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.451 -8.002 -3.308 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.601 -6.928 -3.259 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.341 -6.462 -2.548 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.800 -5.607 -3.649 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.539 -5.151 -2.937 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.759 -4.733 -3.482 1.00 0.00 C ATOM 0 H TRP A 15 1.984 -11.110 -0.517 1.00 0.00 H new ATOM 0 HA TRP A 15 4.556 -10.218 -0.032 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.621 -10.680 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.514 -9.329 -2.106 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.235 -10.093 -2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.409 -7.984 -3.659 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.396 -6.774 -2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.741 -5.283 -4.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.738 -4.436 -2.819 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.882 -3.701 -3.776 1.00 0.00 H new ATOM 213 N CYS A 16 2.295 -7.841 0.337 1.00 0.00 N ATOM 214 CA CYS A 16 2.071 -6.515 0.902 1.00 0.00 C ATOM 215 C CYS A 16 2.462 -6.478 2.376 1.00 0.00 C ATOM 216 O CYS A 16 3.149 -5.561 2.822 1.00 0.00 O ATOM 217 CB CYS A 16 0.606 -6.108 0.740 1.00 0.00 C ATOM 218 SG CYS A 16 0.138 -5.696 -0.957 1.00 0.00 S ATOM 0 H CYS A 16 1.456 -8.291 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 16 2.698 -5.807 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.027 -6.922 1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.406 -5.248 1.380 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.100 -6.789 -1.619 1.00 0.00 H new ATOM 224 N GLN A 17 2.016 -7.482 3.125 1.00 0.00 N ATOM 225 CA GLN A 17 2.316 -7.562 4.550 1.00 0.00 C ATOM 226 C GLN A 17 3.796 -7.297 4.809 1.00 0.00 C ATOM 227 O GLN A 17 4.152 -6.356 5.517 1.00 0.00 O ATOM 228 CB GLN A 17 1.929 -8.937 5.097 1.00 0.00 C ATOM 229 CG GLN A 17 0.446 -9.077 5.398 1.00 0.00 C ATOM 230 CD GLN A 17 0.044 -10.506 5.707 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.817 -11.440 5.489 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.169 -10.682 6.217 1.00 0.00 N ATOM 0 H GLN A 17 1.447 -8.250 2.769 1.00 0.00 H new ATOM 0 HA GLN A 17 1.733 -6.797 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.218 -9.701 4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.496 -9.129 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.190 -8.441 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.129 -8.719 4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.775 -9.878 6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.495 -11.621 6.445 1.00 0.00 H new ATOM 241 N GLU A 18 4.653 -8.133 4.231 1.00 0.00 N ATOM 242 CA GLU A 18 6.093 -7.988 4.402 1.00 0.00 C ATOM 243 C GLU A 18 6.529 -6.546 4.155 1.00 0.00 C ATOM 244 O GLU A 18 7.366 -6.008 4.878 1.00 0.00 O ATOM 245 CB GLU A 18 6.839 -8.929 3.453 1.00 0.00 C ATOM 246 CG GLU A 18 6.596 -10.401 3.739 1.00 0.00 C ATOM 247 CD GLU A 18 7.563 -10.964 4.762 1.00 0.00 C ATOM 248 OE1 GLU A 18 7.337 -10.752 5.971 1.00 0.00 O ATOM 249 OE2 GLU A 18 8.547 -11.615 4.353 1.00 0.00 O ATOM 0 H GLU A 18 4.375 -8.917 3.641 1.00 0.00 H new ATOM 0 HA GLU A 18 6.339 -8.251 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.537 -8.712 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.908 -8.726 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.575 -10.534 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.684 -10.967 2.812 1.00 0.00 H new ATOM 256 N GLN A 19 5.954 -5.930 3.127 1.00 0.00 N ATOM 257 CA GLN A 19 6.283 -4.552 2.782 1.00 0.00 C ATOM 258 C GLN A 19 5.720 -3.583 3.817 1.00 0.00 C ATOM 259 O GLN A 19 6.295 -2.522 4.069 1.00 0.00 O ATOM 260 CB GLN A 19 5.741 -4.207 1.395 1.00 0.00 C ATOM 261 CG GLN A 19 6.247 -5.129 0.297 1.00 0.00 C ATOM 262 CD GLN A 19 7.760 -5.211 0.256 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.453 -4.219 0.481 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.280 -6.399 -0.032 1.00 0.00 N ATOM 0 H GLN A 19 5.259 -6.363 2.519 1.00 0.00 H new ATOM 0 HA GLN A 19 7.369 -4.456 2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.652 -4.248 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.016 -3.181 1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.837 -6.127 0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.880 -4.776 -0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.667 -7.194 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.292 -6.516 -0.074 1.00 0.00 H new ATOM 273 N THR A 20 4.591 -3.953 4.415 1.00 0.00 N ATOM 274 CA THR A 20 3.950 -3.115 5.421 1.00 0.00 C ATOM 275 C THR A 20 4.285 -3.593 6.829 1.00 0.00 C ATOM 276 O THR A 20 3.603 -3.244 7.791 1.00 0.00 O ATOM 277 CB THR A 20 2.420 -3.102 5.246 1.00 0.00 C ATOM 278 OG1 THR A 20 1.903 -4.434 5.349 1.00 0.00 O ATOM 279 CG2 THR A 20 2.033 -2.505 3.901 1.00 0.00 C ATOM 0 H THR A 20 4.102 -4.827 4.220 1.00 0.00 H new ATOM 0 HA THR A 20 4.334 -2.104 5.283 1.00 0.00 H new ATOM 0 HB THR A 20 1.992 -2.485 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.641 -5.061 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.948 -2.507 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.402 -1.481 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.472 -3.099 3.099 1.00 0.00 H new ATOM 287 N ALA A 21 5.341 -4.393 6.941 1.00 0.00 N ATOM 288 CA ALA A 21 5.768 -4.916 8.232 1.00 0.00 C ATOM 289 C ALA A 21 6.606 -3.892 8.990 1.00 0.00 C ATOM 290 O ALA A 21 7.119 -2.940 8.404 1.00 0.00 O ATOM 291 CB ALA A 21 6.552 -6.207 8.045 1.00 0.00 C ATOM 0 H ALA A 21 5.916 -4.692 6.153 1.00 0.00 H new ATOM 0 HA ALA A 21 4.877 -5.126 8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.865 -6.587 9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.922 -6.947 7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.432 -6.013 7.431 1.00 0.00 H new ATOM 297 N GLY A 22 6.738 -4.093 10.298 1.00 0.00 N ATOM 298 CA GLY A 22 7.513 -3.176 11.114 1.00 0.00 C ATOM 299 C GLY A 22 6.686 -2.014 11.626 1.00 0.00 C ATOM 300 O GLY A 22 6.499 -1.861 12.834 1.00 0.00 O ATOM 0 H GLY A 22 6.323 -4.874 10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.937 -3.717 11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.349 -2.793 10.530 1.00 0.00 H new ATOM 304 N TYR A 23 6.192 -1.192 10.708 1.00 0.00 N ATOM 305 CA TYR A 23 5.383 -0.035 11.072 1.00 0.00 C ATOM 306 C TYR A 23 4.448 -0.367 12.231 1.00 0.00 C ATOM 307 O TYR A 23 3.621 -1.276 12.154 1.00 0.00 O ATOM 308 CB TYR A 23 4.571 0.447 9.869 1.00 0.00 C ATOM 309 CG TYR A 23 4.227 1.919 9.921 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.600 2.467 11.032 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.530 2.760 8.857 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.284 3.810 11.083 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.218 4.105 8.900 1.00 0.00 C ATOM 314 CZ TYR A 23 3.594 4.626 10.014 1.00 0.00 C ATOM 315 OH TYR A 23 3.282 5.965 10.062 1.00 0.00 O ATOM 0 H TYR A 23 6.338 -1.305 9.705 1.00 0.00 H new ATOM 0 HA TYR A 23 6.057 0.761 11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.134 0.246 8.957 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.649 -0.131 9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.355 1.832 11.871 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.017 2.355 7.982 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.797 4.220 11.955 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.462 4.745 8.065 1.00 0.00 H new ATOM 0 HH TYR A 23 3.308 6.274 10.992 1.00 0.00 H new ATOM 325 N PRO A 24 4.580 0.388 13.332 1.00 0.00 N ATOM 326 CA PRO A 24 3.755 0.194 14.528 1.00 0.00 C ATOM 327 C PRO A 24 2.304 0.602 14.304 1.00 0.00 C ATOM 328 O PRO A 24 2.017 1.749 13.963 1.00 0.00 O ATOM 329 CB PRO A 24 4.414 1.108 15.565 1.00 0.00 C ATOM 330 CG PRO A 24 5.097 2.160 14.763 1.00 0.00 C ATOM 331 CD PRO A 24 5.545 1.488 13.494 1.00 0.00 C ATOM 0 HA PRO A 24 3.712 -0.853 14.828 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.674 1.541 16.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.124 0.558 16.183 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.421 2.988 14.549 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.946 2.575 15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.520 2.173 12.646 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.567 1.118 13.575 1.00 0.00 H new ATOM 339 N GLY A 25 1.390 -0.344 14.496 1.00 0.00 N ATOM 340 CA GLY A 25 -0.021 -0.062 14.311 1.00 0.00 C ATOM 341 C GLY A 25 -0.550 -0.594 12.994 1.00 0.00 C ATOM 342 O GLY A 25 -1.683 -1.070 12.918 1.00 0.00 O ATOM 0 H GLY A 25 1.602 -1.301 14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.587 -0.503 15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.182 1.015 14.355 1.00 0.00 H new ATOM 346 N VAL A 26 0.271 -0.513 11.952 1.00 0.00 N ATOM 347 CA VAL A 26 -0.121 -0.989 10.630 1.00 0.00 C ATOM 348 C VAL A 26 -0.467 -2.473 10.662 1.00 0.00 C ATOM 349 O VAL A 26 0.419 -3.327 10.677 1.00 0.00 O ATOM 350 CB VAL A 26 0.996 -0.755 9.596 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.718 -1.541 8.324 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.141 0.729 9.295 1.00 0.00 C ATOM 0 H VAL A 26 1.212 -0.122 11.997 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.003 -0.420 10.336 1.00 0.00 H new ATOM 0 HB VAL A 26 1.937 -1.110 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.517 -1.364 7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.669 -2.605 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.232 -1.219 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.935 0.876 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.202 1.112 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.390 1.264 10.212 1.00 0.00 H new ATOM 362 N HIS A 27 -1.762 -2.773 10.671 1.00 0.00 N ATOM 363 CA HIS A 27 -2.226 -4.156 10.700 1.00 0.00 C ATOM 364 C HIS A 27 -2.849 -4.548 9.363 1.00 0.00 C ATOM 365 O HIS A 27 -4.037 -4.322 9.132 1.00 0.00 O ATOM 366 CB HIS A 27 -3.241 -4.352 11.826 1.00 0.00 C ATOM 367 CG HIS A 27 -2.620 -4.752 13.130 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.843 -4.074 14.309 1.00 0.00 N ATOM 369 CD2 HIS A 27 -1.779 -5.768 13.434 1.00 0.00 C ATOM 370 CE1 HIS A 27 -2.166 -4.655 15.283 1.00 0.00 C ATOM 371 NE2 HIS A 27 -1.512 -5.685 14.778 1.00 0.00 N ATOM 0 H HIS A 27 -2.508 -2.078 10.659 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.365 -4.799 10.882 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.798 -3.426 