USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= -0.834 (180deg=-0.877) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 44:sc= -0.839 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.0972 (180deg=-0.912) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= 0.314 (180deg=0.0352) USER MOD Single : A 50 SER OG : rot 12:sc= 0.633! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0019 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.0451 (180deg=-0.354) USER MOD Single : A 75 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 39:sc= 0.998 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.0083) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.77! C(o=-2.8!,f=-4.4!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 MET CE :methyl 178:sc= -0.757 (180deg=-0.783) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.424 -0.652 12.714 1.00 0.00 N ATOM 105 CA VAL A 11 -0.464 -1.558 11.573 1.00 0.00 C ATOM 106 C VAL A 11 -1.878 -1.680 11.017 1.00 0.00 C ATOM 107 O VAL A 11 -2.849 -1.763 11.770 1.00 0.00 O ATOM 108 CB VAL A 11 0.049 -2.960 11.951 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.039 -3.901 10.760 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.475 -2.881 12.475 1.00 0.00 C ATOM 0 HA VAL A 11 0.188 -1.134 10.810 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.584 -3.358 12.744 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.328 -4.886 11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.076 -3.981 10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.568 -3.512 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.822 -3.880 12.737 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.123 -2.462 11.705 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.503 -2.243 13.359 1.00 0.00 H new ATOM 120 N THR A 12 -1.989 -1.692 9.692 1.00 0.00 N ATOM 121 CA THR A 12 -3.284 -1.803 9.034 1.00 0.00 C ATOM 122 C THR A 12 -3.640 -3.260 8.762 1.00 0.00 C ATOM 123 O THR A 12 -4.772 -3.687 8.990 1.00 0.00 O ATOM 124 CB THR A 12 -3.308 -1.024 7.705 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.972 0.349 7.935 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.678 -1.113 7.050 1.00 0.00 C ATOM 0 H THR A 12 -1.196 -1.626 9.054 1.00 0.00 H new ATOM 0 HA THR A 12 -4.020 -1.372 9.712 1.00 0.00 H new ATOM 0 HB THR A 12 -2.573 -1.470 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.988 0.836 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.670 -0.555 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.918 -2.157 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.429 -0.690 7.718 1.00 0.00 H new ATOM 134 N LYS A 13 -2.666 -4.021 8.274 1.00 0.00 N ATOM 135 CA LYS A 13 -2.874 -5.432 7.973 1.00 0.00 C ATOM 136 C LYS A 13 -1.549 -6.187 7.958 1.00 0.00 C ATOM 137 O LYS A 13 -0.494 -5.603 7.710 1.00 0.00 O ATOM 138 CB LYS A 13 -3.577 -5.588 6.622 1.00 0.00 C ATOM 139 CG LYS A 13 -3.874 -7.031 6.254 1.00 0.00 C ATOM 140 CD LYS A 13 -5.055 -7.132 5.303 1.00 0.00 C ATOM 141 CE LYS A 13 -5.248 -8.556 4.803 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.681 -8.861 4.538 1.00 0.00 N ATOM 0 H LYS A 13 -1.724 -3.683 8.078 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.504 -5.855 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.511 -5.027 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.955 -5.144 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.994 -7.478 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.084 -7.602 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.961 -6.797 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.899 -6.465 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.671 -8.702 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.858 -9.256 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.755 -9.764 4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.194 -8.930 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.096 -8.102 3.961 1.00 0.00 H new ATOM 156 N ALA A 14 -1.611 -7.487 8.224 1.00 0.00 N ATOM 157 CA ALA A 14 -0.416 -8.322 8.238 1.00 0.00 C ATOM 158 C ALA A 14 -0.774 -9.796 8.081 1.00 0.00 C ATOM 159 O ALA A 14 -1.704 -10.290 