USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 707 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 75 THR OG1 : rot 147:sc= 0.227 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.279 K(o=0.51,f=-0.23) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.775 K(o=-0.11,f=-6.7!) USER MOD Set 2.2: A 92 SER OG : rot -90:sc= -0.887 USER MOD Single : A 15 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 21 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.014) USER MOD Single : A 40 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-5!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -49:sc= 0.158 USER MOD Single : A 64 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.01) USER MOD Single : A 66 ASN : amide:sc= -0.0824 X(o=-0.082,f=0) USER MOD Single : A 71 MET CE :methyl -135:sc= -0.988 (180deg=-6.23!) USER MOD Single : A 77 MET CE :methyl -162:sc= -3.08 (180deg=-3.83!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.314 F(o=-1,f=-0.31) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.3!) USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.489) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -7.997 -6.370 -8.506 1.00 0.00 N ATOM 130 CA ILE A 12 -6.991 -5.488 -9.084 1.00 0.00 C ATOM 131 C ILE A 12 -6.253 -4.711 -7.999 1.00 0.00 C ATOM 132 O ILE A 12 -6.777 -3.742 -7.449 1.00 0.00 O ATOM 133 CB ILE A 12 -7.619 -4.491 -10.076 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.595 -5.212 -11.009 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.534 -3.787 -10.878 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.300 -4.288 -11.977 1.00 0.00 C ATOM 0 HA ILE A 12 -6.284 -6.123 -9.618 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.172 -3.740 -9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.052 -5.971 -11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.341 -5.734 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.994 -3.086 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.874 -3.245 -10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.956 -4.525 -11.434 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.976 -4.867 -12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.871 -3.545 -11.420 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.563 -3.785 -12.603 1.00 0.00 H new ATOM 148 N TRP A 13 -5.033 -5.141 -7.698 1.00 0.00 N ATOM 149 CA TRP A 13 -4.221 -4.484 -6.680 1.00 0.00 C ATOM 150 C TRP A 13 -3.587 -3.210 -7.228 1.00 0.00 C ATOM 151 O TRP A 13 -2.651 -3.264 -8.024 1.00 0.00 O ATOM 152 CB TRP A 13 -3.132 -5.433 -6.176 1.00 0.00 C ATOM 153 CG TRP A 13 -3.672 -6.605 -5.414 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.278 -7.713 -5.934 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.657 -6.783 -3.993 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.640 -8.569 -4.922 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.270 -8.022 -3.722 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.185 -6.017 -2.924 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.421 -8.510 -2.427 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.336 -6.503 -1.639 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.949 -7.739 -1.399 1.00 0.00 C ATOM 0 H TRP A 13 -4.584 -5.941 -8.144 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.873 -4.215 -5.849 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.555 -5.796 -7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.444 -4.879 -5.537 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.448 -7.890 -6.986 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.109 -9.467 -5.045 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.711 -5.063 -3.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.894 -9.463 -2.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.975 -5.919 -0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.051 -8.091 -0.383 1.00 0.00 H new ATOM 172 N GLU A 14 -4.104 -2.064 -6.795 1.00 0.00 N ATOM 173 CA GLU A 14 -3.588 -0.776 -7.243 1.00 0.00 C ATOM 174 C GLU A 14 -2.539 -0.242 -6.272 1.00 0.00 C ATOM 175 O GLU A 14 -2.668 -0.397 -5.058 1.00 0.00 O ATOM 176 CB GLU A 14 -4.729 0.234 -7.385 1.00 0.00 C ATOM 177 CG GLU A 14 -5.790 -0.182 -8.389 1.00 0.00 C ATOM 178 CD GLU A 14 -5.518 0.353 -9.781 1.00 0.00 C ATOM 179 OE1 GLU A 14 -4.334 0.399 -10.178 1.00 0.00 O ATOM 180 OE2 GLU A 14 -6.487 0.726 -10.474 1.00 0.00 O ATOM 0 H GLU A 14 -4.879 -2.002 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.117 -0.921 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.199 0.378 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.315 1.197 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.843 -1.270 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.764 0.173 -8.051 1.00 0.00 H new ATOM 187 N GLN A 15 -1.502 0.385 -6.817 1.00 0.00 N ATOM 188 CA GLN A 15 -0.430 0.941 -5.999 1.00 0.00 C ATOM 189 C GLN A 15 -0.685 2.413 -5.694 1.00 0.00 C ATOM 190 O GLN A 15 -1.109 3.173 -6.565 1.00 0.00 O ATOM 191 CB GLN A 15 0.916 0.780 -6.708 1.00 0.00 C ATOM 192 CG GLN A 15 1.645 -0.504 -6.345 1.00 0.00 C ATOM 193 CD GLN A 15 2.604 -0.957 -7.429 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.412 -0.657 -8.608 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.643 -1.682 -7.035 1.00 0.00 N ATOM 0 H GLN A 15 -1.381 0.521 -7.821 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.404 0.393 -5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.755 0.804 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.551 1.631 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.196 -0.354 -5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.915 -1.292 -6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.763 -1.907 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.322 -2.014 -7.720 1.00 0.00 H new ATOM 204 N TYR A 16 -0.424 2.808 -4.453 1.00 0.00 N ATOM 205 CA TYR A 16 -0.628 4.190 -4.033 1.00 0.00 C ATOM 206 C TYR A 16 0.655 4.777 -3.453 1.00 0.00 C ATOM 207 O TYR A 16 1.075 4.418 -2.352 1.00 0.00 O ATOM 208 CB TYR A 16 -1.752 4.269 -2.998 1.00 0.00 C ATOM 209 CG TYR A 16 -3.098 3.833 -3.532 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.380 2.490 -3.746 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.087 4.764 -3.822 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.608 2.086 -4.234 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.318 4.370 -4.309 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.574 3.031 -4.514 1.00 0.00 C ATOM 215 OH TYR A 16 -6.798 2.634 -5.000 1.00 0.00 O ATOM 0 H TYR A 16 -0.071 2.192 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.909 4.773 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.491 3.646 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.829 5.294 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.626 1.748 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.890 5.814 -3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.811 1.037 -4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.076 5.107 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.364 3.421 -5.144 1.00 0.00 H new ATOM 225 N THR A 17 1.274 5.685 -4.201 1.00 0.00 N ATOM 226 CA THR A 17 2.509 6.323 -3.764 1.00 0.00 C ATOM 227 C THR A 17 2.227 7.659 -3.085 1.00 0.00 C ATOM 228 O THR A 17 2.032 8.676 -3.751 1.00 0.00 O ATOM 229 CB THR A 17 3.471 6.553 -4.944 1.00 0.00 C ATOM 230 OG1 THR A 17 3.698 5.322 -5.638 1.00 0.00 O ATOM 231 CG2 THR A 17 4.797 7.120 -4.459 1.00 0.00 C ATOM 0 H THR A 17 0.939 5.995 -5.113 1.00 0.00 H new ATOM 0 HA THR A 17 2.978 5.647 -3.049 1.00 0.00 H new ATOM 0 HB THR A 17 3.013 7.273 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.309 5.477 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.460 7.274 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.624 8.072 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.258 6.421 -3.762 1.00 0.00 H new ATOM 239 N VAL A 18 2.207 7.650 -1.756 1.00 0.00 N ATOM 240 CA VAL A 18 1.951 8.862 -0.987 1.00 0.00 C ATOM 241 C VAL A 18 3.143 9.215 -0.105 1.00 0.00 C ATOM 242 O VAL A 18 3.861 8.335 0.370 1.00 0.00 O ATOM 243 CB VAL A 18 0.698 8.711 -0.103 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.557 9.045 -0.894 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.618 7.305 0.471 1.00 0.00 C ATOM 0 H VAL A 18 2.365 6.817 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 18 1.785 9.664 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 18 0.773 9.414 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.432 8.933 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.499 10.073 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.641 8.369 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.273 7.216 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.566 6.582 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.503 7.108 1.075 1.00 0.00 H new ATOM 255 N THR A 19 3.347 10.511 0.113 1.00 0.00 N ATOM 256 CA THR A 19 4.453 10.982 0.938 1.00 0.00 C ATOM 257 C THR A 19 3.958 11.464 2.297 1.00 0.00 C ATOM 258 O THR A 19 2.987 12.217 2.384 1.00 0.00 O ATOM 259 CB THR A 19 5.221 12.125 0.249 1.00 0.00 C ATOM 260 OG1 THR A 19 4.363 12.805 -0.674 1.00 0.00 O ATOM 261 CG2 THR A 19 6.442 11.592 -0.485 1.00 0.00 C ATOM 0 H THR A 19 2.761 11.253 -0.270 1.00 0.00 H new ATOM 0 HA THR A 19 5.126 10.136 1.078 1.00 0.00 H new ATOM 0 HB THR A 19 5.555 12.823 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.858 13.532 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.968 12.418 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.107 11.101 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.127 10.875 -1.243 1.00 0.00 H new ATOM 269 N LEU A 20 4.630 11.026 3.356 1.00 0.00 N ATOM 270 CA LEU A 20 4.259 11.414 4.712 1.00 0.00 C ATOM 271 C LEU A 20 5.271 12.396 5.294 1.00 0.00 C ATOM 272 O LEU A 20 6.453 12.355 4.956 1.00 0.00 O ATOM 273 CB LEU A 20 4.158 10.178 5.608 1.00 0.00 C ATOM 274 CG LEU A 20 3.399 8.986 5.024 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.872 7.688 5.659 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.900 9.161 5.218 1.00 0.00 C ATOM 0 H LEU A 20 5.435 10.402 3.302 1.00 0.00 H new ATOM 0 HA LEU A 20 3.287 11.905 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.167 9.853 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.675 10.469 6.541 1.00 0.00 H new ATOM 0 HG LEU A 20 3.604 8.939 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.320 6.851 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.937 7.556 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.698 7.725 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.376 8.303 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.677 9.235 6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.572 