11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.961 -5.114 11.527 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.391 -6.506 12.748 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.150 -4.341 16.316 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.906 -6.317 15.302 1.00 0.00 H new ATOM 380 N VAL A 28 -2.040 -5.133 8.487 1.00 0.00 N ATOM 381 CA VAL A 28 -2.512 -5.556 7.174 1.00 0.00 C ATOM 382 C VAL A 28 -2.811 -7.051 7.153 1.00 0.00 C ATOM 383 O VAL A 28 -2.051 -7.839 6.589 1.00 0.00 O ATOM 384 CB VAL A 28 -1.481 -5.234 6.076 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.070 -5.493 4.698 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.004 -3.796 6.200 1.00 0.00 C ATOM 0 H VAL A 28 -1.054 -5.325 8.662 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.429 -5.002 6.974 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.620 -5.890 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.327 -5.260 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.357 -6.541 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.948 -4.864 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.276 -3.585 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.853 -3.121 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.540 -3.649 7.175 1.00 0.00 H new ATOM 396 N SER A 29 -3.923 -7.436 7.771 1.00 0.00 N ATOM 397 CA SER A 29 -4.322 -8.837 7.826 1.00 0.00 C ATOM 398 C SER A 29 -5.227 -9.191 6.650 1.00 0.00 C ATOM 399 O SER A 29 -5.445 -10.366 6.353 1.00 0.00 O ATOM 400 CB SER A 29 -5.040 -9.134 9.144 1.00 0.00 C ATOM 401 OG SER A 29 -6.365 -8.629 9.127 1.00 0.00 O ATOM 0 H SER A 29 -4.564 -6.797 8.241 1.00 0.00 H new ATOM 0 HA SER A 29 -3.421 -9.448 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.060 -10.210 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.488 -8.688 9.971 1.00 0.00 H new ATOM 0 HG SER A 29 -6.804 -8.833 9.979 1.00 0.00 H new ATOM 407 N ASP A 30 -5.749 -8.167 5.985 1.00 0.00 N ATOM 408 CA ASP A 30 -6.630 -8.369 4.839 1.00 0.00 C ATOM 409 C ASP A 30 -6.592 -7.163 3.906 1.00 0.00 C ATOM 410 O ASP A 30 -5.947 -6.156 4.201 1.00 0.00 O ATOM 411 CB ASP A 30 -8.063 -8.622 5.309 1.00 0.00 C ATOM 412 CG ASP A 30 -8.273 -10.045 5.785 1.00 0.00 C ATOM 413 OD1 ASP A 30 -7.786 -10.383 6.885 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.927 -10.823 5.059 1.00 0.00 O ATOM 0 H ASP A 30 -5.578 -7.189 6.219 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.277 -9.242 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.304 -7.932 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.753 -8.410 4.492 1.00 0.00 H new ATOM 419 N LEU A 31 -7.286 -7.271 2.779 1.00 0.00 N ATOM 420 CA LEU A 31 -7.333 -6.190 1.801 1.00 0.00 C ATOM 421 C LEU A 31 -8.755 -5.668 1.632 1.00 0.00 C ATOM 422 O LEU A 31 -9.266 -5.578 0.516 1.00 0.00 O ATOM 423 CB LEU A 31 -6.791 -6.671 0.454 1.00 0.00 C ATOM 424 CG LEU A 31 -5.414 -7.336 0.484 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.226 -8.228 -0.734 1.00 0.00 C ATOM 426 CD2 LEU A 31 -4.315 -6.286 0.551 1.00 0.00 C ATOM 0 H LEU A 31 -7.825 -8.097 2.519 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.709 -5.375 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.504 -7.377 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.746 -5.818 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.351 -7.956 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.241 -8.693 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.993 -9.003 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.309 -7.628 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.343 -6.778 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.376 -5.639 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.438 -5.688 1.454 1.00 0.00 H new ATOM 438 N SER A 32 -9.390 -5.324 2.748 1.00 0.00 N ATOM 439 CA SER A 32 -10.756 -4.812 2.725 1.00 0.00 C ATOM 440 C SER A 32 -10.868 -3.525 3.536 1.00 0.00 C ATOM 441 O SER A 32 -11.169 -2.462 2.995 1.00 0.00 O ATOM 442 CB SER A 32 -11.726 -5.861 3.273 1.00 0.00 C ATOM 443 OG SER A 32 -11.301 -6.335 4.539 1.00 0.00 O ATOM 0 H SER A 32 -8.981 -5.390 3.680 1.00 0.00 H new ATOM 0 HA SER A 32 -11.018 -4.592 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.723 -5.429 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.798 -6.695 2.574 1.00 0.00 H new ATOM 0 HG SER A 32 -11.938 -7.003 4.869 1.00 0.00 H new ATOM 449 N SER A 33 -10.624 -3.631 4.839 1.00 0.00 N ATOM 450 CA SER A 33 -10.700 -2.478 5.728 1.00 0.00 C ATOM 451 C SER A 33 -9.362 -2.233 6.418 1.00 0.00 C ATOM 452 O SER A 33 -9.123 -1.160 6.971 1.00 0.00 O ATOM 453 CB SER A 33 -11.796 -2.687 6.774 1.00 0.00 C ATOM 454 OG SER A 33 -11.335 -3.495 7.842 1.00 0.00 O ATOM 0 H SER A 33 -10.372 -4.504 5.302 1.00 0.00 H new ATOM 0 HA SER A 33 -10.943 -1.602 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.124 -1.722 7.160 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.663 -3.155 6.308 1.00 0.00 H new ATOM 0 HG SER A 33 -12.054 -3.612 8.498 1.00 0.00 H new ATOM 460 N SER A 34 -8.491 -3.237 6.379 1.00 0.00 N ATOM 461 CA SER A 34 -7.177 -3.134 7.003 1.00 0.00 C ATOM 462 C SER A 34 -6.361 -2.013 6.368 1.00 0.00 C ATOM 463 O SER A 34 -5.445 -1.471 6.987 1.00 0.00 O ATOM 464 CB SER A 34 -6.426 -4.461 6.881 1.00 0.00 C ATOM 465 OG SER A 34 -6.724 -5.319 7.968 1.00 0.00 O ATOM 0 H SER A 34 -8.672 -4.131 5.922 1.00 0.00 H new ATOM 0 HA SER A 34 -7.320 -2.902 8.058 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.695 -4.949 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.353 -4.273 6.846 1.00 0.00 H new ATOM 0 HG SER A 34 -5.996 -5.282 8.623 1.00 0.00 H new ATOM 471 N TRP A 35 -6.698 -1.672 5.130 1.00 0.00 N ATOM 472 CA TRP A 35 -5.997 -0.616 4.410 1.00 0.00 C ATOM 473 C TRP A 35 -6.764 0.699 4.489 1.00 0.00 C ATOM 474 O TRP A 35 -6.229 1.761 4.170 1.00 0.00 O ATOM 475 CB TRP A 35 -5.794 -1.015 2.948 1.00 0.00 C ATOM 476 CG TRP A 35 -4.945 -2.238 2.778 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.275 -3.519 3.120 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.625 -2.296 2.226 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.240 -4.369 2.814 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.217 -3.643 2.264 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.750 -1.341 1.702 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.971 -4.057 1.798 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.514 -1.753 1.240 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.134 -3.101 1.291 1.00 0.00 C ATOM 0 H TRP A 35 -7.453 -2.112 4.604 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.023 -0.476 4.879 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.767 -1.190 2.488 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.333 -0.185 2.413 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.212 -3.819 3.565 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.234 -5.377 2.971 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.034 -0.300 1.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.676 -5.095 1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.829 -1.024 0.833 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.161 -3.391 0.923 1.00 0.00 H new ATOM 495 N ALA A 36 -8.020 0.622 4.917 1.00 0.00 N ATOM 496 CA ALA A 36 -8.860 1.807 5.040 1.00 0.00 C ATOM 497 C ALA A 36 -8.223 2.838 5.967 1.00 0.00 C ATOM 498 O ALA A 36 -8.118 4.015 5.622 1.00 0.00 O ATOM 499 CB ALA A 36 -10.242 1.424 5.545 1.00 0.00 C ATOM 0 H ALA A 36 -8.478 -0.249 5.184 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.958 2.257 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.858 2.319 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.706 0.730 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.154 0.948 6.522 1.00 0.00 H new ATOM 505 N ASP A 37 -7.799 2.386 7.142 1.00 0.00 N ATOM 506 CA ASP A 37 -7.172 3.270 8.119 1.00 0.00 C ATOM 507 C ASP A 37 -6.316 4.326 7.425 1.00 0.00 C ATOM 508 O ASP A 37 -6.272 5.480 7.849 1.00 0.00 O ATOM 509 CB ASP A 37 -6.315 2.461 9.094 1.00 0.00 C ATOM 510 CG ASP A 37 -7.060 1.271 9.668 1.00 0.00 C ATOM 511 OD1 ASP A 37 -7.730 1.435 10.708 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.971 0.175 9.075 1.00 0.00 O ATOM 0 H ASP A 37 -7.878 1.414 7.441 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.962 3.776 8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.418 2.112 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.987 3.108 9.908 1.00 0.00 H new ATOM 517 N GLY A 38 -5.636 3.921 6.357 1.00 0.00 N ATOM 518 CA GLY A 38 -4.789 4.843 5.623 1.00 0.00 C ATOM 519 C GLY A 38 -3.314 4.552 5.813 1.00 0.00 C ATOM 520 O GLY A 38 -2.541 4.572 4.854 1.00 0.00 O ATOM 0 H GLY A 38 -5.656 2.971 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.033 4.789 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.000 5.862 5.947 1.00 0.00 H new ATOM 524 N LEU A 39 -2.920 4.280 7.052 1.00 0.00 N ATOM 525 CA LEU A 39 -1.526 3.985 7.365 1.00 0.00 C ATOM 526 C LEU A 39 -0.988 2.878 6.464 1.00 0.00 C ATOM 527 O LEU A 39 0.098 2.998 5.898 1.00 0.00 O ATOM 528 CB LEU A 39 -1.388 3.576 8.832 1.00 0.00 C ATOM 529 CG LEU A 39 -1.126 4.711 9.823 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.436 4.261 11.243 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.313 5.192 9.716 1.00 0.00 C ATOM 0 H LEU A 39 -3.546 4.258 7.857 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.941 4.888 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.301 3.062 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.574 2.855 8.913 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.785 5.543 9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.244 5.081 11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.483 3.967 11.311 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.803 3.412 11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.481 6.000 10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.990 4.367 9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.501 5.555 8.706 1.00 0.00 H new ATOM 543 N ALA A 40 -1.758 1.803 6.334 1.00 0.00 N ATOM 544 CA ALA A 40 -1.361 0.676 5.498 1.00 0.00 C ATOM 545 C ALA A 40 -0.582 1.147 4.276 1.00 0.00 C ATOM 546 O ALA A 40 0.610 0.867 4.140 1.00 0.00 O ATOM 547 CB ALA A 40 -2.585 -0.121 5.071 1.00 0.00 C ATOM 0 H ALA A 40 -2.660 1.688 6.796 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.708 0.031 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.274 -0.959 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.100 -0.498 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.259 0.522 4.505 1.00 0.00 H new ATOM 553 N LEU A 41 -1.261 1.865 