8.718 1.00 0.00 O ATOM 160 CB ALA A 14 0.368 -8.101 9.523 1.00 0.00 C ATOM 0 H ALA A 14 -2.476 -7.985 8.433 1.00 0.00 H new ATOM 0 HA ALA A 14 0.207 -8.035 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.257 -8.731 9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.665 -7.055 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.256 -8.359 10.379 1.00 0.00 H new ATOM 166 N GLY A 15 -0.030 -10.494 7.229 1.00 0.00 N ATOM 167 CA GLY A 15 -0.286 -11.905 7.004 1.00 0.00 C ATOM 168 C GLY A 15 0.728 -12.536 6.070 1.00 0.00 C ATOM 169 O GLY A 15 1.484 -11.835 5.398 1.00 0.00 O ATOM 0 H GLY A 15 0.745 -10.108 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.272 -12.430 7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.286 -12.028 6.587 1.00 0.00 H new ATOM 173 N TRP A 16 0.745 -13.863 6.029 1.00 0.00 N ATOM 174 CA TRP A 16 1.676 -14.589 5.172 1.00 0.00 C ATOM 175 C TRP A 16 1.192 -14.597 3.726 1.00 0.00 C ATOM 176 O TRP A 16 0.119 -15.121 3.423 1.00 0.00 O ATOM 177 CB TRP A 16 1.849 -16.024 5.672 1.00 0.00 C ATOM 178 CG TRP A 16 2.640 -16.120 6.941 1.00 0.00 C ATOM 179 CD1 TRP A 16 2.148 -16.133 8.215 1.00 0.00 C ATOM 180 CD2 TRP A 16 4.064 -16.213 7.058 1.00 0.00 C ATOM 181 NE1 TRP A 16 3.181 -16.229 9.117 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.366 -16.281 8.432 1.00 0.00 C ATOM 183 CE3 TRP A 16 5.113 -16.248 6.135 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.673 -16.380 8.903 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.410 -16.346 6.604 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.680 -16.412 7.978 1.00 0.00 C ATOM 0 H TRP A 16 0.125 -14.458 6.579 1.00 0.00 H new ATOM 0 HA TRP A 16 2.639 -14.079 5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.866 -16.467 5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.343 -16.613 4.899 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.101 -16.076 8.475 1.00 0.00 H new ATOM 0 HE1 TRP A 16 3.081 -16.257 10.132 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.914 -16.199 5.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.884 -16.430 9.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.229 -16.372 5.900 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.704 -16.490 8.313 1.00 0.00 H new ATOM 197 N LEU A 17 1.988 -14.012 2.838 1.00 0.00 N ATOM 198 CA LEU A 17 1.640 -13.952 1.422 1.00 0.00 C ATOM 199 C LEU A 17 2.776 -14.491 0.559 1.00 0.00 C ATOM 200 O LEU A 17 3.918 -14.589 1.008 1.00 0.00 O ATOM 201 CB LEU A 17 1.316 -12.513 1.017 1.00 0.00 C ATOM 202 CG LEU A 17 -0.144 -12.085 1.173 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.294 -10.595 0.910 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.037 -12.886 0.236 1.00 0.00 C ATOM 0 H LEU A 17 2.878 -13.573 3.073 1.00 0.00 H new ATOM 0 HA LEU A 17 0.760 -14.575 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.936 -11.841 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.605 -12.376 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.454 -12.285 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.339 -10.309 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.316 -10.037 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.034 -10.370 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.072 -12.569 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.727 -12.717 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.952 -13.947 0.471 1.00 0.00 H new ATOM 216 N PHE A 18 2.455 -14.838 -0.683 1.00 0.00 N ATOM 217 CA PHE A 18 3.449 -15.367 -1.610 1.00 0.00 C ATOM 218 C PHE A 18 3.845 -14.313 -2.641 1.00 0.00 C ATOM 219 O PHE A 18 3.008 -13.822 -3.398 1.00 0.00 O ATOM 220 CB PHE A 18 2.906 -16.610 -2.318 1.00 0.00 C ATOM 221 CG PHE A 18 2.922 -17.843 -1.460 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.283 -17.855 -0.231 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.575 -18.989 -1.884 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.297 -18.988 0.561 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.591 -20.126 -1.097 1.00 0.00 C ATOM 226 CZ PHE A 18 2.951 -20.125 0.127 1.00 0.00 C ATOM 0 H PHE A 18 1.515 -14.762 -1.071 1.00 0.00 H new ATOM 