10.070 4.714 1.00 0.00 H new ATOM 288 N GLN A 21 4.797 13.276 6.170 1.00 0.00 N ATOM 289 CA GLN A 21 5.661 14.267 6.800 1.00 0.00 C ATOM 290 C GLN A 21 5.801 13.997 8.294 1.00 0.00 C ATOM 291 O GLN A 21 4.807 13.915 9.017 1.00 0.00 O ATOM 292 CB GLN A 21 5.108 15.675 6.573 1.00 0.00 C ATOM 293 CG GLN A 21 4.791 15.977 5.118 1.00 0.00 C ATOM 294 CD GLN A 21 4.518 17.448 4.873 1.00 0.00 C ATOM 295 OE1 GLN A 21 4.725 18.284 5.752 1.00 0.00 O ATOM 296 NE2 GLN A 21 4.050 17.772 3.673 1.00 0.00 N ATOM 0 H GLN A 21 3.820 13.323 6.459 1.00 0.00 H new ATOM 0 HA GLN A 21 6.648 14.194 6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.203 15.801 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.832 16.404 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.626 15.658 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.923 15.394 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.893 17.046 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.848 18.747 3.451 1.00 0.00 H new ATOM 305 N LYS A 22 7.040 13.859 8.753 1.00 0.00 N ATOM 306 CA LYS A 22 7.311 13.599 10.162 1.00 0.00 C ATOM 307 C LYS A 22 6.694 14.680 11.043 1.00 0.00 C ATOM 308 O LYS A 22 7.282 15.742 11.242 1.00 0.00 O ATOM 309 CB LYS A 22 8.820 13.526 10.407 1.00 0.00 C ATOM 310 CG LYS A 22 9.193 12.815 11.697 1.00 0.00 C ATOM 311 CD LYS A 22 10.365 11.871 11.494 1.00 0.00 C ATOM 312 CE LYS A 22 9.898 10.437 11.293 1.00 0.00 C ATOM 313 NZ LYS A 22 9.902 9.669 12.569 1.00 0.00 N ATOM 0 H LYS A 22 7.874 13.923 8.169 1.00 0.00 H new ATOM 0 HA LYS A 22 6.860 12.642 10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.291 13.012 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.225 14.538 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.446 13.552 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.334 12.255 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.945 12.191 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.028 11.921 12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.892 10.438 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.545 9.942 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.578 8.697 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.866 9.646 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.265 10.127 13.252 1.00 0.00 H new ATOM 327 N ASP A 23 5.506 14.401 11.569 1.00 0.00 N ATOM 328 CA ASP A 23 4.810 15.349 12.431 1.00 0.00 C ATOM 329 C ASP A 23 5.723 15.835 13.553 1.00 0.00 C ATOM 330 O ASP A 23 6.907 15.498 13.593 1.00 0.00 O ATOM 331 CB ASP A 23 3.554 14.707 13.021 1.00 0.00 C ATOM 332 CG ASP A 23 2.493 15.730 13.376 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.249 16.640 12.557 1.00 0.00 O ATOM 334 OD2 ASP A 23 1.907 15.622 14.474 1.00 0.00 O ATOM 0 H ASP A 23 5.005 13.526 11.413 1.00 0.00 H new ATOM 0 HA ASP A 23 4.520 16.208 11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.143 13.995 12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.823 14.142 13.914 1.00 0.00 H new ATOM 339 N SER A 24 5.165 16.628 14.461 1.00 0.00 N ATOM 340 CA SER A 24 5.930 17.165 15.581 1.00 0.00 C ATOM 341 C SER A 24 6.843 16.097 16.176 1.00 0.00 C ATOM 342 O SER A 24 8.053 16.099 15.947 1.00 0.00 O ATOM 343 CB SER A 24 4.987 17.704 16.658 1.00 0.00 C ATOM 344 OG SER A 24 4.191 18.763 16.156 1.00 0.00 O ATOM 0 H SER A 24 4.186 16.913 14.444 1.00 0.00 H new ATOM 0 HA SER A 24 6.549 17.981 15.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.344 16.901 17.018 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.567 18.054 17.512 1.00 0.00 H new ATOM 0 HG SER A 24 3.596 19.089 16.863 1.00 0.00 H new ATOM 350 N LYS A 25 6.255 15.184 16.942 1.00 0.00 N ATOM 351 CA LYS A 25 7.012 14.109 17.570 1.00 0.00 C ATOM 352 C LYS A 25 6.646 12.758 16.963 1.00 0.00 C ATOM 353 O LYS A 25 7.506 12.047 16.443 1.00 0.00 O ATOM 354 CB LYS A 25 6.754 14.088 19.078 1.00 0.00 C ATOM 355 CG LYS A 25 7.363 15.268 19.816 1.00 0.00 C ATOM 356 CD LYS A 25 8.807 14.996 20.205 1.00 0.00 C ATOM 357 CE LYS A 25 9.603 16.286 20.327 1.00 0.00 C ATOM 358 NZ LYS A 25 9.511 16.868 21.695 1.00 0.00 N ATOM 0 H LYS A 25 5.255 15.168 17.143 1.00 0.00 H new ATOM 0 HA LYS A 25 8.071 14.293 17.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.678 14.076 19.254 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.155 13.164 19.494 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.316 16.156 19.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.778 15.480 20.711 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.835 14.459 21.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.271 14.350 19.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.648 16.092 20.084 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.236 17.009 19.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.067 17.746 21.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.517 17.077 21.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.885 16.188 22.387 1.00 0.00 H new ATOM 372 N ARG A 26 5.365 12.412 17.030 1.00 0.00 N ATOM 373 CA ARG A 26 4.886 11.147 16.487 1.00 0.00 C ATOM 374 C ARG A 26 5.496 10.879 15.114 1.00 0.00 C ATOM 375 O ARG A 26 5.840 9.744 14.787 1.00 0.00 O ATOM 376 CB ARG A 26 3.359 11.157 16.384 1.00 0.00 C ATOM 377 CG ARG A 26 2.660 11.332 17.723 1.00 0.00 C ATOM 378 CD ARG A 26 1.284 10.685 17.721 1.00 0.00 C ATOM 379 NE ARG A 26 0.850 10.320 19.067 1.00 0.00 N ATOM 380 CZ ARG A 26 1.348 9.292 19.746 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.292 8.532 19.208 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.901 9.023 20.967 1.00 0.00 N ATOM 0 H ARG A 26 4.640 12.990 17.455 1.00 0.00 H new ATOM 0 HA ARG A 26 5.193 10.350 17.165 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.053 11.962 15.716 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.028 10.223 15.930 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.269 10.892 18.513 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.564 12.394 17.949 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.561 11.372 17.280 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.303 9.795 17.092 1.00 0.00 H new ATOM 0 HE ARG A 26 0.125 10.885 19.510 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.638 8.736 18.270 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.672 7.744 19.732 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.175 9.606 21.384 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.284 8.234 21.488 1.00 0.00 H new ATOM 396 N GLY A 27 5.628 11.933 14.315 1.00 0.00 N ATOM 397 CA GLY A 27 6.197 11.790 12.987 1.00 0.00 C ATOM 398 C GLY A 27 5.196 11.257 11.982 1.00 0.00 C ATOM 399 O GLY A 27 4.019 11.619 12.014 1.00 0.00 O ATOM 0 H GLY A 27 5.351 12.883 14.563 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.568 12.757 12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.054 11.118 13.033 1.00 0.00 H new ATOM 403 N PHE A 28 5.662 10.394 11.085 1.00 0.00 N ATOM 404 CA PHE A 28 4.800 9.812 10.063 1.00 0.00 C ATOM 405 C PHE A 28 3.529 9.240 10.686 1.00 0.00 C ATOM 406 O PHE A 28 2.535 9.014 9.997 1.00 0.00 O ATOM 407 CB PHE A 28 5.546 8.715 9.301 1.00 0.00 C ATOM 408 CG PHE A 28 6.943 9.102 8.908 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.208 10.361 8.395 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.990 8.206 9.052 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.493 10.719 8.031 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.277 8.559 8.690 1.00 0.00 C ATOM 413 CZ PHE A 28 9.528 9.818 8.180 1.00 0.00 C ATOM 0 H PHE A 28 6.632 10.082 11.045 1.00 0.00 H new ATOM 0 HA PHE A 28 4.519 10.602 9.366 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.586 7.818 9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.982 8.459 8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.402 11.071 8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.799 7.221 9.451 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.687 11.703 7.630 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.085 7.851 8.806 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.533 10.097 7.898 1.00 0.00 H new ATOM 423 N GLY A 29 3.571 9.009 11.995 1.00 0.00 N ATOM 424 CA GLY A 29 2.418 8.465 12.689 1.00 0.00 C ATOM 425 C GLY A 29 1.924 7.173 12.069 1.00 0.00 C ATOM 426 O GLY A 29 0.742 7.043 11.748 1.00 0.00 O ATOM 0 H GLY A 29 4.382 9.189 12.587 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.677 8.288 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.613 9.200 12.680 1.00 0.00 H new ATOM 430 N ILE A 30 2.830 6.216 11.898 1.00 0.00 N ATOM 431 CA ILE A 30 2.480 4.929 11.311 1.00 0.00 C ATOM 432 C ILE A 30 3.242 3.793 11.984 1.00 0.00 C ATOM 433 O ILE A 30 4.285 4.011 12.600 1.00 0.00 O ATOM 434 CB ILE A 30 2.769 4.901 9.799 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.224 5.290 9.529 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.820 5.834 9.061 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.738 4.814 8.189 1.00 0.00 C ATOM 0 H ILE A 30 3.812 6.308 12.158 1.00 0.00 H new ATOM 0 HA ILE A 30 1.411 4.791 11.470 1.00 0.00 H new ATOM 0 HB ILE A 30 2.609 3.887 9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.317 6.375 9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.854 4.879 10.318 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.037 5.803 7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.791 5.516 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.951 6.852 9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.775 5.125 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.677 3.727 8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.132 5.246 7.393 1.00 0.00 H new ATOM 449 N ALA A 31 2.715 2.579 11.861 1.00 0.00 N ATOM 450 CA ALA A 31 3.348 1.407 12.453 1.00 0.00 C ATOM 451 C ALA A 31 3.165 0.178 11.570 1.00 0.00 C ATOM 452 O ALA A 31 2.063 -0.100 11.096 1.00 0.00 O ATOM 453 CB ALA A 31 2.785 1.149 13.843 1.00 0.00 C ATOM 0 H ALA A 31 1.851 2.382 11.356 1.00 0.00 H new ATOM 0 HA ALA A 31 4.417 1.606 12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.267 0.271 14.273 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.974 2.014 14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.711 0.977 13.774 1.00 0.00 H new ATOM 459 N VAL A 32 4.252 -0.555 11.350 1.00 0.00 N ATOM 460 CA VAL A 32 4.210 -1.755 10.524 1.00 0.00 C ATOM 461 C VAL A 32 4.221 -3.015 11.382 1.00 0.00 C ATOM 462 O VAL A 32 4.781 -3.027 12.478 1.00 0.00 O ATOM 463 CB VAL A 32 5.399 -1.804 9.545 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.237 -0.756 8.455 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.711 -1.611 10.291 1.00 0.00 C ATOM 0 H VAL A 32 5.172 -0.338 11.733 1.00 0.00 H new ATOM 0 HA