3.387 1.00 0.00 N ATOM 554 CA LEU A 41 -0.631 2.375 2.174 1.00 0.00 C ATOM 555 C LEU A 41 0.603 3.207 2.509 1.00 0.00 C ATOM 556 O LEU A 41 1.567 3.241 1.744 1.00 0.00 O ATOM 557 CB LEU A 41 -1.626 3.218 1.375 1.00 0.00 C ATOM 558 CG LEU A 41 -2.463 2.466 0.340 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.780 3.186 0.092 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.688 2.307 -0.960 1.00 0.00 C ATOM 0 H LEU A 41 -2.247 2.107 3.484 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.319 1.523 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.304 3.706 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.075 4.007 0.863 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.683 1.473 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.362 2.636 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.342 3.247 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.581 4.192 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.300 1.769 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.436 3.291 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.772 1.747 -0.771 1.00 0.00 H new ATOM 572 N CYS A 42 0.567 3.872 3.658 1.00 0.00 N ATOM 573 CA CYS A 42 1.683 4.703 4.095 1.00 0.00 C ATOM 574 C CYS A 42 2.904 3.847 4.417 1.00 0.00 C ATOM 575 O CYS A 42 4.025 4.177 4.030 1.00 0.00 O ATOM 576 CB CYS A 42 1.284 5.524 5.323 1.00 0.00 C ATOM 577 SG CYS A 42 -0.303 6.373 5.158 1.00 0.00 S ATOM 0 H CYS A 42 -0.222 3.852 4.304 1.00 0.00 H new ATOM 0 HA CYS A 42 1.940 5.381 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.243 4.865 6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.061 6.263 5.521 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.201 5.535 4.732 1.00 0.00 H new ATOM 583 N ALA A 43 2.680 2.748 5.129 1.00 0.00 N ATOM 584 CA ALA A 43 3.761 1.845 5.501 1.00 0.00 C ATOM 585 C ALA A 43 4.393 1.206 4.269 1.00 0.00 C ATOM 586 O ALA A 43 5.614 1.088 4.175 1.00 0.00 O ATOM 587 CB ALA A 43 3.250 0.772 6.452 1.00 0.00 C ATOM 0 H ALA A 43 1.759 2.462 5.460 1.00 0.00 H new ATOM 0 HA ALA A 43 4.529 2.429 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.069 0.105 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.854 1.242 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.461 0.200 5.965 1.00 0.00 H new ATOM 593 N LEU A 44 3.552 0.794 3.327 1.00 0.00 N ATOM 594 CA LEU A 44 4.027 0.165 2.099 1.00 0.00 C ATOM 595 C LEU A 44 4.885 1.131 1.290 1.00 0.00 C ATOM 596 O LEU A 44 5.907 0.745 0.722 1.00 0.00 O ATOM 597 CB LEU A 44 2.844 -0.314 1.256 1.00 0.00 C ATOM 598 CG LEU A 44 3.144 -0.614 -0.213 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.831 -1.964 -0.352 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.865 -0.577 -1.037 1.00 0.00 C ATOM 0 H LEU A 44 2.538 0.884 3.390 1.00 0.00 H new ATOM 0 HA LEU A 44 4.640 -0.694 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.438 -1.216 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.062 0.445 1.299 1.00 0.00 H new ATOM 0 HG LEU A 44 3.818 0.155 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.037 -2.161 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.768 -1.955 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.181 -2.745 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.098 -0.793 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.167 -1.324 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.413 0.412 -0.963 1.00 0.00 H new ATOM 612 N VAL A 45 4.464 2.391 1.242 1.00 0.00 N ATOM 613 CA VAL A 45 5.196 3.415 0.504 1.00 0.00 C ATOM 614 C VAL A 45 6.519 3.744 1.188 1.00 0.00 C ATOM 615 O VAL A 45 7.585 3.644 0.579 1.00 0.00 O ATOM 616 CB VAL A 45 4.368 4.705 0.365 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.170 5.780 -0.353 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.063 4.425 -0.366 1.00 0.00 C ATOM 0 H VAL A 45 3.620 2.728 1.705 1.00 0.00 H new ATOM 0 HA VAL A 45 5.394 3.011 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 45 4.128 5.070 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.568 6.684 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.074 6.000 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.443 5.427 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.491 5.348 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.279 4.035 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.483 3.691 0.193 1.00 0.00 H new ATOM 628 N TYR A 46 6.443 4.136 2.454 1.00 0.00 N ATOM 629 CA TYR A 46 7.634 4.482 3.220 1.00 0.00 C ATOM 630 C TYR A 46 8.683 3.378 3.124 1.00 0.00 C ATOM 631 O TYR A 46 9.836 3.631 2.771 1.00 0.00 O ATOM 632 CB TYR A 46 7.271 4.728 4.686 1.00 0.00 C ATOM 633 CG TYR A 46 6.535 6.029 4.916 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.088 7.242 4.522 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.288 6.046 5.530 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.420 8.433 4.732 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.613 7.232 5.742 1.00 0.00 C ATOM 638 CZ TYR A 46 5.183 8.422 5.341 1.00 0.00 C ATOM 639 OH TYR A 46 4.515 9.606 5.552 1.00 0.00 O ATOM 0 H TYR A 46 5.569 4.222 2.972 1.00 0.00 H new ATOM 0 HA TYR A 46 8.053 5.396 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.654 3.903 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.183 4.725 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.056 7.254 4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.839 5.116 5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.864 9.367 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.644 7.228 6.219 1.00 0.00 H new ATOM 0 HH TYR A 46 4.217 9.971 4.693 1.00 0.00 H new ATOM 649 N ARG A 47 8.276 2.154 3.439 1.00 0.00 N ATOM 650 CA ARG A 47 9.179 1.011 3.388 1.00 0.00 C ATOM 651 C ARG A 47 9.826 0.890 2.012 1.00 0.00 C ATOM 652 O ARG A 47 11.046 0.996 1.876 1.00 0.00 O ATOM 653 CB ARG A 47 8.425 -0.278 3.724 1.00 0.00 C ATOM 654 CG ARG A 47 9.318 -1.382 4.266 1.00 0.00 C ATOM 655 CD ARG A 47 10.464 -1.688 3.315 1.00 0.00 C ATOM 656 NE ARG A 47 11.646 -0.878 3.605 1.00 0.00 N ATOM 657 CZ ARG A 47 12.859 -1.157 3.141 1.00 0.00 C ATOM 658 NH1 ARG A 47 13.051 -2.219 2.370 1.00 0.00 N ATOM 659 NH2 ARG A 47 13.885 -0.373 3.448 1.00 0.00 N ATOM 0 H ARG A 47 7.326 1.928 3.733 1.00 0.00 H new ATOM 0 HA ARG A 47 9.964 1.168 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.651 -0.055 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.920 -0.638 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.718 -1.085 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.727 -2.283 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.722 -2.745 3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.143 -1.507 2.289 1.00 0.00 H new ATOM 0 HE ARG A 47 11.533 -0.054 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.266 -2.825 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.984 -2.430 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.743 0.445 4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.816 -0.588 3.091 1.00 0.00 H new ATOM 673 N LEU A 48 9.003 0.666 0.994 1.00 0.00 N ATOM 674 CA LEU A 48 9.495 0.530 -0.372 1.00 0.00 C ATOM 675 C LEU A 48 10.661 1.480 -0.628 1.00 0.00 C ATOM 676 O LEU A 48 11.662 1.099 -1.235 1.00 0.00 O ATOM 677 CB LEU A 48 8.369 0.806 -1.370 1.00 0.00 C ATOM 678 CG LEU A 48 7.382 -0.338 -1.602 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.185 0.144 -2.408 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.069 -1.500 -2.306 1.00 0.00 C ATOM 0 H LEU A 48 7.992 0.575 1.089 1.00 0.00 H new ATOM 0 HA LEU A 48 9.848 -0.493 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.811 1.677 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.817 1.073 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 48 7.024 -0.686 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.493 -0.684 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.679 0.943 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.524 0.519 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.352 -2.306 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.455 -1.165 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.893 -1.862 -1.691 1.00 0.00 H new ATOM 692 N GLN A 49 10.525 2.716 -0.160 1.00 0.00 N ATOM 693 CA GLN A 49 11.568 3.719 -0.338 1.00 0.00 C ATOM 694 C GLN A 49 11.877 4.422 0.980 1.00 0.00 C ATOM 695 O GLN A 49 11.168 5.336 1.405 1.00 0.00 O ATOM 696 CB GLN A 49 11.144 4.745 -1.391 1.00 0.00 C ATOM 697 CG GLN A 49 12.311 5.344 -2.160 1.00 0.00 C ATOM 698 CD GLN A 49 11.865 6.330 -3.220 1.00 0.00 C ATOM 699 OE1 GLN A 49 11.384 5.941 -4.285 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.023 7.618 -2.936 1.00 0.00 N ATOM 0 H GLN A 49 9.703 3.047 0.345 1.00 0.00 H new ATOM 0 HA GLN A 49 12.471 3.212 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.461 4.270 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.591 5.547 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.982 5.845 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.881 4.543 -2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.426 7.897 -2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.741 8.328 -3.612 1.00 0.00 H new ATOM 709 N PRO A 50 12.958 3.989 1.644 1.00 0.00 N ATOM 710 CA PRO A 50 13.385 4.563 2.923 1.00 0.00 C ATOM 711 C PRO A 50 13.927 5.980 2.770 1.00 0.00 C ATOM 712 O PRO A 50 13.863 6.783 3.699 1.00 0.00 O ATOM 713 CB PRO A 50 14.494 3.614 3.385 1.00 0.00 C ATOM 714 CG PRO A 50 15.021 3.007 2.130 1.00 0.00 C ATOM 715 CD PRO A 50 13.848 2.904 1.196 1.00 0.00 C ATOM 0 HA PRO A 50 12.558 4.649 3.627 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.275 4.150 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.107 2.852 4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.810 3.624 1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.454 2.025 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.149 3.035 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.362 1.931 1.267 1.00 0.00 H new ATOM 723 N GLY A 51 14.460 6.281 1.590 1.00 0.00 N ATOM 724 CA GLY A 51 15.005 7.602 1.337 1.00 0.00 C ATOM 725 C GLY A 51 13.977 8.700 1.530 1.00 0.00 C ATOM 726 O GLY A 51 14.317 9.819 1.916 1.00 0.00 O ATOM 0 H GLY A 51 14.524 5.633 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.849 7.777 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.390 7.644 0.318 1.00 0.00 H new ATOM 730 N LEU A 52 12.716 8.382 1.258 1.00 0.00 N ATOM 731 CA LEU A 52 11.634 9.349 1.401 1.00 0.00 C ATOM 732 C LEU A 52 11.410 9.701 2.868 1.00 0.00 C ATOM 733 O LEU A 52 11.797 8.950 3.765 1.00 0.00 O ATOM 734 CB LEU A 52 10.344 8.795 0.796 1.00 0.00 C ATOM 735 CG LEU A 52 