0 HA PHE A 18 4.335 -15.641 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.884 -16.416 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.496 -16.794 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.768 -16.970 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.077 -18.994 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.797 -18.984 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.103 -21.013 -1.439 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.962 -21.012 0.744 1.00 0.00 H new ATOM 236 N LYS A 19 5.129 -13.970 -2.663 1.00 0.00 N ATOM 237 CA LYS A 19 5.639 -12.976 -3.600 1.00 0.00 C ATOM 238 C LYS A 19 6.376 -13.645 -4.755 1.00 0.00 C ATOM 239 O LYS A 19 7.264 -14.470 -4.541 1.00 0.00 O ATOM 240 CB LYS A 19 6.574 -12.001 -2.881 1.00 0.00 C ATOM 241 CG LYS A 19 6.822 -10.716 -3.652 1.00 0.00 C ATOM 242 CD LYS A 19 8.112 -10.043 -3.213 1.00 0.00 C ATOM 243 CE LYS A 19 8.044 -8.535 -3.398 1.00 0.00 C ATOM 244 NZ LYS A 19 9.385 -7.949 -3.677 1.00 0.00 N ATOM 0 H LYS A 19 5.835 -14.366 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 19 4.790 -12.425 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.150 -11.755 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.528 -12.495 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.869 -10.934 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.985 -10.034 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.306 -10.274 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.947 -10.444 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.367 -8.300 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.627 -8.077 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.296 -6.920 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.024 -8.151 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.772 -8.367 -4.547 1.00 0.00 H new ATOM 258 N GLN A 20 6.003 -13.283 -5.978 1.00 0.00 N ATOM 259 CA GLN A 20 6.630 -13.848 -7.167 1.00 0.00 C ATOM 260 C GLN A 20 8.136 -13.608 -7.155 1.00 0.00 C ATOM 261 O GLN A 20 8.605 -12.571 -6.685 1.00 0.00 O ATOM 262 CB GLN A 20 6.015 -13.244 -8.430 1.00 0.00 C ATOM 263 CG GLN A 20 6.254 -14.074 -9.681 1.00 0.00 C ATOM 264 CD GLN A 20 5.728 -13.405 -10.935 1.00 0.00 C ATOM 265 OE1 GLN A 20 6.024 -12.240 -11.202 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.944 -14.141 -11.715 1.00 0.00 N ATOM 0 H GLN A 20 5.270 -12.601 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 20 6.452 -14.923 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.942 -13.127 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.426 -12.246 -8.582 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.323 -14.257 -9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.775 -15.046 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.724 -15.103 -11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.562 -13.744 -12.574 1.00 0.00 H new ATOM 275 N ALA A 21 8.889 -14.573 -7.673 1.00 0.00 N ATOM 276 CA ALA A 21 10.341 -14.465 -7.723 1.00 0.00 C ATOM 277 C ALA A 21 10.797 -13.783 -9.008 1.00 0.00 C ATOM 278 O ALA A 21 10.408 -14.182 -10.106 1.00 0.00 O ATOM 279 CB ALA A 21 10.977 -15.842 -7.600 1.00 0.00 C ATOM 0 H ALA A 21 8.517 -15.438 -8.064 1.00 0.00 H new ATOM 0 HA ALA A 21 10.664 -13.851 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.062 -15.746 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.686 -16.294 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.639 -16.474 -8.421 1.00 0.00 H new ATOM 352 N GLN A 27 9.326 -18.771 -9.736 1.00 0.00 N ATOM 353 CA GLN A 27 8.530 -19.490 -8.749 1.00 0.00 C ATOM 354 C GLN A 27 8.046 -18.549 -7.651 1.00 0.00 C ATOM 355 O GLN A 27 8.665 -17.518 -7.386 1.00 0.00 O ATOM 356 CB GLN A 27 9.346 -20.630 -8.137 1.00 0.00 C ATOM 357 CG GLN A 27 10.575 -20.159 -7.376 1.00 0.00 C ATOM 358 CD GLN A 27 11.314 -21.296 -6.699 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.172 -21.941 -7.303 1.00 0.00 O ATOM 360 NE2 GLN A 27 10.984 -21.549 -5.438 1.00 0.00 N ATOM 0 HA GLN A 27 7.659 -19.907 -9.255 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.708 -21.201 -7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.658 -21.309 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.251 -19.650 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.275 -19.428 -6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.267 -20.989 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.447 -22.303 -4.931 1.00 0.00 H new ATOM 369 N TRP A 28 6.937 -18.910 -7.015 1.00 0.00 N ATOM 370 CA TRP A 28 6.370 -18.098 -5.945 1.00 0.00 C ATOM 371 C TRP A 28 6.984 -18.465 -4.599 1.00 0.00 C ATOM 372 O TRP A 28 7.112 -19.643 -4.266 1.00 0.00 O ATOM 373 CB TRP A 28 4.852 -18.274 -5.893 1.00 0.00 C ATOM 374 CG TRP A 28 4.151 -17.750 -7.110 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.221 -18.255 -8.377 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.275 -16.619 -7.175 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.442 -17.506 -9.226 1.00 0.00 N ATOM 378 CE2 TRP A 28 2.851 -16.497 -8.512 1.00 0.00 C ATOM 379 CE3 TRP A 28 2.807 -15.699 -6.233 1.00 0.00 C ATOM 380 CZ2 TRP A 28 1.983 -15.491 -8.928 1.00 0.00 C ATOM 381 CZ3 TRP A 28 1.946 -14.702 -6.647 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.540 -14.604 -7.985 1.00 0.00 C ATOM 0 H TRP A 28 6.413 -19.760 -7.222 1.00 0.00 H new ATOM 0 HA TRP A 28 6.600 -17.053 -6.155 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.620 -19.333 -5.776 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.464 -17.764 -5.011 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.803 -19.117 -8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.323 -17.674 -10.225 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.113 -15.767 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.670 -15.413 -9.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.579 -13.985 -5.927 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.865 -13.813 -8.277 1.00 0.00 H new ATOM 393 N ASN A 29 7.361 -17.450 -3.828 1.00 0.00 N ATOM 394 CA ASN A 29 7.961 -17.668 -2.517 1.00 0.00 C ATOM 395 C ASN A 29 7.086 -17.082 -1.413 1.00 0.00 C ATOM 396 O ASN A 29 6.417 -16.067 -1.609 1.00 0.00 O ATOM 397 CB ASN A 29 9.357 -17.044 -2.462 1.00 0.00 C ATOM 398 CG ASN A 29 10.440 -18.009 -2.902 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.907 -18.835 -2.118 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.845 -17.909 -4.163 1.00 0.00 N ATOM 0 H ASN A 29 7.262 -16.469 -4.089 1.00 0.00 H new ATOM 0 HA ASN A 29 8.044 -18.743 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.382 -16.160 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.563 -16.710 -1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.571 -18.532 -4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.430 -17.209 -4.778 1.00 0.00 H new ATOM 407 N LYS A 30 7.096 -17.727 -0.252 1.00 0.00 N ATOM 408 CA LYS A 30 6.305 -17.271 0.885 1.00 0.00 C ATOM 409 C LYS A 30 7.102 -16.295 1.744 1.00 0.00 C ATOM 410 O LYS A 30 8.264 -16.543 2.067 1.00 0.00 O ATOM 411 CB LYS A 30 5.856 -18.463 1.732 1.00 0.00 C ATOM 412 CG LYS A 30 4.834 -18.103 2.796 1.00 0.00 C ATOM 413 CD LYS A 30 4.224 -19.343 3.427 1.00 0.00 C ATOM 414 CE LYS A 30 3.798 -19.086 4.864 1.00 0.00 C ATOM 415 NZ LYS A 30 3.873 -20.320 5.694 1.00 0.00 N ATOM 0 H LYS A 30 7.644 -18.569 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 30 5.425 -16.755 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.433 -19.225 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.728 -18.905 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.309 -17.497 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.046 -17.494 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.361 -19.663 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.947 -20.159 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.435 -18.316 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.778 -18.701 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.575 -20.103 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.246 -21.046 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.851 -20.674 5.703 1.00 0.00 H new ATOM 429 N ARG A 31 6.470 -15.186 2.114 1.00 0.00 N ATOM 430 CA ARG A 31 7.120 -14.173 2.936 1.00 0.00 C ATOM 431 C ARG A 31 6.099 -13.430 3.792 