VAL A 32 3.281 -1.715 9.955 1.00 0.00 H new ATOM 0 HB VAL A 32 5.417 -2.786 9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.086 -0.806 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.317 -0.945 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.192 0.235 8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.540 -1.648 9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.705 -0.643 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.829 -2.403 11.031 1.00 0.00 H new ATOM 475 N SER A 33 3.599 -4.075 10.876 1.00 0.00 N ATOM 476 CA SER A 33 3.533 -5.340 11.598 1.00 0.00 C ATOM 477 C SER A 33 3.715 -6.519 10.647 1.00 0.00 C ATOM 478 O SER A 33 3.267 -6.482 9.502 1.00 0.00 O ATOM 479 CB SER A 33 2.196 -5.464 12.332 1.00 0.00 C ATOM 480 OG SER A 33 2.325 -6.266 13.493 1.00 0.00 O ATOM 0 H SER A 33 3.133 -4.083 9.968 1.00 0.00 H new ATOM 0 HA SER A 33 4.343 -5.356 12.328 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.836 -4.473 12.609 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.451 -5.899 11.666 1.00 0.00 H new ATOM 0 HG SER A 33 1.458 -6.329 13.945 1.00 0.00 H new ATOM 486 N GLY A 34 4.377 -7.565 11.131 1.00 0.00 N ATOM 487 CA GLY A 34 4.608 -8.741 10.312 1.00 0.00 C ATOM 488 C GLY A 34 6.067 -8.908 9.935 1.00 0.00 C ATOM 489 O GLY A 34 6.912 -8.102 10.323 1.00 0.00 O ATOM 0 H GLY A 34 4.758 -7.619 12.076 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.272 -9.627 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.007 -8.672 9.405 1.00 0.00 H new ATOM 493 N GLY A 35 6.364 -9.959 9.177 1.00 0.00 N ATOM 494 CA GLY A 35 7.732 -10.211 8.762 1.00 0.00 C ATOM 495 C GLY A 35 7.884 -11.535 8.041 1.00 0.00 C ATOM 496 O GLY A 35 7.058 -12.434 8.198 1.00 0.00 O ATOM 0 H GLY A 35 5.682 -10.640 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.065 -9.405 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.382 -10.201 9.637 1.00 0.00 H new ATOM 500 N ARG A 36 8.942 -11.656 7.246 1.00 0.00 N ATOM 501 CA ARG A 36 9.198 -12.880 6.495 1.00 0.00 C ATOM 502 C ARG A 36 9.565 -14.026 7.433 1.00 0.00 C ATOM 503 O ARG A 36 9.573 -15.190 7.033 1.00 0.00 O ATOM 504 CB ARG A 36 10.322 -12.656 5.482 1.00 0.00 C ATOM 505 CG ARG A 36 11.702 -12.565 6.113 1.00 0.00 C ATOM 506 CD ARG A 36 12.783 -13.059 5.164 1.00 0.00 C ATOM 507 NE ARG A 36 14.123 -12.743 5.649 1.00 0.00 N ATOM 508 CZ ARG A 36 15.219 -13.377 5.245 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.133 -14.355 4.354 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.404 -13.032 5.733 1.00 0.00 N ATOM 0 H ARG A 36 9.636 -10.922 7.105 1.00 0.00 H new ATOM 0 HA ARG A 36 8.286 -13.147 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.316 -13.472 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.123 -11.738 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.907 -11.532 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.724 -13.155 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.689 -14.137 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.637 -12.608 4.182 1.00 0.00 H new ATOM 0 HE ARG A 36 14.224 -11.995 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.224 -14.623 3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.976 -14.840 4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.474 -12.280 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.245 -13.519 5.423 1.00 0.00 H new ATOM 524 N ASP A 37 9.869 -13.688 8.681 1.00 0.00 N ATOM 525 CA ASP A 37 10.236 -14.689 9.677 1.00 0.00 C ATOM 526 C ASP A 37 9.229 -14.711 10.822 1.00 0.00 C ATOM 527 O ASP A 37 9.037 -15.737 11.473 1.00 0.00 O ATOM 528 CB ASP A 37 11.639 -14.409 10.219 1.00 0.00 C ATOM 529 CG ASP A 37 12.721 -15.093 9.407 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.391 -16.026 8.645 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.897 -14.695 9.533 1.00 0.00 O ATOM 0 H ASP A 37 9.869 -12.729 9.028 1.00 0.00 H new ATOM 0 HA ASP A 37 10.230 -15.666 9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.816 -13.334 10.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.699 -14.745 11.254 1.00 0.00 H new ATOM 536 N ASN A 38 8.590 -13.571 11.064 1.00 0.00 N ATOM 537 CA ASN A 38 7.604 -13.459 12.132 1.00 0.00 C ATOM 538 C ASN A 38 6.320 -12.813 11.622 1.00 0.00 C ATOM 539 O ASN A 38 5.880 -11.773 12.114 1.00 0.00 O ATOM 540 CB ASN A 38 8.171 -12.642 13.295 1.00 0.00 C ATOM 541 CG ASN A 38 7.351 -12.792 14.561 1.00 0.00 C ATOM 542 OD1 ASN A 38 6.789 -11.820 15.069 1.00 0.00 O ATOM 543 ND2 ASN A 38 7.277 -14.013 15.078 1.00 0.00 N ATOM 0 H ASN A 38 8.738 -12.712 10.535 1.00 0.00 H new ATOM 0 HA ASN A 38 7.370 -14.464 12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.196 -12.956 13.490 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.208 -11.590 13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.739 -14.175 15.929 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.758 -14.789 14.624 1.00 0.00 H new ATOM 550 N PRO A 39 5.702 -13.442 10.611 1.00 0.00 N ATOM 551 CA PRO A 39 4.459 -12.947 10.012 1.00 0.00 C ATOM 552 C PRO A 39 3.267 -13.083 10.954 1.00 0.00 C ATOM 553 O PRO A 39 2.522 -14.062 10.891 1.00 0.00 O ATOM 554 CB PRO A 39 4.275 -13.843 8.785 1.00 0.00 C ATOM 555 CG PRO A 39 5.004 -15.099 9.120 1.00 0.00 C ATOM 556 CD PRO A 39 6.170 -14.685 9.975 1.00 0.00 C ATOM 0 HA PRO A 39 4.515 -11.884 9.776 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.220 -14.037 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.683 -13.376 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.357 -15.796 9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.343 -15.606 8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.416 -15.447 10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.067 -14.518 9.378 1.00 0.00 H new ATOM 564 N HIS A 40 3.093 -12.096 11.827 1.00 0.00 N ATOM 565 CA HIS A 40 1.990 -12.106 12.782 1.00 0.00 C ATOM 566 C HIS A 40 0.656 -12.299 12.068 1.00 0.00 C ATOM 567 O HIS A 40 -0.239 -12.975 12.576 1.00 0.00 O ATOM 568 CB HIS A 40 1.970 -10.803 13.582 1.00 0.00 C ATOM 569 CG HIS A 40 0.795 -10.684 14.503 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.511 -10.806 14.076 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.733 -10.455 15.835 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.324 -10.655 15.106 1.00 0.00 C ATOM 573 NE2 HIS A 40 -0.594 -10.441 16.186 1.00 0.00 N ATOM 0 H HIS A 40 3.701 -11.280 11.893 1.00 0.00 H new ATOM 0 HA HIS A 40 2.140 -12.941 13.466 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.888 -10.731 14.166 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.965 -9.961 12.890 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.572 -10.310 16.499 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.403 -10.699 15.071 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.957 -10.290 17.127 1.00 0.00 H new ATOM 582 N PHE A 41 0.529 -11.701 10.888 1.00 0.00 N ATOM 583 CA PHE A 41 -0.698 -11.806 10.106 1.00 0.00 C ATOM 584 C PHE A 41 -1.367 -13.160 10.323 1.00 0.00 C ATOM 585 O PHE A 41 -0.900 -14.182 9.823 1.00 0.00 O ATOM 586 CB PHE A 41 -0.398 -11.606 8.619 1.00 0.00 C ATOM 587 CG PHE A 41 -1.540 -11.001 7.853 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.659 -11.756 7.542 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.493 -9.678 7.444 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.712 -11.202 6.838 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.543 -9.119 6.740 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.653 -9.882 6.436 1.00 0.00 C ATOM 0 H PHE A 41 1.260 -11.139 10.452 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.381 -11.025 10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.478 -10.965 8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.143 -12.568 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.709 -12.789 7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.627 -9.077 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.580 -11.801 6.603 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.495 -8.086 6.428 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.474 -9.447 5.885 1.00 0.00 H new ATOM 602 N GLU A 42 -2.464 -13.157 11.074 1.00 0.00 N ATOM 603 CA GLU A 42 -3.197 -14.385 11.359 1.00 0.00 C ATOM 604 C GLU A 42 -3.105 -15.358 10.187 1.00 0.00 C ATOM 605 O GLU A 42 -2.722 -16.514 10.356 1.00 0.00 O ATOM 606 CB GLU A 42 -4.664 -14.071 11.662 1.00 0.00 C ATOM 607 CG GLU A 42 -5.296 -15.022 12.664 1.00 0.00 C ATOM 608 CD GLU A 42 -4.997 -16.477 12.356 1.00 0.00 C ATOM 609 OE1 GLU A 42 -5.572 -17.007 11.383 1.00 0.00 O ATOM 610 OE2 GLU A 42 -4.188 -17.084 13.089 1.00 0.00 O ATOM 0 H GLU A 42 -2.864 -12.319 11.496 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.745 -14.853 12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.737 -13.053 12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.233 -14.105 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.933 -14.784 13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.375 -14.871 12.672 1.00 0.00 H new ATOM 617 N ASN A 43 -3.461 -14.879 8.999 1.00 0.00 N ATOM 618 CA ASN A 43 -3.419 -15.707 7.799 1.00 0.00 C ATOM 619 C ASN A 43 -2.007 -16.224 7.543 1.00 0.00 C ATOM 620 O ASN A 43 -1.802 -17.418 7.327 1.00 0.00 O ATOM 621 CB ASN A 43 -3.910 -14.910 6.588 1.00 0.00 C ATOM 622 CG ASN A 43 -4.169 -15.792 5.382 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.794 -16.847 5.493 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.688 -15.362 4.221 1.00 0.00 N ATOM 0 H ASN A 43 -3.781 -13.923 8.842 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.077 -16.562 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.826 -14.381 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.169 -14.154 6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.831 -15.913 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.176 -14.481 4.176 1.00 0.00 H new ATOM 631 N GLY A 44 -1.036 -15.317 7.570 1.00 0.00 N ATOM 632 CA GLY A 44 0.345 -15.701 7.341 1.00 0.00 C ATOM 633 C GLY A 44 0.990 -14.902 6.226 1.00 0.00 C ATOM 634 O GLY A 44 1.980 -15.335 5.637 1.00 0.00 O ATOM 0 H GLY A 44 -1.181 -14.323 7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.915 -15.563 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.388 -16.762 7.096 1.00 0.00 H new ATOM 638 N GLU A 45 0.428 -13.734 5.934 1.00 0.00 N ATOM 639 CA GLU A 45 0.955 -12.875 4.880 1.00 0.00 C ATOM 640 C GLU A 45 2.319 -12.313 5.267 1.00 0.00 C ATOM 641 O GLU A 45 2.430 -11.491 6.178 1.00 0.00 O ATOM 642 CB GLU A 45 -0.018 -11.729 4.591 1.00 0.00 C ATOM 643 CG GLU A 45 0.537 -10.686 3.635 1.00 0.00 C ATOM 644 CD GLU A 45 0.327 -11.059 2.180 1.00 0.00 C ATOM 645 OE1 GLU A 45 0.534 -12.241 1.834 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.044 -10.168 1.388 1.00 0.00 O ATOM 0 H GLU A 45 -0.392 -13.361 6.412 1.00 0.00 H new ATOM 0 HA GLU A 45 1.072 -13.478 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.937 -12.140 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.284 -11.244 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.060 -9.726 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.603 -10.557 3.823 1.00 0.00 H new ATOM 653 N THR A 46 3.358 -12.762 4.569 1.00 0.00 N ATOM 654 CA THR A 46 4.715 -12.306 4.840 1.00 0.00 C ATOM 655 C THR A 46 4.995 -10.973 4.155 1.00 0.00 C ATOM 656 O THR A 46 6.039 -10.793 3.530 1.00 0.00 O ATOM 657 CB THR A 46 5.758 -13.339 4.372 1.00 0.00 C ATOM 658 OG1 THR A 46 5.555 -13.649 2.989 1.00 0.00 O ATOM 659 CG2 THR A 46 5.669 -14.611 5.201 1.00 0.00 C ATOM 0 H THR A 46 3.285 -13.441 3.812 1.00 0.00 H new ATOM 0 HA THR A 46 4.796 -12.181 5.920 1.00 0.00 H new ATOM 0 HB THR A 46 6.750 -12.907 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.223 -14.305 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.415 -15.325 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.854 -14.376 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.674 -15.045 5.096 1.00 0.00 H new ATOM 667 N SER A 47 4.055 -10.041 4.279 1.00 0.00 N ATOM 668 CA SER A 47 4.199 -8.724 3.669 1.00 0.00 C ATOM 669 C SER A 47 3.955 -7.621 4.694 1.00 0.00 C ATOM 670 O SER A 47 2.908 -7.580 5.340 1.00 0.00 O ATOM 671 CB SER A 47 3.227 -8.572 2.498 1.00 0.00 C ATOM 672 OG SER A 47 3.614 -9.385 1.404 1.00 0.00 O ATOM 0 H SER A 47 3.186 -10.174 4.796 1.00 0.00 H new ATOM 0 HA SER A 47 5.220 -8.632 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.221 -8.844 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.191 -7.529 2.185 1.00 0.00 H new ATOM 0 HG SER A 47 2.975 -9.271 0.669 1.00 0.00 H new ATOM 678 N ILE A 48 4.930 -6.729 4.838 1.00 0.00 N ATOM 679 CA ILE A 48 4.822 -5.625 5.783 1.00 0.00 C ATOM 680 C ILE A 48 3.578 -4.787 5.509 1.00 0.00 C ATOM 681 O ILE A 48 3.363 -4.323 4.389 1.00 0.00 O ATOM 682 CB ILE A 48 6.062 -4.715 5.730 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.331 -5.529 5.991 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.934 -3.585 6.741 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.262 -6.369 7.247 1.00 0.00 C ATOM 0 H ILE A 48 5.804 -6.750 4.312 1.00 0.00 H new ATOM 0 HA ILE A 48 4.748 -6.067 6.777 1.00 0.00 H new ATOM 0 HB ILE A 48 6.131 -4.279 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.517 -6.181 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.180 -4.850 6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.819 -2.950 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.048 -2.992 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.843 -4.003 7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.195 -6.919 7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.107 -5.721 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.434 -7.073 7.169 1.00 0.00 H new ATOM 697 N VAL A 49 2.761 -4.595 6.540 1.00 0.00 N ATOM 698 CA VAL A 49 1.539 -3.809 6.411 1.00 0.00 C ATOM 699 C VAL A 49 1.425 -2.783 7.533 1.00 0.00 C ATOM 700 O VAL A 49 1.986 -2.965 8.614 1.00 0.00 O ATOM 701 CB VAL A 49 0.289 -4.710 6.425 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.129 -5.064 5.006 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.547 -5.966 7.243 1.00 0.00 C ATOM 0 H VAL A 49 2.923 -4.973 7.474 1.00 0.00 H new ATOM 0 HA VAL A 49 1.594 -3.291 5.453 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.528 -4.161 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.013 -5.701 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.357 -4.151 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.683 -5.594 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.346 -6.591 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.378 -6.520 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.795 -5.688 8.268 1.00 0.00 H new ATOM 713 N ILE A 50 0.695 -1.705 7.269 1.00 0.00 N ATOM 714 CA ILE A 50 0.506 -0.650 8.257 1.00 0.00 C ATOM 715 C ILE A 50 -0.671 -0.962 9.175 1.00 0.00 C ATOM 716 O ILE A 50 -1.826 -0.722 8.824 1.00 0.00 O ATOM 717 CB ILE A 50 0.270 0.715 7.585 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.522 1.155 6.822 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.118 1.757 8.623 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.537 1.868 7.688 1.00 0.00 C ATOM 0 H ILE A 50 0.225 -1.539 6.379 1.00 0.00 H new ATOM 0 HA ILE A 50 1.422 -0.602 8.847 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.550 0.617 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.991 0.279 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.227 1.813 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.281 2.716 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.034 1.446 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.683 1.856 9.356 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.398 2.151 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.085 2.763 8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.860 1.205 8.490 1.00 0.00 H new ATOM 732 N SER A 51 -0.370 -1.497 10.354 1.00 0.00 N ATOM 733 CA SER A 51 -1.403 -1.843 11.323 1.00 0.00 C ATOM 734 C SER A 51 -1.704 -0.662 12.241 1.00 0.00 C ATOM 735 O SER A 51 -2.352 -0.817 13.276 1.00 0.00 O ATOM 736 CB SER A 51 -0.968 -3.052 12.154 1.00 0.00 C ATOM 737 OG SER A 51 -2.080 -3.666 12.781 1.00 0.00 O ATOM 0 H SER A 51 0.581 -1.700 10.661 1.00 0.00 H new ATOM 0 HA SER A 51 -2.311 -2.095 10.775 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.463 -3.775 11.513 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.248 -2.738 12.910 1.00 0.00 H new ATOM 0 HG SER A 51 -2.617 -2.984 13.235 1.00 0.00 H new ATOM 743 N ASP A 52 -1.229 0.516 11.854 1.00 0.00 N ATOM 744 CA ASP A 52 -1.448 1.725 12.641 1.00 0.00 C ATOM 745 C ASP A 52 -1.342 2.969 11.765 1.00 0.00 C ATOM 746 O ASP A 52 -0.340 3.176 11.081 1.00 0.00 O ATOM 747 CB ASP A 52 -0.436 1.803 13.785 1.00 0.00 C ATOM 748 CG ASP A 52 -0.868 2.766 14.874 1.00 0.00 C ATOM 749 OD1 ASP A 52 -1.991 2.604 15.397 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.084 3.681 15.203 1.00 0.00 O ATOM 0 H ASP A 52 -0.690 0.660 11.000 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.454 1.682 13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.300 0.810 14.214 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.531 2.115 13.390 1.00 0.00 H new ATOM 755 N VAL A 53 -2.383 3.796 11.792 1.00 0.00 N ATOM 756 CA VAL A 53 -2.407 5.020 11.001 1.00 0.00 C ATOM 757 C VAL A 53 -2.913 6.198 11.827 1.00 0.00 C ATOM 758 O VAL A 53 -4.119 6.429 11.925 1.00 0.00 O ATOM 759 CB VAL A 53 -3.295 4.864 9.752 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.499 6.209 9.071 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.687 3.856 8.789 1.00 0.00 C ATOM 0 H VAL A 53 -3.220 3.640 12.353 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.382 5.214 10.687 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.270 4.490 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.129 6.079 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.982 6.898 9.764 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.533 6.614 8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.327 3.758 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.699 4.198 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.598 2.889 9.283 1.00 0.00 H new ATOM 771 N LEU A 54 -1.984 6.940 12.419 1.00 0.00 N ATOM 772 CA LEU A 54 -2.334 8.096 13.237 1.00 0.00 C ATOM 773 C LEU A 54 -3.580 8.789 12.694 1.00 0.00 C ATOM 774 O LEU A 54 -3.570 9.384 11.616 1.00 0.00 O ATOM 775 CB LEU A 54 -1.168 9.084 13.286 1.00 0.00 C ATOM 776 CG LEU A 54 -1.030 9.897 14.574 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.771 8.980 15.759 1.00 0.00 C ATOM 778 CD2 LEU A 54 0.083 10.926 14.439 1.00 0.00 C ATOM 0 H LEU A 54 -0.982 6.762 12.348 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.546 7.745 14.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.242 8.531 13.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.271 9.778 12.451 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.967 10.426 14.749 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.676 9.576 16.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.602 8.283 15.868 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.151 8.422 15.593 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.167 11.495 15.365 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.026 10.418 14.239 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.146 11.603 13.616 1.00 0.00 H new ATOM 790 N PRO A 55 -4.680 8.715 13.459 1.00 0.00 N ATOM 791 CA PRO A 55 -5.953 9.332 13.076 1.00 0.00 C ATOM 792 C PRO A 55 -5.899 10.855 13.131 1.00 0.00 C ATOM 793 O PRO A 55 -6.828 11.535 12.698 1.00 0.00 O ATOM 794 CB PRO A 55 -6.936 8.794 14.119 1.00 0.00 C ATOM 795 CG PRO A 55 -6.091 8.470 15.303 1.00 0.00 C ATOM 796 CD PRO A 55 -4.764 8.023 14.756 1.00 0.00 C ATOM 0 HA PRO A 55 -6.228 9.094 12.048 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.696 9.535 14.366 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.459 7.911 13.752 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.974 9.341 15.948 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.549 7.686 15.906 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.942 8.303 15.415 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.722 6.940 14.637 1.00 0.00 H new ATOM 804 N GLY A 56 -4.803 11.385 13.667 1.00 0.00 N ATOM 805 CA GLY A 56 -4.649 12.824 13.768 1.00 0.00 C ATOM 806 C GLY A 56 -3.294 13.298 13.280 1.00 0.00 C ATOM 807 O GLY A 56 -2.905 14.440 13.518 1.00 0.00 O ATOM 0 H GLY A 56 -4.020 10.843 14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.432 13.312 13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.785 13.129 14.806 1.00 0.00 H new ATOM 811 N GLY A 57 -2.572 12.416 12.595 1.00 0.00 N ATOM 812 CA GLY A 57 -1.260 12.768 12.084 1.00 0.00 C ATOM 813 C GLY A 57 -1.233 12.864 10.571 1.00 0.00 C ATOM 814 O GLY A 57 -2.264 13.034 9.920 1.00 0.00 O ATOM 0 H GLY A 57 -2.872 11.464 12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.951 13.722 12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.534 12.023 12.411 1.00 0.00 H new ATOM 818 N PRO A 58 -0.030 12.755 9.989 1.00 0.00 N ATOM 819 CA PRO A 58 0.156 12.829 8.537 1.00 0.00 C ATOM 820 C PRO A 58 -0.411 11.610 7.817 1.00 0.00 C ATOM 821 O PRO A 58 -0.974 11.726 6.729 1.00 0.00 O ATOM 822 CB PRO A 58 1.677 12.884 8.377 1.00 0.00 C ATOM 823 CG PRO A 58 2.212 12.226 9.602 1.00 0.00 C ATOM 824 CD PRO A 58 1.241 12.551 10.703 1.00 0.00 C ATOM 0 HA PRO A 58 -0.364 