10.169 8.996 -0.710 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.366 7.853 -1.312 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.496 10.331 -0.996 1.00 0.00 C ATOM 0 H LEU A 52 12.418 7.461 0.937 1.00 0.00 H new ATOM 0 HA LEU A 52 11.918 10.256 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.296 7.727 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.499 9.259 1.305 1.00 0.00 H new ATOM 0 HG LEU A 52 11.156 9.003 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.252 8.014 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.888 6.912 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.382 7.814 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.380 10.457 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.516 10.354 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.110 11.140 -0.600 1.00 0.00 H new ATOM 749 N LEU A 53 10.782 10.847 3.107 1.00 0.00 N ATOM 750 CA LEU A 53 10.503 11.299 4.466 1.00 0.00 C ATOM 751 C LEU A 53 9.759 10.226 5.255 1.00 0.00 C ATOM 752 O LEU A 53 9.355 9.204 4.701 1.00 0.00 O ATOM 753 CB LEU A 53 9.682 12.588 4.437 1.00 0.00 C ATOM 754 CG LEU A 53 8.230 12.450 3.976 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.129 11.462 2.825 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.342 12.017 5.133 1.00 0.00 C ATOM 0 H LEU A 53 10.456 11.481 2.377 1.00 0.00 H new ATOM 0 HA LEU A 53 11.455 11.493 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.685 13.019 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.184 13.300 3.782 1.00 0.00 H new ATOM 0 HG LEU A 53 7.885 13.423 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.089 11.376 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.734 11.814 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.491 10.487 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.313 11.924 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.685 11.055 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.391 12.761 5.928 1.00 0.00 H new ATOM 768 N GLU A 54 9.582 10.466 6.550 1.00 0.00 N ATOM 769 CA GLU A 54 8.885 9.520 7.414 1.00 0.00 C ATOM 770 C GLU A 54 7.515 10.060 7.818 1.00 0.00 C ATOM 771 O GLU A 54 7.235 11.254 7.714 1.00 0.00 O ATOM 772 CB GLU A 54 9.719 9.227 8.663 1.00 0.00 C ATOM 773 CG GLU A 54 10.645 8.033 8.509 1.00 0.00 C ATOM 774 CD GLU A 54 11.645 7.921 9.645 1.00 0.00 C ATOM 775 OE1 GLU A 54 11.222 8.002 10.816 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.849 7.754 9.360 1.00 0.00 O ATOM 0 H GLU A 54 9.911 11.307 7.024 1.00 0.00 H new ATOM 0 HA GLU A 54 8.741 8.594 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.313 10.108 8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.049 9.050 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.051 7.121 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.182 8.113 7.564 1.00 0.00 H new ATOM 783 N PRO A 55 6.641 9.158 8.288 1.00 0.00 N ATOM 784 CA PRO A 55 5.287 9.519 8.718 1.00 0.00 C ATOM 785 C PRO A 55 5.285 10.338 10.004 1.00 0.00 C ATOM 786 O PRO A 55 4.228 10.636 10.560 1.00 0.00 O ATOM 787 CB PRO A 55 4.615 8.163 8.946 1.00 0.00 C ATOM 788 CG PRO A 55 5.736 7.230 9.246 1.00 0.00 C ATOM 789 CD PRO A 55 6.907 7.718 8.439 1.00 0.00 C ATOM 0 HA PRO A 55 4.779 10.144 7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.905 8.207 9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.059 7.843 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.969 7.229 10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.475 6.207 8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.852 7.535 8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.966 7.217 7.473 1.00 0.00 H new ATOM 797 N SER A 56 6.475 10.701 10.471 1.00 0.00 N ATOM 798 CA SER A 56 6.610 11.483 11.694 1.00 0.00 C ATOM 799 C SER A 56 5.439 12.447 11.854 1.00 0.00 C ATOM 800 O SER A 56 4.994 12.721 12.969 1.00 0.00 O ATOM 801 CB SER A 56 7.927 12.260 11.685 1.00 0.00 C ATOM 802 OG SER A 56 9.039 11.381 11.690 1.00 0.00 O ATOM 0 H SER A 56 7.360 10.466 10.021 1.00 0.00 H new ATOM 0 HA SER A 56 6.609 10.794 12.538 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.969 12.900 10.803 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.973 12.914 12.556 1.00 0.00 H new ATOM 0 HG SER A 56 9.868 11.903 11.682 1.00 0.00 H new ATOM 808 N GLU A 57 4.944 12.959 10.731 1.00 0.00 N ATOM 809 CA GLU A 57 3.825 13.894 10.746 1.00 0.00 C ATOM 810 C GLU A 57 2.496 13.154 10.626 1.00 0.00 C ATOM 811 O GLU A 57 1.531 13.471 11.323 1.00 0.00 O ATOM 812 CB GLU A 57 3.962 14.907 9.608 1.00 0.00 C ATOM 813 CG GLU A 57 5.248 15.715 9.663 1.00 0.00 C ATOM 814 CD GLU A 57 6.430 14.971 9.073 1.00 0.00 C ATOM 815 OE1 GLU A 57 6.222 14.187 8.124 1.00 0.00 O ATOM 816 OE2 GLU A 57 7.561 15.173 9.560 1.00 0.00 O ATOM 0 H GLU A 57 5.300 12.742 9.800 1.00 0.00 H new ATOM 0 HA GLU A 57 3.841 14.424 11.698 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.915 14.379 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.113 15.590 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.107 16.652 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.466 15.973 10.699 1.00 0.00 H new ATOM 823 N LEU A 58 2.454 12.166 9.739 1.00 0.00 N ATOM 824 CA LEU A 58 1.244 11.380 9.526 1.00 0.00 C ATOM 825 C LEU A 58 0.727 10.808 10.841 1.00 0.00 C ATOM 826 O LEU A 58 -0.481 10.715 11.056 1.00 0.00 O ATOM 827 CB LEU A 58 1.517 10.246 8.536 1.00 0.00 C ATOM 828 CG LEU A 58 1.283 10.573 7.061 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.314 11.575 6.565 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.323 9.304 6.220 1.00 0.00 C ATOM 0 H LEU A 58 3.244 11.890 9.156 1.00 0.00 H new ATOM 0 HA LEU A 58 0.480 12.039 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.552 9.926 8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.888 9.397 8.804 1.00 0.00 H new ATOM 0 HG LEU A 58 0.294 11.021 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.131 11.795 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.238 12.494 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.313 11.155 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.155 9.556 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.298 8.828 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.546 8.619 6.558 1.00 0.00 H new ATOM 842 N GLN A 59 1.651 10.430 11.720 1.00 0.00 N ATOM 843 CA GLN A 59 1.288 9.869 13.016 1.00 0.00 C ATOM 844 C GLN A 59 0.112 10.624 13.626 1.00 0.00 C ATOM 845 O GLN A 59 -0.829 10.019 14.138 1.00 0.00 O ATOM 846 CB GLN A 59 2.485 9.910 13.967 1.00 0.00 C ATOM 847 CG GLN A 59 2.812 11.306 14.472 1.00 0.00 C ATOM 848 CD GLN A 59 3.985 11.320 15.432 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.466 10.269 15.856 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.451 12.513 15.782 1.00 0.00 N ATOM 0 H GLN A 59 2.655 10.502 11.558 1.00 0.00 H new ATOM 0 HA GLN A 59 0.990 8.832 12.864 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.283 9.262 14.820 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.358 9.503 13.457 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.035 11.952 13.623 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.936 11.723 14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.022 13.359 15.406 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.238 12.584 16.427 1.00 0.00 H new ATOM 859 N GLY A 60 0.173 11.951 13.567 1.00 0.00 N ATOM 860 CA GLY A 60 -0.893 12.768 14.117 1.00 0.00 C ATOM 861 C GLY A 60 -1.620 13.567 13.054 1.00 0.00 C ATOM 862 O GLY A 60 -1.776 14.783 13.180 1.00 0.00 O ATOM 0 H GLY A 60 0.942 12.475 13.148 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.606 12.128 14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.478 13.450 14.859 1.00 0.00 H new ATOM 866 N LEU A 61 -2.064 12.885 12.004 1.00 0.00 N ATOM 867 CA LEU A 61 -2.777 13.541 10.912 1.00 0.00 C ATOM 868 C LEU A 61 -4.238 13.106 10.878 1.00 0.00 C ATOM 869 O LEU A 61 -5.134 13.878 11.216 1.00 0.00 O ATOM 870 CB LEU A 61 -2.106 13.222 9.576 1.00 0.00 C ATOM 871 CG LEU A 61 -1.013 14.192 9.126 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.460 13.782 7.769 1.00 0.00 C ATOM 873 CD2 LEU A 61 -1.548 15.615 9.077 1.00 0.00 C ATOM 0 H LEU A 61 -1.943 11.879 11.885 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.742 14.617 11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.674 12.223 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.875 13.189 8.804 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.201 14.155 9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.317 14.484 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.037 12.780 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.263 13.788 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.756 16.291 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.378 15.667 8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.894 15.908 10.068 1.00 0.00 H new ATOM 885 N GLY A 62 -4.470 11.862 10.469 1.00 0.00 N ATOM 886 CA GLY A 62 -5.825 11.344 10.400 1.00 0.00 C ATOM 887 C GLY A 62 -5.940 10.142 9.486 1.00 0.00 C ATOM 888 O GLY A 62 -5.085 9.921 8.628 1.00 0.00 O ATOM 0 H GLY A 62 -3.745 11.204 10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.157 11.068 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.493 12.130 10.048 1.00 0.00 H new ATOM 892 N ALA A 63 -6.998 9.360 9.668 1.00 0.00 N ATOM 893 CA ALA A 63 -7.222 8.173 8.853 1.00 0.00 C ATOM 894 C ALA A 63 -7.153 8.507 7.367 1.00 0.00 C ATOM 895 O ALA A 63 -6.535 7.784 6.585 1.00 0.00 O ATOM 896 CB ALA A 63 -8.565 7.544 9.192 1.00 0.00 C ATOM 0 H ALA A 63 -7.715 9.527 10.374 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.432 7.456 9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.718 6.658 8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.579 7.260 10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.362 8.262 9.000 1.00 0.00 H new ATOM 902 N LEU A 64 -7.792 9.607 6.982 1.00 0.00 N ATOM 903 CA LEU A 64 -7.803 10.037 5.588 1.00 0.00 C ATOM 904 C LEU A 64 -6.520 10.784 5.238 1.00 0.00 C ATOM 905 O LEU A 64 -5.870 10.484 4.237 1.00 0.00 O ATOM 906 CB LEU A 64 -9.016 10.931 5.320 1.00 0.00 C ATOM 907 CG LEU A 64 -9.598 10.867 3.908 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.992 9.440 3.557 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.795 11.798 3.781 1.00 0.00 C ATOM 0 H LEU A 64 -8.309 10.217 7.615 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.867 9.149 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.801 10.665 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.735 11.963 5.529 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.832 