1.00 0.00 C ATOM 432 O ARG A 31 4.923 -13.344 3.439 1.00 0.00 O ATOM 433 CB ARG A 31 7.881 -13.181 2.055 1.00 0.00 C ATOM 434 CG ARG A 31 8.982 -12.434 2.789 1.00 0.00 C ATOM 435 CD ARG A 31 10.286 -13.218 2.784 1.00 0.00 C ATOM 436 NE ARG A 31 10.208 -14.414 3.618 1.00 0.00 N ATOM 437 CZ ARG A 31 10.981 -15.481 3.446 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.884 -15.500 2.475 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.851 -16.531 4.246 1.00 0.00 N ATOM 0 H ARG A 31 5.508 -14.966 1.857 1.00 0.00 H new ATOM 0 HA ARG A 31 7.825 -14.676 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.317 -13.717 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.176 -12.459 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.139 -11.462 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.673 -12.246 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.533 -13.504 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.094 -12.580 3.140 1.00 0.00 H new ATOM 0 HE ARG A 31 9.523 -14.431 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.986 -14.694 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.476 -16.320 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.157 -16.520 4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.445 -17.350 4.113 1.00 0.00 H new ATOM 453 N TRP A 32 6.556 -12.896 4.919 1.00 0.00 N ATOM 454 CA TRP A 32 5.682 -12.160 5.826 1.00 0.00 C ATOM 455 C TRP A 32 5.444 -10.741 5.322 1.00 0.00 C ATOM 456 O TRP A 32 6.373 -9.936 5.243 1.00 0.00 O ATOM 457 CB TRP A 32 6.286 -12.122 7.230 1.00 0.00 C ATOM 458 CG TRP A 32 5.379 -11.503 8.251 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.647 -10.415 9.033 1.00 0.00 C ATOM 460 CD2 TRP A 32 4.060 -11.936 8.600 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.573 -10.147 9.847 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.587 -11.064 9.600 1.00 0.00 C ATOM 463 CE3 TRP A 32 3.232 -12.973 8.164 1.00 0.00 C ATOM 464 CZ2 TRP A 32 2.324 -11.202 10.170 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.979 -13.109 8.730 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.534 -12.227 9.724 1.00 0.00 C ATOM 0 H TRP A 32 7.526 -12.959 5.227 1.00 0.00 H new ATOM 0 HA TRP A 32 4.723 -12.676 5.865 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.530 -13.138 7.540 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.222 -11.564 7.200 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.567 -9.849 9.014 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.519 -9.387 10.526 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.566 -13.657 7.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.980 -10.524 10.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.332 -13.908 8.401 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.549 -12.359 10.146 1.00 0.00 H new ATOM 477 N PHE A 33 4.195 -10.440 4.982 1.00 0.00 N ATOM 478 CA PHE A 33 3.837 -9.116 4.484 1.00 0.00 C ATOM 479 C PHE A 33 3.038 -8.341 5.528 1.00 0.00 C ATOM 480 O PHE A 33 2.090 -8.863 6.114 1.00 0.00 O ATOM 481 CB PHE A 33 3.027 -9.236 3.192 1.00 0.00 C ATOM 482 CG PHE A 33 3.877 -9.399 1.965 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.245 -10.659 1.522 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.310 -8.291 1.254 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.027 -10.812 0.392 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.091 -8.438 0.124 1.00 0.00 C ATOM 487 CZ PHE A 33 5.451 -9.700 -0.307 1.00 0.00 C ATOM 0 H PHE A 33 3.414 -11.094 5.042 1.00 0.00 H new ATOM 0 HA PHE A 33 4.758 -8.571 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.353 -10.089 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.405 -8.348 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.917 -11.532 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.034 -7.301 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.306 -11.800 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.420 -7.566 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.063 -9.816 -1.189 1.00 0.00 H new ATOM 497 N VAL A 34 3.430 -7.091 5.756 1.00 0.00 N ATOM 498 CA VAL A 34 2.751 -6.243 6.728 1.00 0.00 