13.683 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.999 12.363 7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.029 13.912 8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.296 11.148 9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.210 12.595 9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.169 11.740 11.427 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.541 13.443 11.252 1.00 0.00 H new ATOM 832 N ALA A 59 -0.259 10.442 8.432 1.00 0.00 N ATOM 833 CA ALA A 59 -0.758 9.202 7.850 1.00 0.00 C ATOM 834 C ALA A 59 -2.258 9.285 7.584 1.00 0.00 C ATOM 835 O ALA A 59 -2.729 8.908 6.511 1.00 0.00 O ATOM 836 CB ALA A 59 -0.448 8.027 8.766 1.00 0.00 C ATOM 0 H ALA A 59 0.206 10.328 9.333 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.254 9.049 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.826 7.108 8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.630 7.947 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.926 8.184 9.733 1.00 0.00 H new ATOM 842 N ASP A 60 -3.001 9.781 8.567 1.00 0.00 N ATOM 843 CA ASP A 60 -4.448 9.914 8.439 1.00 0.00 C ATOM 844 C ASP A 60 -4.817 10.576 7.115 1.00 0.00 C ATOM 845 O ASP A 60 -4.932 11.798 7.032 1.00 0.00 O ATOM 846 CB ASP A 60 -5.012 10.726 9.605 1.00 0.00 C ATOM 847 CG ASP A 60 -6.250 11.512 9.218 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.292 10.881 8.946 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.176 12.759 9.187 1.00 0.00 O ATOM 0 H ASP A 60 -2.626 10.098 9.461 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.884 8.915 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.254 10.054 10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.248 11.413 9.969 1.00 0.00 H new ATOM 854 N GLY A 61 -5.002 9.760 6.082 1.00 0.00 N ATOM 855 CA GLY A 61 -5.355 10.285 4.776 1.00 0.00 C ATOM 856 C GLY A 61 -4.427 9.793 3.682 1.00 0.00 C ATOM 857 O GLY A 61 -4.880 9.273 2.662 1.00 0.00 O ATOM 0 H GLY A 61 -4.914 8.745 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.379 9.997 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.330 11.374 4.807 1.00 0.00 H new ATOM 861 N LEU A 62 -3.126 9.957 3.894 1.00 0.00 N ATOM 862 CA LEU A 62 -2.132 9.527 2.918 1.00 0.00 C ATOM 863 C LEU A 62 -2.098 8.006 2.809 1.00 0.00 C ATOM 864 O LEU A 62 -2.096 7.451 1.710 1.00 0.00 O ATOM 865 CB LEU A 62 -0.748 10.053 3.304 1.00 0.00 C ATOM 866 CG LEU A 62 -0.595 11.574 3.340 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.708 11.963 4.022 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.654 12.150 1.933 1.00 0.00 C ATOM 0 H LEU A 62 -2.735 10.385 4.733 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.412 9.936 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.493 9.659 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.019 9.651 2.600 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.422 11.989 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.800 13.049 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.712 11.583 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.547 11.536 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.543 13.233 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.152 11.728 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.613 11.902 1.478 1.00 0.00 H new ATOM 880 N LEU A 63 -2.073 7.337 3.957 1.00 0.00 N ATOM 881 CA LEU A 63 -2.042 5.879 3.992 1.00 0.00 C ATOM 882 C LEU A 63 -3.190 5.329 4.833 1.00 0.00 C ATOM 883 O LEU A 63 -3.847 6.071 5.562 1.00 0.00 O ATOM 884 CB LEU A 63 -0.705 5.391 4.552 1.00 0.00 C ATOM 885 CG LEU A 63 0.513 5.584 3.648 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.797 5.321 4.418 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.423 4.674 2.431 1.00 0.00 C ATOM 0 H LEU A 63 -2.074 7.781 4.875 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.157 5.514 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.519 5.907 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.796 4.330 4.783 1.00 0.00 H new ATOM 0 HG LEU A 63 0.526 6.618 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.653 5.463 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.867 6.014 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.794 4.297 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.298 4.825 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.385 3.634 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.478 4.911 1.866 1.00 0.00 H new ATOM 899 N GLN A 64 -3.422 4.025 4.727 1.00 0.00 N ATOM 900 CA GLN A 64 -4.490 3.377 5.479 1.00 0.00 C ATOM 901 C GLN A 64 -3.973 2.135 6.198 1.00 0.00 C ATOM 902 O GLN A 64 -2.795 1.794 6.096 1.00 0.00 O ATOM 903 CB GLN A 64 -5.642 2.998 4.547 1.00 0.00 C ATOM 904 CG GLN A 64 -6.480 4.186 4.102 1.00 0.00 C ATOM 905 CD GLN A 64 -7.864 3.781 3.635 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.674 3.280 4.416 1.00 0.00 O ATOM 907 NE2 GLN A 64 -8.144 3.998 2.355 1.00 0.00 N ATOM 0 H GLN A 64 -2.886 3.397 4.129 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.854 4.083 6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.237 2.499 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.286 2.279 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.571 4.891 4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.966 4.706 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.443 4.416 1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.060 3.747 1.984 1.00 0.00 H new ATOM 916 N GLU A 65 -4.862 1.464 6.924 1.00 0.00 N ATOM 917 CA GLU A 65 -4.493 0.261 7.661 1.00 0.00 C ATOM 918 C GLU A 65 -4.425 -0.947 6.731 1.00 0.00 C ATOM 919 O GLU A 65 -5.203 -1.059 5.784 1.00 0.00 O ATOM 920 CB GLU A 65 -5.497 -0.004 8.785 1.00 0.00 C ATOM 921 CG GLU A 65 -4.877 -0.639 10.018 1.00 0.00 C ATOM 922 CD GLU A 65 -5.878 -1.441 10.827 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.523 -0.857 11.722 1.00 0.00 O ATOM 924 OE2 GLU A 65 -6.017 -2.654 10.563 1.00 0.00 O ATOM 0 H GLU A 65 -5.842 1.733 7.017 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.506 0.421 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.968 0.937 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.286 -0.655 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.057 -1.289 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.448 0.141 10.647 1.00 0.00 H new ATOM 931 N ASN A 66 -3.488 -1.848 7.008 1.00 0.00 N ATOM 932 CA ASN A 66 -3.316 -3.047 6.196 1.00 0.00 C ATOM 933 C ASN A 66 -2.952 -2.684 4.759 1.00 0.00 C ATOM 934 O ASN A 66 -3.433 -3.303 3.810 1.00 0.00 O ATOM 935 CB ASN A 66 -4.595 -3.887 6.213 1.00 0.00 C ATOM 936 CG ASN A 66 -4.665 -4.808 7.415 1.00 0.00 C ATOM 937 OD1 ASN A 66 -3.989 -5.836 7.464 1.00 0.00 O ATOM 938 ND2 ASN A 66 -5.487 -4.443 8.393 1.00 0.00 N ATOM 0 H ASN A 66 -2.836 -1.770 7.789 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.500 -3.630 6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.461 -3.225 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.649 -4.480 5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.577 -5.023 9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.028 -3.582 8.310 1.00 0.00 H new ATOM 945 N ASP A 67 -2.099 -1.676 4.608 1.00 0.00 N ATOM 946 CA ASP A 67 -1.669 -1.231 3.287 1.00 0.00 C ATOM 947 C ASP A 67 -0.424 -1.990 2.837 1.00 0.00 C ATOM 948 O ASP A 67 0.701 -1.571 3.105 1.00 0.00 O ATOM 949 CB ASP A 67 -1.388 0.272 3.299 1.00 0.00 C ATOM 950 CG ASP A 67 -1.671 0.925 1.960 1.00 0.00 C ATOM 951 OD1 ASP A 67 -1.944 0.190 0.989 1.00 0.00 O ATOM 952 OD2 ASP A 67 -1.620 2.170 1.884 1.00 0.00 O ATOM 0 H ASP A 67 -1.692 -1.152 5.383 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.474 -1.437 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.998 0.747 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.346 0.442 3.570 1.00 0.00 H new ATOM 957 N ARG A 68 -0.636 -3.110 2.153 1.00 0.00 N ATOM 958 CA ARG A 68 0.468 -3.928 1.667 1.00 0.00 C ATOM 959 C ARG A 68 1.628 -3.055 1.199 1.00 0.00 C ATOM 960 O ARG A 68 1.586 -2.478 0.112 1.00 0.00 O ATOM 961 CB ARG A 68 -0.001 -4.828 0.522 1.00 0.00 C ATOM 962 CG ARG A 68 -0.443 -6.210 0.976 1.00 0.00 C ATOM 963 CD ARG A 68 -1.490 -6.126 2.076 1.00 0.00 C ATOM 964 NE ARG A 68 -2.410 -7.260 2.043 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.324 -7.492 2.979 1.00 0.00 C ATOM 966 NH1 ARG A 68 -3.440 -6.672 4.015 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.124 -8.546 2.880 1.00 0.00 N ATOM 0 H ARG A 68 -1.562 -3.471 1.923 1.00 0.00 H new ATOM 0 HA ARG A 68 0.815 -4.551 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.829 -4.343 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.808 -4.934 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.849 -6.761 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.420 -6.770 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.994 -6.089 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.053 -5.199 1.970 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.347 -7.909 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.827 -5.861 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.143 -6.852 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.038 -9.179 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.825 -8.723 3.599 1.00 0.00 H new ATOM 981 N VAL A 69 2.664 -2.960 2.028 1.00 0.00 N ATOM 982 CA VAL A 69 3.835 -2.157 1.699 1.00 0.00 C ATOM 983 C VAL A 69 4.740 -2.885 0.710 1.00 0.00 C ATOM 984 O VAL A 69 5.061 -4.059 0.894 1.00 0.00 O ATOM 985 CB VAL A 69 4.648 -1.807 2.960 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.675 -0.729 2.651 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.722 -1.367 4.084 1.00 0.00 C ATOM 0 H VAL A 69 2.715 -3.430 2.932 1.00 0.00 H new ATOM 0 HA VAL A 69 3.470 -1.236 1.244 1.00 0.00 H new ATOM 0 HB VAL A 69 5.182 -2.699 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.240 -0.495 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.357 -1.086 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.166 0.168 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.312 -1.123 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.160 -0.488 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.029 -2.174 4.322 1.00 0.00 H new ATOM 997 N VAL A 70 5.149 -2.179 -0.339 1.00 0.00 N ATOM 998 CA VAL A 70 6.019 -2.756 -1.357 1.00 0.00 C ATOM 999 C VAL A 70 7.421 -2.161 -1.283 1.00 0.00 C ATOM 1000 O VAL A 70 8.403 -2.881 -1.100 1.00 0.00 O ATOM 1001 CB VAL A 70 5.452 -2.534 -2.771 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.283 -3.282 -3.803 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.995 -2.964 -2.835 1.00 0.00 C ATOM 0 H VAL A 70 4.892 -1.206 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 70 6.071 -3.827 