11.195 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.404 9.414 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.113 8.797 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.741 9.085 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.196 11.739 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.564 11.501 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.483 12.822 3.989 1.00 0.00 H new ATOM 921 N GLU A 65 -6.160 11.755 6.071 1.00 0.00 N ATOM 922 CA GLU A 65 -4.953 12.542 5.850 1.00 0.00 C ATOM 923 C GLU A 65 -3.786 11.646 5.444 1.00 0.00 C ATOM 924 O GLU A 65 -2.970 12.017 4.601 1.00 0.00 O ATOM 925 CB GLU A 65 -4.592 13.329 7.111 1.00 0.00 C ATOM 926 CG GLU A 65 -5.551 14.469 7.414 1.00 0.00 C ATOM 927 CD GLU A 65 -5.989 15.209 6.164 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.127 15.488 5.306 1.00 0.00 O ATOM 929 OE2 GLU A 65 -7.196 15.509 6.047 1.00 0.00 O ATOM 0 H GLU A 65 -6.687 12.015 6.905 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.150 13.242 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.572 12.647 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.585 13.732 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.429 14.074 7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.072 15.170 8.098 1.00 0.00 H new ATOM 936 N ALA A 66 -3.715 10.466 6.051 1.00 0.00 N ATOM 937 CA ALA A 66 -2.649 9.517 5.753 1.00 0.00 C ATOM 938 C ALA A 66 -2.712 9.061 4.300 1.00 0.00 C ATOM 939 O ALA A 66 -1.825 9.369 3.503 1.00 0.00 O ATOM 940 CB ALA A 66 -2.733 8.320 6.689 1.00 0.00 C ATOM 0 H ALA A 66 -4.383 10.144 6.752 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.694 10.019 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.932 7.619 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.632 8.657 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.696 7.825 6.562 1.00 0.00 H new ATOM 946 N THR A 67 -3.764 8.322 3.961 1.00 0.00 N ATOM 947 CA THR A 67 -3.941 7.822 2.604 1.00 0.00 C ATOM 948 C THR A 67 -3.566 8.881 1.573 1.00 0.00 C ATOM 949 O THR A 67 -2.946 8.578 0.555 1.00 0.00 O ATOM 950 CB THR A 67 -5.393 7.371 2.355 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.836 6.534 3.430 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.508 6.618 1.039 1.00 0.00 C ATOM 0 H THR A 67 -4.506 8.057 4.608 1.00 0.00 H new ATOM 0 HA THR A 67 -3.278 6.963 2.496 1.00 0.00 H new ATOM 0 HB THR A 67 -6.023 8.259 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.231 5.715 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.542 6.310 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.197 7.267 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.867 5.737 1.067 1.00 0.00 H new ATOM 960 N ALA A 68 -3.946 10.125 1.846 1.00 0.00 N ATOM 961 CA ALA A 68 -3.648 11.230 0.944 1.00 0.00 C ATOM 962 C ALA A 68 -2.170 11.248 0.568 1.00 0.00 C ATOM 963 O ALA A 68 -1.820 11.346 -0.607 1.00 0.00 O ATOM 964 CB ALA A 68 -4.050 12.553 1.578 1.00 0.00 C ATOM 0 H ALA A 68 -4.461 10.392 2.685 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.227 11.087 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.821 13.369 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.119 12.545 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.498 12.694 2.507 1.00 0.00 H new ATOM 970 N TRP A 69 -1.308 11.155 1.574 1.00 0.00 N ATOM 971 CA TRP A 69 0.133 11.162 1.349 1.00 0.00 C ATOM 972 C TRP A 69 0.567 9.929 0.564 1.00 0.00 C ATOM 973 O TRP A 69 1.144 10.041 -0.517 1.00 0.00 O ATOM 974 CB TRP A 69 0.878 11.219 2.683 1.00 0.00 C ATOM 975 CG TRP A 69 2.362 11.066 2.543 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.279 12.066 2.390 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.100 9.838 2.537 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.543 11.534 2.292 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.460 10.170 2.380 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.744 8.492 2.654 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.461 9.203 2.334 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.739 7.534 2.609 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.084 7.893 2.450 1.00 0.00 C ATOM 0 H TRP A 69 -1.582 11.074 2.553 1.00 0.00 H new ATOM 0 HA TRP A 69 0.380 12.048 0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.663 12.170 3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.499 10.433 3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.046 13.120 2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.403 12.069 2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.710 8.205 2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.498 9.477 2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.475 6.490 2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.838 7.120 2.418 1.00 0.00 H new ATOM 994 N ALA A 70 0.285 8.752 1.114 1.00 0.00 N ATOM 995 CA ALA A 70 0.644 7.499 0.464 1.00 0.00 C ATOM 996 C ALA A 70 0.396 7.569 -1.039 1.00 0.00 C ATOM 997 O ALA A 70 1.300 7.326 -1.841 1.00 0.00 O ATOM 998 CB ALA A 70 -0.134 6.344 1.075 1.00 0.00 C ATOM 0 H ALA A 70 -0.191 8.641 2.009 1.00 0.00 H new ATOM 0 HA ALA A 70 1.709 7.329 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.145 5.414 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.097 6.272 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.203 6.517 0.947 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.833 7.902 -1.416 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.201 8.004 -2.824 1.00 0.00 C ATOM 1006 C LEU A 71 -0.369 9.071 -3.528 1.00 0.00 C ATOM 1007 O LEU A 71 -0.150 9.006 -4.738 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.690 8.330 -2.960 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.652 7.155 -2.785 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.047 7.655 -2.442 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.684 6.300 -4.043 1.00 0.00 C ATOM 0 H LEU A 71 -1.592 8.106 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.001 7.043 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.943 9.094 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.857 8.767 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.296 6.538 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.719 6.805 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.011 8.224 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.412 8.294 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.374 5.468 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.015 6.906 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.685 5.912 -4.245 1.00 0.00 H new ATOM 1023 N LYS A 72 0.096 10.053 -2.762 1.00 0.00 N ATOM 1024 CA LYS A 72 0.907 11.133 -3.311 1.00 0.00 C ATOM 1025 C LYS A 72 2.336 10.664 -3.566 1.00 0.00 C ATOM 1026 O LYS A 72 2.757 10.519 -4.714 1.00 0.00 O ATOM 1027 CB LYS A 72 0.915 12.329 -2.356 1.00 0.00 C ATOM 1028 CG LYS A 72 1.257 13.645 -3.031 1.00 0.00 C ATOM 1029 CD LYS A 72 1.389 14.772 -2.022 1.00 0.00 C ATOM 1030 CE LYS A 72 0.028 15.260 -1.549 1.00 0.00 C ATOM 1031 NZ LYS A 72 -0.754 15.877 -2.656 1.00 0.00 N ATOM 0 H LYS A 72 -0.075 10.123 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 72 0.467 11.437 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.065 12.415 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.634 12.142 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.190 13.539 -3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.483 13.894 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.971 14.429 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.938 15.600 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.532 14.424 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.161 15.988 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.487 16.499 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.118 16.434 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.204 15.129 -3.222 1.00 0.00 H new ATOM 1045 N VAL A 73 3.078 10.427 -2.489 1.00 0.00 N ATOM 1046 CA VAL A 73 4.458 9.971 -2.596 1.00 0.00 C ATOM 1047 C VAL A 73 4.579 8.812 -3.578 1.00 0.00 C ATOM 1048 O VAL A 73 5.585 8.679 -4.276 1.00 0.00 O ATOM 1049 CB VAL A 73 5.013 9.532 -1.228 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.288 8.721 -1.404 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.259 10.741 -0.340 1.00 0.00 C ATOM 0 H VAL A 73 2.746 10.544 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 73 5.042 10.815 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 73 4.272 8.898 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.665 8.420 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.075 7.834 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.038 9.328 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.651 10.412 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.981 11.403 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.322 11.276 -0.186 1.00 0.00 H new ATOM 1061 N ALA A 74 3.549 7.974 -3.627 1.00 0.00 N ATOM 1062 CA ALA A 74 3.539 6.826 -4.525 1.00 0.00 C ATOM 1063 C ALA A 74 3.376 7.266 -5.976 1.00 0.00 C ATOM 1064 O ALA A 74 4.001 6.708 -6.877 1.00 0.00 O ATOM 1065 CB ALA A 74 2.428 5.862 -4.136 1.00 0.00 C ATOM 0 H ALA A 74 2.710 8.069 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 74 4.497 6.315 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.432 5.009 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.589 5.514 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.466 6.371 -4.198 1.00 0.00 H new ATOM 1071 N GLU A 75 2.533 8.270 -6.194 1.00 0.00 N ATOM 1072 CA GLU A 75 2.288 8.784 -7.537 1.00 0.00 C ATOM 1073 C GLU A 75 3.402 9.731 -7.970 1.00 0.00 C ATOM 1074 O GLU A 75 3.548 10.037 -9.152 1.00 0.00 O ATOM 1075 CB GLU A 75 0.940 9.505 -7.594 1.00 0.00 C ATOM 1076 CG GLU A 75 0.555 9.968 -8.989 1.00 0.00 C ATOM 1077 CD GLU A 75 1.276 11.236 -9.402 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.379 12.160 -8.568 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.738 11.303 -10.561 1.00 0.00 O ATOM 0 H GLU A 75 2.008 8.744 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 75 2.268 7.937 -8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.165 8.839 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.971 10.369 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.779 9.177 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.521 10.137 -9.028 1.00 0.00 H new ATOM 1086 N ASN A 76 4.187 10.193 -7.001 1.00 0.00 N ATOM 1087 CA ASN A 76 5.289 11.107 -7.281 1.00 0.00 C ATOM 1088 C ASN A 76 6.608 10.350 -7.396 1.00 0.00 C ATOM 1089 O ASN A 76 7.267 10.388 -8.436 1.00 0.00 O ATOM 1090 CB ASN A 76 5.391 