C ATOM 499 C VAL A 34 2.420 -4.880 6.131 1.00 0.00 C ATOM 500 O VAL A 34 3.312 -4.078 5.851 1.00 0.00 O ATOM 501 CB VAL A 34 3.608 -6.042 7.993 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.883 -5.156 8.994 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.961 -7.385 8.614 1.00 0.00 C ATOM 0 H VAL A 34 4.214 -6.644 5.281 1.00 0.00 H new ATOM 0 HA VAL A 34 1.826 -6.752 7.001 1.00 0.00 H new ATOM 0 HB VAL A 34 4.535 -5.544 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.503 -5.025 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.685 -4.184 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.940 -5.623 9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.566 -7.225 9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.046 -7.912 8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.524 -7.981 7.896 1.00 0.00 H new ATOM 513 N LEU A 35 1.131 -4.622 5.939 1.00 0.00 N ATOM 514 CA LEU A 35 0.679 -3.355 5.375 1.00 0.00 C ATOM 515 C LEU A 35 0.736 -2.244 6.419 1.00 0.00 C ATOM 516 O LEU A 35 0.463 -2.471 7.597 1.00 0.00 O ATOM 517 CB LEU A 35 -0.746 -3.492 4.836 1.00 0.00 C ATOM 518 CG LEU A 35 -1.481 -2.184 4.543 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.833 -1.457 3.375 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.952 -2.452 4.256 1.00 0.00 C ATOM 0 H LEU A 35 0.380 -5.274 6.166 1.00 0.00 H new ATOM 0 HA LEU A 35 1.346 -3.092 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.711 -4.079 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.333 -4.062 5.557 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.413 -1.546 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.370 -0.528 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.206 -1.232 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.869 -2.089 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.460 -1.510 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.040 -3.109 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.411 -2.929 5.122 1.00 0.00 H new ATOM 532 N VAL A 36 1.089 -1.041 5.976 1.00 0.00 N ATOM 533 CA VAL A 36 1.178 0.107 6.871 1.00 0.00 C ATOM 534 C VAL A 36 0.354 1.277 6.347 1.00 0.00 C ATOM 535 O VAL A 36 -0.200 1.217 5.249 1.00 0.00 O ATOM 536 CB VAL A 36 2.638 0.563 7.056 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.122 1.314 5.825 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.773 1.422 8.304 1.00 0.00 C ATOM 0 H VAL A 36 1.318 -0.836 5.003 1.00 0.00 H new ATOM 0 HA VAL A 36 0.780 -0.211 7.835 1.00 0.00 H new ATOM 0 HB VAL A 36 3.264 -0.320 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.155 1.629 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.063 0.661 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.495 2.191 5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.811 1.735 8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.136 2.302 8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.469 0.845 9.177 1.00 0.00 H new ATOM 548 N ASP A 37 0.278 2.341 7.139 1.00 0.00 N ATOM 549 CA ASP A 37 -0.478 3.528 6.754 1.00 0.00 C ATOM 550 C ASP A 37 -0.503 3.688 5.238 1.00 0.00 C ATOM 551 O ASP A 37 -1.516 3.418 4.592 1.00 0.00 O ATOM 552 CB ASP A 37 0.126 4.775 7.402 1.00 0.00 C ATOM 553 CG ASP A 37 -0.494 5.086 8.750 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.516 5.802 8.781 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.044 4.613 9.774 1.00 0.00 O ATOM 0 H ASP A 37 0.730 2.406 8.051 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.503 3.406 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.200 4.634 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.010 5.628 6.737 1.00 0.00 H new ATOM 560 N ARG A 38 0.618 4.130 4.676 1.00 0.00 N ATOM 561 CA ARG A 38 0.723 4.328 3.235 1.00 0.00 C ATOM 562 C ARG A 38 1.952 3.616 2.677 1.00 0.00 C ATOM 563 O ARG A 38 2.753 4.212 1.956 1.00 0.00 O ATOM 564 CB ARG A 38 0.794 5.821 2.909 1.00 0.00 C ATOM 565 CG ARG A 38 -0.566 6.460 2.679 1.00 0.00 C ATOM 566 CD ARG A 38 -0.478 7.619 1.699 1.00 0.00 C ATOM 567 NE ARG A 38 -0.129 8.872 2.363 1.00 0.00 N ATOM 568 CZ ARG A 38 -0.419 10.071 1.870 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.061 