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 70 5.503 -1.470 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.867 -3.113 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.311 -2.921 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.267 -4.349 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.611 -2.800 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.917 -4.022 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.411 -2.379 -2.124 1.00 0.00 H new ATOM 1013 N MET A 71 7.507 -0.843 -1.427 1.00 0.00 N ATOM 1014 CA MET A 71 8.789 -0.150 -1.375 1.00 0.00 C ATOM 1015 C MET A 71 8.730 1.033 -0.414 1.00 0.00 C ATOM 1016 O MET A 71 7.688 1.671 -0.264 1.00 0.00 O ATOM 1017 CB MET A 71 9.190 0.331 -2.771 1.00 0.00 C ATOM 1018 CG MET A 71 10.405 1.243 -2.774 1.00 0.00 C ATOM 1019 SD MET A 71 10.454 2.332 -4.210 1.00 0.00 S ATOM 1020 CE MET A 71 9.724 3.820 -3.532 1.00 0.00 C ATOM 0 H MET A 71 6.704 -0.233 -1.581 1.00 0.00 H new ATOM 0 HA MET A 71 9.539 -0.853 -1.011 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.395 -0.535 -3.400 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.349 0.859 -3.220 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.404 1.846 -1.866 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.310 0.636 -2.753 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.994 4.220 -4.235 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.229 3.586 -2.589 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.504 4.561 -3.358 1.00 0.00 H new ATOM 1030 N VAL A 72 9.854 1.320 0.234 1.00 0.00 N ATOM 1031 CA VAL A 72 9.930 2.427 1.180 1.00 0.00 C ATOM 1032 C VAL A 72 11.201 3.243 0.970 1.00 0.00 C ATOM 1033 O VAL A 72 12.290 2.823 1.357 1.00 0.00 O ATOM 1034 CB VAL A 72 9.889 1.925 2.636 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.131 3.074 3.603 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.561 1.243 2.927 1.00 0.00 C ATOM 0 H VAL A 72 10.725 0.801 0.121 1.00 0.00 H new ATOM 0 HA VAL A 72 9.061 3.060 0.998 1.00 0.00 H new ATOM 0 HB VAL A 72 10.685 1.193 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.099 2.701 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.109 3.514 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.359 3.832 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.549 0.895 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.747 1.951 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.434 0.393 2.256 1.00 0.00 H new ATOM 1046 N ASN A 73 11.052 4.412 0.355 1.00 0.00 N ATOM 1047 CA ASN A 73 12.189 5.287 0.094 1.00 0.00 C ATOM 1048 C ASN A 73 13.173 4.629 -0.868 1.00 0.00 C ATOM 1049 O ASN A 73 14.370 4.911 -0.837 1.00 0.00 O ATOM 1050 CB ASN A 73 12.897 5.643 1.403 1.00 0.00 C ATOM 1051 CG ASN A 73 12.343 6.904 2.036 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.843 7.791 1.344 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.430 6.990 3.358 1.00 0.00 N ATOM 0 H ASN A 73 10.156 4.775 0.029 1.00 0.00 H new ATOM 0 HA ASN A 73 11.814 6.200 -0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.797 4.814 2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.962 5.773 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.074 7.816 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.852 6.230 3.892 1.00 0.00 H new ATOM 1060 N GLY A 74 12.659 3.750 -1.723 1.00 0.00 N ATOM 1061 CA GLY A 74 13.506 3.065 -2.682 1.00 0.00 C ATOM 1062 C GLY A 74 14.060 1.762 -2.140 1.00 0.00 C ATOM 1063 O GLY A 74 15.120 1.303 -2.567 1.00 0.00 O ATOM 0 H GLY A 74 11.671 3.500 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.935 2.864 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.332 3.718 -2.964 1.00 0.00 H new ATOM 1067 N THR A 75 13.344 1.164 -1.193 1.00 0.00 N ATOM 1068 CA THR A 75 13.771 -0.091 -0.589 1.00 0.00 C ATOM 1069 C THR A 75 12.641 -1.114 -0.590 1.00 0.00 C ATOM 1070 O THR A 75 11.535 -0.854 -0.117 1.00 0.00 O ATOM 1071 CB THR A 75 14.258 0.118 0.857 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.242 1.157 0.897 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.846 -1.167 1.421 1.00 0.00 C ATOM 0 H THR A 75 12.465 1.530 -0.828 1.00 0.00 H new ATOM 0 HA THR A 75 14.598 -0.466 -1.192 1.00 0.00 H new ATOM 0 HB THR A 75 13.402 0.406 1.467 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.169 1.644 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.183 -0.995 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.085 -1.948 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.691 -1.480 0.808 1.00 0.00 H new ATOM 1081 N PRO A 76 12.923 -2.308 -1.132 1.00 0.00 N ATOM 1082 CA PRO A 76 11.942 -3.396 -1.206 1.00 0.00 C ATOM 1083 C PRO A 76 11.625 -3.984 0.164 1.00 0.00 C ATOM 1084 O PRO A 76 12.504 -4.518 0.839 1.00 0.00 O ATOM 1085 CB PRO A 76 12.634 -4.438 -2.088 1.00 0.00 C ATOM 1086 CG PRO A 76 14.090 -4.173 -1.916 1.00 0.00 C ATOM 1087 CD PRO A 76 14.221 -2.689 -1.715 1.00 0.00 C ATOM 0 HA PRO A 76 10.984 -3.055 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.377 -5.451 -1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.334 -4.336 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.487 -4.719 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.652 -4.499 -2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.048 -2.445 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.407 -2.171 -2.656 1.00 0.00 H new ATOM 1095 N MET A 77 10.363 -3.882 0.568 1.00 0.00 N ATOM 1096 CA MET A 77 9.929 -4.407 1.858 1.00 0.00 C ATOM 1097 C MET A 77 9.347 -5.808 1.708 1.00 0.00 C ATOM 1098 O MET A 77 8.704 -6.324 2.621 1.00 0.00 O ATOM 1099 CB MET A 77 8.892 -3.476 2.489 1.00 0.00 C ATOM 1100 CG MET A 77 9.268 -2.005 2.410 1.00 0.00 C ATOM 1101 SD MET A 77 10.251 -1.463 3.822 1.00 0.00 S ATOM 1102 CE MET A 77 11.862 -1.280 3.062 1.00 0.00 C ATOM 0 H MET A 77 9.623 -3.441 0.021 1.00 0.00 H new ATOM 0 HA MET A 77 10.801 -4.464 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.933 -3.625 1.993 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.756 -3.752 3.535 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.828 -1.826 1.492 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.360 -1.404 2.352 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.630 -1.266 3.836 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.043 -2.116 2.387 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.895 -0.346 2.500 1.00 0.00 H new ATOM 1112 N GLU A 78 9.577 -6.419 0.549 1.00 0.00 N ATOM 1113 CA GLU A 78 9.073 -7.760 0.281 1.00 0.00 C ATOM 1114 C GLU A 78 10.073 -8.819 0.738 1.00 0.00 C ATOM 1115 O GLU A 78 11.239 -8.798 0.344 1.00 0.00 O ATOM 1116 CB GLU A 78 8.782 -7.930 -1.212 1.00 0.00 C ATOM 1117 CG GLU A 78 9.958 -7.575 -2.106 1.00 0.00 C ATOM 1118 CD GLU A 78 9.855 -8.202 -3.483 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.276 -9.303 -3.592 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.353 -7.591 -4.451 1.00 0.00 O ATOM 0 H GLU A 78 10.108 -6.006 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 78 8.148 -7.892 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.491 -8.963 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.930 -7.305 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.018 -6.491 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.883 -7.902 -1.630 1.00 0.00 H new ATOM 1127 N ASP A 79 9.608 -9.741 1.573 1.00 0.00 N ATOM 1128 CA ASP A 79 10.460 -10.809 2.085 1.00 0.00 C ATOM 1129 C ASP A 79 11.565 -10.243 2.972 1.00 0.00 C ATOM 1130 O ASP A 79 12.717 -10.670 2.893 1.00 0.00 O ATOM 1131 CB ASP A 79 11.071 -11.601 0.929 1.00 0.00 C ATOM 1132 CG ASP A 79 11.333 -13.049 1.294 1.00 0.00 C ATOM 1133 OD1 ASP A 79 12.322 -13.312 2.009 1.00 0.00 O ATOM 1134 OD2 ASP A 79 10.547 -13.920 0.865 1.00 0.00 O ATOM 0 H ASP A 79 8.646 -9.771 1.910 1.00 0.00 H new ATOM 0 HA ASP A 79 9.843 -11.477 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.400 -11.561 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.006 -11.131 0.625 1.00 0.00 H new ATOM 1139 N VAL A 80 11.206 -9.280 3.814 1.00 0.00 N ATOM 1140 CA VAL A 80 12.167 -8.656 4.715 1.00 0.00 C ATOM 1141 C VAL A 80 11.725 -8.789 6.168 1.00 0.00 C ATOM 1142 O VAL A 80 10.602 -9.208 6.451 1.00 0.00 O ATOM 1143 CB VAL A 80 12.361 -7.164 4.384 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.699 -6.983 2.912 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.117 -6.371 4.755 1.00 0.00 C ATOM 0 H VAL A 80 10.257 -8.915 3.891 1.00 0.00 H new ATOM 0 HA VAL A 80 13.114 -9.177 4.577 1.00 0.00 H new ATOM 0 HB VAL A 80 13.196 -6.784 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.832 -5.923 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.620 -7.519 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.887 -7.378 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.271 -5.319 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.263 -6.750 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.924 -6.475 5.823 1.00 0.00 H new ATOM 1155 N LEU A 81 12.615 -8.430 7.087 1.00 0.00 N ATOM 1156 CA LEU A 81 12.316 -8.509 8.513 1.00 0.00 C ATOM 1157 C LEU A 81 11.633 -7.234 8.997 1.00 0.00 C ATOM 1158 O LEU A 81 11.824 -6.159 8.428 1.00 0.00 O ATOM 1159 CB LEU A 81 13.600 -8.747 9.310 1.00 0.00 C ATOM 1160 CG LEU A 81 14.331 -10.060 9.028 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.682 -10.080 9.727 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.485 -11.247 9.465 1.00 0.00 C ATOM 0 H LEU A 81 13.549 -8.082 6.870 1.00 0.00 H new ATOM 0 HA LEU A 81 11.636 -9.346 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.285 -7.923 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.357 -8.710 10.372 1.00 0.00 H new ATOM 0 HG LEU A 81 14.499 -10.136 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.188 -11.022 9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.291 -9.252 9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.537 -9.981 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.022 -12.173 9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.284 -11.177 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.542 -11.243 8.918 1.00 0.00 H new ATOM 1174 N HIS A 82 10.836 -7.361 10.054 1.00 0.00 N ATOM 1175 CA HIS A 82 10.126 -6.219 10.617 1.00 0.00 C ATOM 1176 C HIS A 82 11.095 -5.090 10.957 1.00 0.00 C ATOM 1177 O HIS A 82 10.789 -3.915 10.757 1.00 0.00 O ATOM 1178 CB HIS A 82 9.354 -6.638 11.869 1.00 0.00 C ATOM 1179 CG HIS A 82 8.962 -5.487 12.744 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.698 -4.724 13.586 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.673 -5.004 12.820 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.849 -3.803 14.148 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.633 -3.993 13.669 1.00 0.00 