12.166 -6.181 1.00 0.00 C ATOM 1091 CG ASN A 76 4.473 13.348 -6.430 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.416 13.882 -7.537 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.748 13.761 -5.395 1.00 0.00 N ATOM 0 H ASN A 76 4.080 9.950 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 76 5.088 11.598 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.144 11.713 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.421 12.517 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.112 14.551 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.828 13.288 -4.495 1.00 0.00 H new ATOM 1100 N GLU A 77 6.985 9.661 -6.324 1.00 0.00 N ATOM 1101 CA GLU A 77 8.226 8.895 -6.307 1.00 0.00 C ATOM 1102 C GLU A 77 8.064 7.581 -7.065 1.00 0.00 C ATOM 1103 O GLU A 77 8.687 7.372 -8.107 1.00 0.00 O ATOM 1104 CB GLU A 77 8.659 8.615 -4.866 1.00 0.00 C ATOM 1105 CG GLU A 77 9.568 9.685 -4.284 1.00 0.00 C ATOM 1106 CD GLU A 77 10.771 9.969 -5.163 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.304 9.012 -5.765 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.179 11.145 -5.251 1.00 0.00 O ATOM 0 H GLU A 77 6.450 9.617 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 77 8.996 9.488 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.771 8.525 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.173 7.655 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.999 10.604 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.909 9.370 -3.298 1.00 0.00 H new ATOM 1115 N LEU A 78 7.225 6.698 -6.534 1.00 0.00 N ATOM 1116 CA LEU A 78 6.981 5.403 -7.160 1.00 0.00 C ATOM 1117 C LEU A 78 6.305 5.573 -8.516 1.00 0.00 C ATOM 1118 O LEU A 78 6.387 4.697 -9.377 1.00 0.00 O ATOM 1119 CB LEU A 78 6.115 4.530 -6.250 1.00 0.00 C ATOM 1120 CG LEU A 78 6.504 4.509 -4.772 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.580 3.589 -3.989 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.954 4.074 -4.609 1.00 0.00 C ATOM 0 H LEU A 78 6.703 6.855 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 78 7.943 4.914 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.083 4.871 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.143 3.508 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 78 6.400 5.519 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.873 3.587 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.553 3.943 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.651 2.577 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.214 4.065 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.083 3.074 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.605 4.772 -5.136 1.00 0.00 H new ATOM 1134 N GLY A 79 5.636 6.707 -8.701 1.00 0.00 N ATOM 1135 CA GLY A 79 4.955 6.972 -9.956 1.00 0.00 C ATOM 1136 C GLY A 79 3.788 6.035 -10.191 1.00 0.00 C ATOM 1137 O GLY A 79 3.330 5.876 -11.323 1.00 0.00 O ATOM 0 H GLY A 79 5.553 7.447 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.597 8.002 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.665 6.877 -10.778 1.00 0.00 H new ATOM 1141 N ILE A 80 3.306 5.412 -9.121 1.00 0.00 N ATOM 1142 CA ILE A 80 2.185 4.486 -9.217 1.00 0.00 C ATOM 1143 C ILE A 80 0.859 5.234 -9.312 1.00 0.00 C ATOM 1144 O ILE A 80 0.189 5.464 -8.304 1.00 0.00 O ATOM 1145 CB ILE A 80 2.138 3.532 -8.009 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.418 2.697 -7.940 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.914 2.630 -8.093 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.533 1.675 -9.049 1.00 0.00 C ATOM 0 H ILE A 80 3.675 5.532 -8.177 1.00 0.00 H new ATOM 0 HA ILE A 80 2.335 3.902 -10.125 1.00 0.00 H new ATOM 0 HB ILE A 80 2.065 4.127 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.280 3.363 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.456 2.184 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.895 1.962 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.011 3.241 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.958 2.041 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.464 1.120 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.691 0.985 -8.997 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.527 2.183 -10.014 1.00 0.00 H new ATOM 1160 N THR A 81 0.486 5.612 -10.531 1.00 0.00 N ATOM 1161 CA THR A 81 -0.759 6.334 -10.757 1.00 0.00 C ATOM 1162 C THR A 81 -1.870 5.813 -9.853 1.00 0.00 C ATOM 1163 O THR A 81 -2.178 4.620 -9.830 1.00 0.00 O ATOM 1164 CB THR A 81 -1.213 6.223 -12.226 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.272 6.881 -13.081 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.593 6.838 -12.413 1.00 0.00 C ATOM 0 H THR A 81 1.028 5.430 -11.376 1.00 0.00 H new ATOM 0 HA THR A 81 -0.565 7.380 -10.522 1.00 0.00 H new ATOM 0 HB THR A 81 -1.264 5.166 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.567 6.804 -14.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.893 6.748 -13.457 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.313 6.316 -11.783 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.563 7.891 -12.133 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.490 6.725 -9.089 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.577 6.380 -8.169 1.00 0.00 C ATOM 1176 C PRO A 82 -4.854 5.986 -8.903 1.00 0.00 C ATOM 1177 O PRO A 82 -5.549 6.835 -9.461 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.794 7.672 -7.376 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.311 8.755 -8.277 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.175 8.164 -9.065 1.00 0.00 C ATOM 0 HA PRO A 82 -3.328 5.519 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.845 7.808 -7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.238 7.659 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.108 9.097 -8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.979 9.620 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.124 8.581 -10.071 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.213 8.357 -8.590 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.158 4.692 -8.900 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.353 4.185 -9.563 1.00 0.00 C ATOM 1190 C VAL A 83 -7.599 4.438 -8.723 1.00 0.00 C ATOM 1191 O VAL A 83 -8.704 4.556 -9.252 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.238 2.676 -9.850 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.541 1.870 -8.595 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.167 2.277 -10.987 1.00 0.00 C ATOM 0 H VAL A 83 -4.592 3.975 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.442 4.722 -10.508 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.214 2.459 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.455 0.806 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.832 2.136 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.554 2.090 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.072 1.208 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.197 2.507 -10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.898 2.830 -11.887 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.413 4.522 -7.409 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.522 4.764 -6.494 1.00 0.00 C ATOM 1206 C VAL A 84 -8.355 6.094 -5.768 1.00 0.00 C ATOM 1207 O VAL A 84 -7.239 6.585 -5.600 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.647 3.636 -5.453 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.704 3.980 -4.416 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.969 2.314 -6.137 1.00 0.00 C ATOM 0 H VAL A 84 -6.505 4.426 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.429 4.794 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.691 3.531 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.778 3.171 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.426 4.902 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.667 4.114 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.054 1.528 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.912 2.404 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.172 2.063 -6.837 1.00 0.00 H new ATOM 1220 N SER A 85 -9.473 6.671 -5.337 1.00 0.00 N ATOM 1221 CA SER A 85 -9.451 7.946 -4.631 1.00 0.00 C ATOM 1222 C SER A 85 -9.243 7.735 -3.134 1.00 0.00 C ATOM 1223 O SER A 85 -9.981 6.987 -2.494 1.00 0.00 O ATOM 1224 CB SER A 85 -10.754 8.710 -4.873 1.00 0.00 C ATOM 1225 OG SER A 85 -10.747 9.339 -6.144 1.00 0.00 O ATOM 0 H SER A 85 -10.404 6.275 -5.465 1.00 0.00 H new ATOM 0 HA SER A 85 -8.617 8.532 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.599 8.025 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.890 9.459 -4.093 1.00 0.00 H new ATOM 0 HG SER A 85 -11.591 9.819 -6.276 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.233 8.401 -2.583 1.00 0.00 N ATOM 1232 CA ALA A 86 -7.929 8.288 -1.162 1.00 0.00 C ATOM 1233 C ALA A 86 -9.201 8.105 -0.341 1.00 0.00 C ATOM 1234 O ALA A 86 -9.227 7.327 0.612 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.165 9.516 -0.688 1.00 0.00 C ATOM 0 H ALA A 86 -7.612 9.024 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.305 7.406 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.944 9.419 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.233 9.602 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.770 10.407 -0.853 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.252 8.826 -0.717 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.526 8.743 -0.015 1.00 0.00 C ATOM 1243 C GLN A 87 -12.120 7.342 -0.126 1.00 0.00 C ATOM 1244 O GLN A 87 -12.458 6.719 0.879 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.509 9.773 -0.572 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.772 9.922 0.259 1.00 0.00 C ATOM 1247 CD GLN A 87 -13.639 10.979 1.338 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -13.769 12.174 1.072 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -13.379 10.543 2.566 1.00 0.00 N ATOM 0 H GLN A 87 -10.246 9.474 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.345 8.958 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.011 10.740 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.784 9.488 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.605 10.179 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.013 8.965 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.279 9.543 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.279 11.208 3.333 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.243 6.855 -1.356 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.794 5.528 -1.601 1.00 0.00 C ATOM 1260 C ALA A 88 -12.045 4.467 -0.801 1.00 0.00 C ATOM 1261 O ALA A 88 -12.654 3.570 -0.216 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.749 5.202 -3.086 1.00 0.00 C ATOM 0 H ALA A 88 -11.968 7.360 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.833 5.527 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.164 4.208 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.335 5.937 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.716 5.227 -3.433 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.721 4.574 -0.780 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.887 3.625 -0.051 1.00 0.00 C ATOM 1270 C VAL A 89 -10.371 3.459 1.385 1.00 0.00 C ATOM 1271 O VAL A 89 -10.675 2.350 1.825 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.412 4.068 -0.036 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.601 3.193 0.908 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.832 4.029 -1.442 1.00 0.00 C ATOM 0 H VAL A 89 -10.202 5.309 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.966 2.670 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.362 5.095 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.562 3.521 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.005 3.275 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.655 2.155 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.789 4.345 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.893 3.013 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.398 4.701 -2.088 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.442 4.569 2.113 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.889 4.548 3.500 1.00 0.00 C ATOM 1286 C VAL A 90 -12.371 4.198 3.593 1.00 0.00 C ATOM 1287 O VAL A 90 -12.761 3.301 4.340 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.649 5.903 4.189 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.074 5.844 5.648 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.190 6.312 4.066 1.00 0.00 C ATOM 0 H VAL A 90 -10.195 5.495 1.764 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.304 3.783 4.010 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.257 6.657 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.897 6.811 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.135 5.600 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.496 5.078 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.039 7.272 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.560 5.558 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.924 6.399 3.013 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.191 4.911 2.829 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.629 4.674 2.823 1.00 0.00 C ATOM 1302 C ALA A 91 -14.943 3.212 2.527 1.00 0.00 C ATOM 1303 O ALA A 91 -16.065 2.753 2.737 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.308 5.579 1.806 1.00 0.00 C ATOM 0 H ALA A 91 -12.884 5.658 2.206 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.015 4.907 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.382 5.392 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.120 6.621 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.909 5.373 0.813 1.00 0.00 H new ATOM 1310 N GLY A 92 -13.944 2.483 2.039 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.136 1.080 1.721 1.00 0.00 C ATOM 1312 C GLY A 92 -15.276 0.856 0.748 1.00 0.00 C ATOM 1313 O GLY A 92 -15.710 -0.277 0.541 1.00 0.00 O ATOM 0 H GLY A 92 -13.005 2.839 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.216 0.678 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.332 0.526 2.639 1.00 0.00 H new ATOM 1317 N SER A 93 -15.762 1.939 0.149 1.00 0.00 N ATOM 1318 CA SER A 93 -16.863 1.856 -0.804 1.00 0.00 C ATOM 1319 C SER A 93 -16.457 1.047 -2.033 1.00 0.00 C ATOM 1320 O SER A 93 -17.214 0.200 -2.509 1.00 0.00 O ATOM 1321 CB SER A 93 -17.307 3.258 -1.226 1.00 0.00 C ATOM 1322 OG SER A 93 -16.429 3.799 -2.198 1.00 0.00 O ATOM 0 H SER A 93 -15.411 2.884 0.307 1.00 0.00 H new ATOM 0 HA SER A 93 -17.696 1.350 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.319 3.217 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.337 3.911 -0.354 1.00 0.00 H new ATOM 0 HG SER A 93 -16.735 4.695 -2.453 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.259 1.315 -2.540 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.752 0.612 -3.713 1.00 0.00 C ATOM 1330 C ASP A 94 -13.604 -0.319 -3.334 1.00 0.00 C ATOM 1331 O ASP A 94 -12.430 0.045 -3.400 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.285 1.613 -4.771 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.281 2.736 -4.985 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.421 2.445 -5.405 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -14.920 3.905 -4.734 1.00 0.00 O ATOM 0 H ASP A 94 -14.621 2.013 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.563 0.011 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.326 2.034 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.122 1.091 -5.714 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.950 -1.549 -2.926 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.962 -2.557 -2.528 1.00 0.00 C ATOM 1342 C PRO A 95 -12.149 -3.071 -3.711 1.00 0.00 C ATOM 1343 O PRO A 95 -10.988 -3.455 -3.560 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.820 -3.681 -1.941 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.148 -3.527 -2.598 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.330 -2.051 -2.823 1.00 0.00 C ATOM 0 HA PRO A 95 -12.227 -2.154 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.387 -4.659 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.902 -3.592 -0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.183 -4.073 -3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.943 -3.927 -1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.899 -1.850 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.868 -1.582 -1.999 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.764 -3.076 -4.889 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.097 -3.543 -6.098 1.00 0.00 C ATOM 1356 C LEU A 96 -10.942 -2.618 -6.475 1.00 0.00 C ATOM 1357 O LEU A 96 -9.815 -3.068 -6.678 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.095 -3.628 -7.255 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.940 -4.900 -7.319 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.222 -4.730 -6.520 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.254 -5.259 -8.765 1.00 0.00 C ATOM 0 H LEU A 96 -13.724 -2.762 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.694 -4.536 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.767 -2.772 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.545 -3.534 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.368 -5.716 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.811 -5.646 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.977 -4.521 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.799 -3.901 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.856 -6.167 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.807 -4.443 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.324 -5.424 -9.309 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.233 -1.324 -6.564 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.209 -0.357 -6.914 1.00 0.00 C ATOM 1375 C GLY A 97 -8.937 -0.544 -6.110 1.00 0.00 C ATOM 1376 O GLY A 97 -7.846 -0.648 -6.675 1.00 0.00 O ATOM 0 H GLY A 97 -12.159 -0.928 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.980 -0.443 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.593 0.650 -6.751 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.074 -0.584 -4.790 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.926 -0.757 -3.907 1.00 0.00 C ATOM 1382 C LEU A 98 -7.098 -1.970 -4.322 1.00 0.00 C ATOM 1383 O LEU A 98 -5.906 -1.852 -4.608 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.390 -0.915 -2.458 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.291 -1.156 -1.422 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.280 -0.021 -1.444 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.893 -1.312 -0.033 1.00 0.00 C ATOM 0 H LEU A 98 -9.968 -0.499 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.301 0.132 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.939 -0.017 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.093 -1.746 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.773 -2.081 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.505 -0.209 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.826 0.043 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.783 0.919 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.097 -1.483 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.436 -0.405 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.578 -2.160 -0.026 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.737 -3.134 -4.353 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.061 -4.367 -4.737 1.00 0.00 C ATOM 1401 C ILE A 99 -6.233 -4.169 -6.002 1.00 0.00 C ATOM 1402 O ILE A 99 -5.053 -4.515 -6.044 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.065 -5.512 -4.967 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.774 -5.870 -3.659 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.357 -6.729 -5.543 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.043 -6.667 -3.858 1.00 0.00 C ATOM 0 H ILE A 99 -8.723 -3.249 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.401 -4.635 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.815 -5.179 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.091 -6.441 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.012 -4.952 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.080 -7.530 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.895 -6.465 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.588 -7.065 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.492 -6.885 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.744 -6.090 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.809 -7.602 -4.368 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.860 -3.608 -7.031 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.181 -3.361 -8.296 1.00 0.00 C ATOM 1420 C ALA A 100 -5.038 -2.366 -8.120 1.00 0.00 C ATOM 1421 O ALA A 100 -3.961 -2.537 -8.692 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.170 -2.853 -9.336 1.00 0.00 C ATOM 0 H ALA A 100 -7.837 -3.316 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.758 -4.304 -8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.649 -2.673 -10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.950 -3.598 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.620 -1.924 -8.987 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.280 -1.329 -7.328 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.271 -0.306 -7.079 1.00 0.00 C ATOM 1430 C TYR A 101 -2.975 -0.931 -6.570 1.00 0.00 C ATOM 1431 O TYR A 101 -1.901 -0.699 -7.126 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.790 0.716 -6.066 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.800 1.815 -5.752 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.184 2.533 -6.769 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.479 2.134 -4.438 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.278 3.537 -6.489 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.576 3.138 -4.148 1.00 0.00 C ATOM 1438 CZ TYR A 101 -1.978 3.836 -5.175 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.076 4.835 -4.891 1.00 0.00 O ATOM 0 H TYR A 101 -6.166 -1.174 -6.847 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.063 0.200 -8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.706 1.163 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.051 0.199 -5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.418 2.302 -7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.943 1.588 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.807 4.084 -7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.340 3.375 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.977 4.920 -3.920 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.085 -1.723 -5.510 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.923 -2.383 -4.924 1.00 0.00 C ATOM 1451 C LEU A 102 -1.168 -3.190 -5.976 1.00 0.00 C ATOM 1452 O LEU A 102 0.061 -3.163 -6.028 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.355 -3.296 -3.776 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.183 -2.639 -2.671 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -4.036 -3.676 -1.957 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.277 -1.918 -1.683 1.00 0.00 C ATOM 0 H LEU A 102 -3.967 -1.924 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.256 -1.614 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.932 -4.122 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.461 -3.727 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.846 -1.904 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.619 -3.191 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.710 -4.147 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.391 -4.434 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.883 -1.456 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.589 -2.633 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.709 -1.148 -2.205 1.00 0.00 H new ATOM 1468 N SER A 103 -1.913 -3.905 -6.812 1.00 0.00 N ATOM 1469 CA SER A 103 -1.315 -4.721 -7.862 1.00 0.00 C ATOM 1470 C SER A 103 -0.173 -3.975 -8.546 1.00 0.00 C ATOM 1471 O SER A 103 0.822 -4.577 -8.951 1.00 0.00 O ATOM 1472 CB SER A 103 -2.370 -5.116 -8.896 1.00 0.00 C ATOM 1473 OG SER A 103 -1.888 -6.134 -9.755 1.00 0.00 O ATOM 0 H SER A 103 -2.932 -3.936 -6.783 1.00 0.00 H new ATOM 0 HA SER A 103 -0.913 -5.623 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.270 -5.461 -8.388 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.651 -4.243 -9.484 1.00 0.00 H new ATOM 0 HG SER A 103 -2.582 -6.369 -10.405 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.323 -2.660 -8.670 1.00 0.00 N ATOM 1480 CA HIS A 104 0.695 -1.831 -9.303 1.00 0.00 C ATOM 1481 C HIS A 104 1.994 -1.857 -8.502 1.00 0.00 C ATOM 1482 O HIS A 104 3.079 -2.006 -9.065 1.00 0.00 O ATOM 1483 CB HIS A 104 0.196 -0.391 -9.442 1.00 0.00 C ATOM 1484 CG HIS A 104 -0.999 -0.255 -10.333 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.313 0.911 -10.999 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -1.961 -1.147 -10.666 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.416 0.730 -11.703 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.830 -0.511 -11.519 1.00 0.00 N ATOM 0 H HIS A 104 -1.140 -2.146 -8.340 1.00 0.00 H new ATOM 0 HA HIS A 104 0.893 -2.237 -10.295 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.052 -0.004 -8.454 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.003 0.228 -9.833 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.032 -2.169 -10.324 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.898 1.471 -12.324 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.659 -0.929 -11.941 1.00 0.00 H new ATOM 1497 N PHE A 105 1.874 -1.709 -7.187 1.00 0.00 N ATOM 1498 CA PHE A 105 3.039 -1.714 -6.309 1.00 0.00 C ATOM 1499 C PHE A 105 3.828 -3.011 -6.460 1.00 0.00 C ATOM 1500 O PHE A 105 5.024 -2.993 -6.751 1.00 0.00 O ATOM 1501 CB PHE A 105 2.606 -1.534 -4.853 1.00 0.00 C ATOM 1502 CG PHE A 105 2.234 -0.121 -4.508 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.982 0.378 -4.830 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.136 0.710 -3.864 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.636 1.678 -4.514 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.796 2.010 -3.545 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.544 2.496 -3.872 1.00 0.00 C ATOM 0 H PHE A 105 0.983 -1.584 -6.706 1.00 0.00 H new ATOM 0 HA PHE A 105 3.683 -0.882 -6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.755 -2.184 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.416 -1.858 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.268 -0.257 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.117 0.337 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.344 2.054 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.508 2.646 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.277 3.513 -3.626 1.00 0.00 H new ATOM 1517 N HIS A 106 3.150 -4.137 -6.260 1.00 0.00 N ATOM 1518 CA HIS A 106 3.787 -5.444 -6.373 1.00 0.00 C ATOM 1519 C HIS A 106 4.260 -5.696 -7.802 1.00 0.00 C ATOM 1520 O HIS A 106 5.452 -5.884 -8.047 1.00 0.00 O ATOM 1521 CB HIS A 106 2.819 -6.546 -5.943 1.00 0.00 C ATOM 1522 CG HIS A 106 3.474 -7.879 -5.753 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.767 -9.060 -5.668 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.780 -8.215 -5.633 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.610 -10.065 -5.502 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.838 -9.578 -5.478 1.00 0.00 N ATOM 0 H HIS A 106 2.159 -4.170 -6.019 1.00 0.00 H new ATOM 0 HA HIS A 106 4.655 -5.456 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.337 -6.251 -5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.033 -6.640 -6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.620 -7.537 -5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.341 -11.106 -5.403 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.691 -10.126 -5.363 1.00 0.00 H new ATOM 1535 N SER A 107 3.319 -5.697 -8.740 1.00 0.00 N ATOM 1536 CA SER A 107 3.640 -5.930 -10.144 1.00 0.00 C ATOM 1537 C SER A 107 5.000 -5.337 -10.496 1.00 0.00 C ATOM 1538 O SER A 107 5.783 -5.942 -11.228 1.00 0.00 O ATOM 1539 CB SER A 107 2.559 -5.326 -11.043 1.00 0.00 C ATOM 1540 OG SER A 107 2.819 -5.600 -12.408 1.00 0.00 O ATOM 0 H SER A 107 2.329 -5.539 -8.554 1.00 0.00 H new ATOM 0 HA SER A 107 3.679 -7.007 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.585 -5.730 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.513 -4.248 -10.888 1.00 0.00 H new ATOM 0 HG SER A 107 2.113 -5.205 -12.961 1.00 0.00 H new ATOM 1546 N ALA A 108 5.274 -4.147 -9.969 1.00 0.00 N ATOM 1547 CA ALA A 108 6.540 -3.473 -10.225 1.00 0.00 C ATOM 1548 C ALA A 108 7.620 -3.943 -9.257 1.00 0.00 C ATOM 1549 O ALA A 108 8.733 -4.275 -9.665 1.00 0.00 O ATOM 1550 CB ALA A 108 6.363 -1.965 -10.129 1.00 0.00 C ATOM 0 H ALA A 108 4.636 -3.631 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 108 6.860 -3.728 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.317 -1.474 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.630 -1.637 -10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.016 -1.702 -9.130 1.00 0.00 H new ATOM 1556 N PHE A 109 7.284 -3.968 -7.971 1.00 0.00 N ATOM 1557 CA PHE A 109 8.226 -4.396 -6.944 1.00 0.00 C ATOM 1558 C PHE A 109 8.157 -5.907 -6.738 1.00 0.00 C ATOM 1559 O PHE A 109 8.430 -6.411 -5.648 1.00 0.00 O ATOM 1560 CB PHE A 109 7.936 -3.678 -5.624 1.00 0.00 C ATOM 1561 CG PHE A 109 8.310 -2.223 -5.639 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.623 -1.326 -6.441 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.348 -1.753 -4.852 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.964 0.013 -6.458 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.694 -0.415 -4.864 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.001 0.469 -5.668 1.00 0.00 C ATOM 0 H PHE A 109 6.367 -3.697 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 109 9.231 -4.137 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.874 -3.770 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.479 -4.176 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.811 -1.678 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.893 -2.440 -4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.421 0.702 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.505 -0.061 -4.245 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.270 1.515 -5.679 1.00 0.00 H new ATOM 1576 N LYS A 110 7.789 -6.625 -7.794 1.00 0.00 N ATOM 1577 CA LYS A 110 7.684 -8.078 -7.732 1.00 0.00 C ATOM 1578 C LYS A 110 9.003 -8.701 -7.284 1.00 0.00 C ATOM 1579 O LYS A 110 9.014 -9.702 -6.567 1.00 0.00 O ATOM 1580 CB LYS A 110 7.283 -8.639 -9.099 1.00 0.00 C ATOM 1581 CG LYS A 110 5.781 -8.751 -9.293 1.00 0.00 C ATOM 1582 CD LYS A 110 5.257 -10.096 -8.819 1.00 0.00 C ATOM 1583 CE LYS A 110 3.807 -10.305 -9.230 1.00 0.00 C ATOM 1584 NZ LYS A 110 3.448 -11.749 -9.285 1.00 0.00 N ATOM 0 H LYS A 110 7.558 -6.224 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 110 6.916 -8.331 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.695 -8.000 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.732 -9.625 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.282 -7.951 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.538 -8.616 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.873 -10.894 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.342 -10.159 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.152 -9.795 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.637 -9.851 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.452 -11.849 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.055 -12.232 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.585 -12.177 -8.347 1.00 0.00 H new