N flip ATOM 0 H HIS A 82 10.666 -8.243 10.537 1.00 0.00 H new ATOM 0 HA HIS A 82 9.421 -5.856 9.869 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.456 -7.178 11.568 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.964 -7.332 12.447 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.828 -5.392 12.271 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.130 -3.046 14.865 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.804 -3.451 13.913 1.00 0.00 H new ATOM 1192 N SER A 83 12.264 -5.456 11.473 1.00 0.00 N ATOM 1193 CA SER A 83 13.276 -4.474 11.844 1.00 0.00 C ATOM 1194 C SER A 83 13.837 -3.777 10.608 1.00 0.00 C ATOM 1195 O SER A 83 14.261 -2.623 10.671 1.00 0.00 O ATOM 1196 CB SER A 83 14.408 -5.147 12.622 1.00 0.00 C ATOM 1197 OG SER A 83 14.004 -5.457 13.945 1.00 0.00 O ATOM 0 H SER A 83 12.534 -6.425 11.644 1.00 0.00 H new ATOM 0 HA SER A 83 12.804 -3.724 12.479 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.714 -6.059 12.109 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.277 -4.489 12.648 1.00 0.00 H new ATOM 0 HG SER A 83 14.745 -5.888 14.421 1.00 0.00 H new ATOM 1203 N PHE A 84 13.836 -4.487 9.485 1.00 0.00 N ATOM 1204 CA PHE A 84 14.345 -3.939 8.234 1.00 0.00 C ATOM 1205 C PHE A 84 13.369 -2.923 7.648 1.00 0.00 C ATOM 1206 O PHE A 84 13.773 -1.871 7.154 1.00 0.00 O ATOM 1207 CB PHE A 84 14.597 -5.062 7.225 1.00 0.00 C ATOM 1208 CG PHE A 84 15.088 -4.572 5.893 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.437 -4.343 5.679 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.200 -4.341 4.855 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.893 -3.893 4.454 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.649 -3.891 3.628 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.997 -3.666 3.427 1.00 0.00 C ATOM 0 H PHE A 84 13.488 -5.443 9.416 1.00 0.00 H new ATOM 0 HA PHE A 84 15.287 -3.432 8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.328 -5.755 7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.674 -5.622 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.141 -4.518 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.145 -4.515 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.948 -3.719 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.946 -3.715 2.827 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.350 -3.313 2.469 1.00 0.00 H new ATOM 1223 N ALA A 85 12.081 -3.247 7.706 1.00 0.00 N ATOM 1224 CA ALA A 85 11.047 -2.363 7.183 1.00 0.00 C ATOM 1225 C ALA A 85 10.989 -1.059 7.971 1.00 0.00 C ATOM 1226 O ALA A 85 10.935 0.026 7.392 1.00 0.00 O ATOM 1227 CB ALA A 85 9.694 -3.060 7.211 1.00 0.00 C ATOM 0 H ALA A 85 11.729 -4.115 8.110 1.00 0.00 H new ATOM 0 HA ALA A 85 11.298 -2.121 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.931 -2.389 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.736 -3.961 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.445 -3.331 8.237 1.00 0.00 H new ATOM 1233 N VAL A 86 11.000 -1.172 9.295 1.00 0.00 N ATOM 1234 CA VAL A 86 10.950 -0.002 10.163 1.00 0.00 C ATOM 1235 C VAL A 86 12.225 0.825 10.046 1.00 0.00 C ATOM 1236 O VAL A 86 12.187 2.054 10.106 1.00 0.00 O ATOM 1237 CB VAL A 86 10.745 -0.404 11.636 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.683 -1.539 12.015 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.951 0.796 12.548 1.00 0.00 C ATOM 0 H VAL A 86 11.043 -2.063 9.790 1.00 0.00 H new ATOM 0 HA VAL A 86 10.101 0.598 9.836 1.00 0.00 H new ATOM 0 HB VAL A 86 9.721 -0.755 11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.524 -1.809 13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.483 -2.403 11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.716 -1.219 11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.802 0.495 13.585 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.964 1.178 12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.234 1.576 12.291 1.00 0.00 H new ATOM 1249 N GLN A 87 13.353 0.143 9.877 1.00 0.00 N ATOM 1250 CA GLN A 87 14.641 0.815 9.751 1.00 0.00 C ATOM 1251 C GLN A 87 14.534 2.027 8.832 1.00 0.00 C ATOM 1252 O GLN A 87 14.850 3.148 9.229 1.00 0.00 O ATOM 1253 CB GLN A 87 15.696 -0.154 9.217 1.00 0.00 C ATOM 1254 CG GLN A 87 17.114 0.200 9.633 1.00 0.00 C ATOM 1255 CD GLN A 87 17.533 -0.486 10.919 1.00 0.00 C ATOM 1256 OE1 GLN A 87 17.144 -1.624 11.185 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.331 0.204 11.726 1.00 0.00 N ATOM 0 H GLN A 87 13.401 -0.874 9.824 1.00 0.00 H new ATOM 0 HA GLN A 87 14.942 1.158 10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.464 -1.160 9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.640 -0.175 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.803 -0.079 8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.193 1.280 9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 87 18.629 1.144 11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.646 -0.206 12.605 1.00 0.00 H new ATOM 1266 N GLN A 88 14.088 1.793 7.602 1.00 0.00 N ATOM 1267 CA GLN A 88 13.941 2.867 6.626 1.00 0.00 C ATOM 1268 C GLN A 88 13.202 4.056 7.231 1.00 0.00 C ATOM 1269 O GLN A 88 13.577 5.209 7.014 1.00 0.00 O ATOM 1270 CB GLN A 88 13.194 2.362 5.390 1.00 0.00 C ATOM 1271 CG GLN A 88 13.826 1.134 4.756 1.00 0.00 C ATOM 1272 CD GLN A 88 15.209 1.411 4.200 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.432 2.425 3.537 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.146 0.509 4.466 1.00 0.00 N ATOM 0 H GLN A 88 13.822 0.870 7.258 1.00 0.00 H new ATOM 0 HA GLN A 88 14.938 3.195 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.166 2.129 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.151 3.161 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.890 0.338 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.182 0.771 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.917 -0.317 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.095 0.642 4.117 1.00 0.00 H new ATOM 1283 N LEU A 89 12.151 3.768 7.991 1.00 0.00 N ATOM 1284 CA LEU A 89 11.359 4.814 8.629 1.00 0.00 C ATOM 1285 C LEU A 89 12.221 5.660 9.560 1.00 0.00 C ATOM 1286 O LEU A 89 12.266 6.884 9.439 1.00 0.00 O ATOM 1287 CB LEU A 89 10.198 4.197 9.411 1.00 0.00 C ATOM 1288 CG LEU A 89 9.235 3.323 8.606 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.117 2.802 9.495 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.665 4.102 7.429 1.00 0.00 C ATOM 0 H LEU A 89 11.828 2.819 8.180 1.00 0.00 H new ATOM 0 HA LEU A 89 10.960 5.460 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.611 3.596 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.627 5.003 9.871 1.00 0.00 H new ATOM 0 HG LEU A 89 9.789 2.469 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.442 2.182 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.542 2.207 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.564 3.642 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.982 3.465 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.127 4.975 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.478 4.425 6.778 1.00 0.00 H new ATOM 1302 N ARG A 90 12.907 4.998 10.486 1.00 0.00 N ATOM 1303 CA ARG A 90 13.769 5.689 11.437 1.00 0.00 C ATOM 1304 C ARG A 90 14.944 6.353 10.723 1.00 0.00 C ATOM 1305 O ARG A 90 15.502 7.338 11.207 1.00 0.00 O ATOM 1306 CB ARG A 90 14.287 4.711 12.493 1.00 0.00 C ATOM 1307 CG ARG A 90 14.890 3.445 11.906 1.00 0.00 C ATOM 1308 CD ARG A 90 15.505 2.569 12.986 1.00 0.00 C ATOM 1309 NE ARG A 90 16.407 3.322 13.854 1.00 0.00 N ATOM 1310 CZ ARG A 90 16.003 4.000 14.922 1.00 0.00 C ATOM 1311 NH1 ARG A 90 14.720 4.020 15.252 1.00 0.00 N ATOM 1312 NH2 ARG A 90 16.885 4.661 15.662 1.00 0.00 N ATOM 0 H ARG A 90 12.883 3.984 10.598 1.00 0.00 H new ATOM 0 HA ARG A 90 13.179 6.463 11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.038 5.212 13.103 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.467 4.439 13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.119 2.885 11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.652 3.710 11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.712 2.124 13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.051 1.749 12.520 1.00 0.00 H new ATOM 0 HE ARG A 90 17.401 3.327 13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.040 3.514 14.685 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.413 4.542 16.073 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.873 4.648 15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.574 5.182 16.482 1.00 0.00 H new ATOM 1326 N LYS A 91 15.314 5.806 9.571 1.00 0.00 N ATOM 1327 CA LYS A 91 16.421 6.344 8.789 1.00 0.00 C ATOM 1328 C LYS A 91 16.014 7.636 8.087 1.00 0.00 C ATOM 1329 O LYS A 91 16.787 8.593 8.031 1.00 0.00 O ATOM 1330 CB LYS A 91 16.889 5.317 7.756 1.00 0.00 C ATOM 1331 CG LYS A 91 17.604 4.123 8.366 1.00 0.00 C ATOM 1332 CD LYS A 91 17.789 3.006 7.353 1.00 0.00 C ATOM 1333 CE LYS A 91 19.019 3.236 6.488 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.694 4.004 5.254 1.00 0.00 N ATOM 0 H LYS A 91 14.863 4.990 9.157 1.00 0.00 H new ATOM 0 HA LYS A 91 17.242 6.564 9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.027 4.964 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.556 5.806 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.577 4.436 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.033 3.752 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.882 2.053 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.905 2.938 6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.772 3.775 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.455 2.275 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.012 3.471 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.666 4.153 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.176 4.925 5.281 1.00 0.00 H new ATOM 1348 N SER A 92 14.796 7.658 7.555 1.00 0.00 N ATOM 1349 CA SER A 92 14.288 8.832 6.856 1.00 0.00 C ATOM 1350 C SER A 92 14.402 10.077 7.731 1.00 0.00 C ATOM 1351 O SER A 92 14.398 9.989 8.958 1.00 0.00 O ATOM 1352 CB SER A 92 12.831 8.615 6.444 1.00 0.00 C ATOM 1353 OG SER A 92 12.500 9.397 5.309 1.00 0.00 O ATOM 0 H SER A 92 14.143 6.876 7.595 1.00 0.00 H new ATOM 0 HA SER A 92 14.892 8.982 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.665 7.560 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.173 8.875 7.273 1.00 0.00 H new ATOM 0 HG SER A 92 12.163 10.270 5.600 1.00 0.00 H new ATOM 1359 N GLY A 93 14.503 11.237 7.089 1.00 0.00 N ATOM 1360 CA GLY A 93 14.616 12.483 7.823 1.00 0.00 C ATOM 1361 C GLY A 93 13.267 13.048 8.219 1.00 0.00 C ATOM 1362 O GLY A 93 12.745 12.737 9.289 1.00 0.00 O ATOM 0 H GLY A 93 14.509 11.336 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.215 12.320 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.147 13.213 7.213 1.00 0.00 H new ATOM 1366 N LYS A 94 12.699 13.882 7.354 1.00 0.00 N ATOM 1367 CA LYS A 94 11.402 14.493 7.618 1.00 0.00 C ATOM 1368 C LYS A 94 10.343 13.958 6.658 1.00 0.00 C ATOM 1369 O LYS A 94 9.191 13.754 7.041 1.00 0.00 O ATOM 1370 CB LYS A 94 11.496 16.015 7.493 1.00 0.00 C ATOM 1371 CG LYS A 94 10.145 16.704 7.418 1.00 0.00 C ATOM 1372 CD LYS A 94 10.200 18.105 8.005 1.00 0.00 C ATOM 1373 CE LYS A 94 9.191 19.028 7.340 1.00 0.00 C ATOM 1374 NZ LYS A 94 7.859 18.963 8.003 1.00 0.00 N ATOM 0 H LYS A 94 13.117 14.150 6.463 1.00 0.00 H new ATOM 0 HA LYS A 94 11.108 14.236 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.048 16.408 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.071 16.263 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.819 16.756 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.404 16.112 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.003 18.060 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.203 18.513 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.562 20.053 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.087 18.756 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.199 19.606 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.493 17.991 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.953 19.247 8.999 1.00 0.00 H new ATOM 1388 N ILE A 95 10.742 13.732 5.411 1.00 0.00 N ATOM 1389 CA ILE A 95 9.828 13.219 4.398 1.00 0.00 C ATOM 1390 C ILE A 95 10.250 11.830 3.930 1.00 0.00 C ATOM 1391 O ILE A 95 11.422 11.591 3.641 1.00 0.00 O ATOM 1392 CB ILE A 95 9.753 14.158 3.180 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.388 15.576 3.624 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.740 13.637 2.171 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.062 15.661 4.346 1.00 0.00 C ATOM 0 H ILE A 95 11.692 13.896 5.078 1.00 0.00 H new ATOM 0 HA ILE A 95 8.843 13.160 4.862 1.00 0.00 H new ATOM 0 HB ILE A 95 10.732 14.187 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.173 15.957 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.358 16.226 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.698 14.311 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.038 12.644 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.757 13.582 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.869 16.695 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.266 15.311 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.094 15.038 5.240 1.00 0.00 H new ATOM 1407 N ALA A 96 9.286 10.918 3.856 1.00 0.00 N ATOM 1408 CA ALA A 96 9.556 9.554 3.419 1.00 0.00 C ATOM 1409 C ALA A 96 8.539 9.100 2.378 1.00 0.00 C ATOM 1410 O ALA A 96 7.346 9.375 2.500 1.00 0.00 O ATOM 1411 CB ALA A 96 9.554 8.608 4.610 1.00 0.00 C ATOM 0 H ALA A 96 8.311 11.099 4.093 1.00 0.00 H new ATOM 0 HA ALA A 96 10.543 9.535 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.757 7.593 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.324 8.913 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.580 8.639 5.098 1.00 0.00 H new ATOM 1417 N ALA A 97 9.020 8.403 1.353 1.00 0.00 N ATOM 1418 CA ALA A 97 8.152 7.909 0.291 1.00 0.00 C ATOM 1419 C ALA A 97 7.853 6.425 0.472 1.00 0.00 C ATOM 1420 O ALA A 97 8.759 5.623 0.703 1.00 0.00 O ATOM 1421 CB ALA A 97 8.787 8.159 -1.069 1.00 0.00 C ATOM 0 H ALA A 97 10.006 8.168 1.236 1.00 0.00 H new ATOM 0 HA ALA A 97 7.209 8.452 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.128 7.785 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.943 9.229 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.745 7.642 -1.124 1.00 0.00 H new ATOM 1427 N ILE A 98 6.578 6.066 0.367 1.00 0.00 N ATOM 1428 CA ILE A 98 6.161 4.677 0.519 1.00 0.00 C ATOM 1429 C ILE A 98 5.237 4.253 -0.618 1.00 0.00 C ATOM 1430 O ILE A 98 4.337 4.996 -1.010 1.00 0.00 O ATOM 1431 CB ILE A 98 5.442 4.449 1.862 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.366 4.808 3.028 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.975 3.006 1.974 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.685 4.754 4.377 1.00 0.00 C ATOM 0 H ILE A 98 5.816 6.717 0.177 1.00 0.00 H new ATOM 0 HA ILE A 98 7.067 4.071 0.493 1.00 0.00 H new ATOM 0 HB ILE A 98 4.567 5.098 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.216 4.125 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.764 5.811 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.469 2.860 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.286 2.782 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.835 2.339 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.399 5.020 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.852 5.457 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.312 3.746 4.556 1.00 0.00 H new ATOM 1446 N VAL A 99 5.465 3.053 -1.142 1.00 0.00 N ATOM 1447 CA VAL A 99 4.651 2.528 -2.232 1.00 0.00 C ATOM 1448 C VAL A 99 3.836 1.322 -1.778 1.00 0.00 C ATOM 1449 O VAL A 99 4.344 0.202 -1.719 1.00 0.00 O ATOM 1450 CB VAL A 99 5.522 2.121 -3.436 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.649 1.777 -4.633 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.503 3.231 -3.782 1.00 0.00 C ATOM 0 H VAL A 99 6.206 2.426 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 99 3.974 3.327 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 99 6.094 1.233 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.281 1.492 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.990 0.947 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.049 2.645 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.110 2.927 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.953 4.138 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.150 3.425 -2.926 1.00 0.00 H new ATOM 1462 N VAL A 100 2.568 1.559 -1.457 1.00 0.00 N ATOM 1463 CA VAL A 100 1.681 0.492 -1.010 1.00 0.00 C ATOM 1464 C VAL A 100 0.767 0.028 -2.138 1.00 0.00 C ATOM 1465 O VAL A 100 0.695 0.658 -3.193 1.00 0.00 O ATOM 1466 CB VAL A 100 0.817 0.944 0.183 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.695 1.330 1.363 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.086 2.100 -0.221 1.00 0.00 C ATOM 0 H VAL A 100 2.132 2.480 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 100 2.316 -0.337 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 100 0.186 0.109 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.067 1.646 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.295 0.472 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.354 2.149 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.689 2.406 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.524 2.939 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.741 1.783 -1.033 1.00 0.00 H new ATOM 1478 N LYS A 101 0.068 -1.078 -1.909 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.844 -1.628 -2.904 1.00 0.00 C ATOM 1480 C LYS A 101 -2.141 -2.100 -2.253 1.00 0.00 C ATOM 1481 O LYS A 101 -2.132 -3.000 -1.413 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.181 -2.791 -3.647 1.00 0.00 C ATOM 1483 CG LYS A 101 0.261 -3.922 -2.735 1.00 0.00 C ATOM 1484 CD LYS A 101 0.963 -5.023 -3.512 1.00 0.00 C ATOM 1485 CE LYS A 101 1.041 -6.310 -2.706 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.951 -7.305 -3.338 1.00 0.00 N ATOM 0 H LYS A 101 0.116 -1.612 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.082 -0.838 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.879 -3.184 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.685 -2.416 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.931 -3.532 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.606 -4.335 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.430 -5.208 -4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.969 -4.698 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.391 -6.087 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.044 -6.739 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.977 -8.168 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.604 -7.537 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.909 -6.905 -3.407 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.253 -1.488 -2.647 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.556 -1.846 -2.102 1.00 0.00 C ATOM 1502 C ARG A 102 -5.372 -2.639 -3.119 1.00 0.00 C ATOM 1503 O ARG A 102 -5.428 -2.304 -4.302 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.322 -0.589 -1.686 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.579 0.271 -0.676 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.056 1.714 -0.716 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.997 2.651 -0.349 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.226 3.860 0.152 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.470 4.276 0.345 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.210 4.654 0.461 1.00 0.00 N ATOM 0 H ARG A 102 -3.277 -0.742 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.395 -2.472 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.533 0.008 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.283 -0.883 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.725 -0.134 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.509 0.234 -0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.417 1.949 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.899 1.836 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.029 2.361 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.254 3.667 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.643 5.205 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.252 4.337 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.387 5.582 0.846 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.020 -3.715 -2.649 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.844 -4.577 -3.501 1.00 0.00 C ATOM 1526 C PRO A 103 -8.124 -3.886 -3.960 1.00 0.00 C ATOM 1527 O PRO A 103 -8.862 -3.325 -3.150 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.174 -5.764 -2.592 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.077 -5.219 -1.208 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.998 -4.173 -1.250 1.00 0.00 C ATOM 0 HA PRO A 103 -6.327 -4.856 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.172 -6.153 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.474 -6.586 -2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.027 -4.788 -0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.830 -6.006 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.202 -3.357 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.027 -4.587 -0.978 1.00 0.00 H new