10.179 0.714 1.00 0.00 N ATOM 570 NH2 ARG A 38 -0.068 11.165 2.533 1.00 0.00 N ATOM 0 H ARG A 38 1.465 4.358 5.196 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.165 3.902 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.296 6.339 3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.407 5.961 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.261 5.712 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.968 6.814 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.267 7.393 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.433 7.734 1.187 1.00 0.00 H new ATOM 0 HE ARG A 38 0.365 8.824 3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.333 9.340 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.282 11.101 0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.425 11.086 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.291 12.085 2.153 1.00 0.00 H new ATOM 584 N CYS A 39 2.092 2.339 3.014 1.00 0.00 N ATOM 585 CA CYS A 39 3.223 1.545 2.548 1.00 0.00 C ATOM 586 C CYS A 39 3.029 0.070 2.885 1.00 0.00 C ATOM 587 O CYS A 39 2.028 -0.312 3.493 1.00 0.00 O ATOM 588 CB CYS A 39 4.523 2.056 3.171 1.00 0.00 C ATOM 589 SG CYS A 39 5.383 3.295 2.174 1.00 0.00 S ATOM 0 H CYS A 39 1.437 1.831 3.608 1.00 0.00 H new ATOM 0 HA CYS A 39 3.283 1.646 1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.301 2.483 4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.191 1.211 3.336 1.00 0.00 H new ATOM 0 HG CYS A 39 4.523 4.153 1.712 1.00 0.00 H new ATOM 595 N LEU A 40 3.990 -0.755 2.484 1.00 0.00 N ATOM 596 CA LEU A 40 3.924 -2.189 2.742 1.00 0.00 C ATOM 597 C LEU A 40 5.319 -2.770 2.948 1.00 0.00 C ATOM 598 O LEU A 40 6.125 -2.820 2.018 1.00 0.00 O ATOM 599 CB LEU A 40 3.226 -2.904 1.584 1.00 0.00 C ATOM 600 CG LEU A 40 3.263 -4.432 1.619 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.554 -4.955 2.858 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.635 -5.010 0.359 1.00 0.00 C ATOM 0 H LEU A 40 4.824 -0.455 1.979 1.00 0.00 H new ATOM 0 HA LEU A 40 3.349 -2.343 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.184 -2.586 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.680 -2.571 0.651 1.00 0.00 H new ATOM 0 HG LEU A 40 4.305 -4.750 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.591 -6.044 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.048 -4.569 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.515 -4.627 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.670 -6.099 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.598 -4.683 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.187 -4.663 -0.515 1.00 0.00 H new ATOM 614 N PHE A 41 5.597 -3.210 4.170 1.00 0.00 N ATOM 615 CA PHE A 41 6.895 -3.790 4.497 1.00 0.00 C ATOM 616 C PHE A 41 6.785 -5.300 4.685 1.00 0.00 C ATOM 617 O PHE A 41 5.773 -5.803 5.174 1.00 0.00 O ATOM 618 CB PHE A 41 7.459 -3.147 5.766 1.00 0.00 C ATOM 619 CG PHE A 41 7.538 -1.648 5.694 1.00 0.00 C ATOM 620 CD1 PHE A 41 6.423 -0.869 5.958 1.00 0.00 C ATOM 621 CD2 PHE A 41 8.728 -1.019 5.363 1.00 0.00 C ATOM 622 CE1 PHE A 41 6.493 0.510 5.893 1.00 0.00 C ATOM 623 CE2 PHE A 41 8.803 0.359 5.297 1.00 0.00 C ATOM 624 CZ PHE A 41 7.684 1.125 5.561 1.00 0.00 C ATOM 0 H PHE A 41 4.941 -3.176 4.951 1.00 0.00 H new ATOM 0 HA PHE A 41 7.572 -3.594 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.836 -3.430 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.455 -3.547 5.954 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.489 -1.345 6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.606 -1.612 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.617 1.106 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.736 0.837 5.039 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.741 2.202 5.508 1.00 0.00 H new ATOM 634 N TYR A 42 7.832 -6.017 4.293 1.00 0.00 N ATOM 635 CA TYR A 42 7.853 -7.470 4.415 1.00 0.00 C ATOM 636 C TYR A 42 9.131 -7.941 5.102 1.00 0.00 C ATOM 637 O TYR A 42 10.154 -7.257 5.071 1.00 0.00 O ATOM 638 CB TYR A 42 7.733 -8.120 3.035 1.00 0.00 C ATOM 639 CG TYR A 42 8.899 -7.820 2.121 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.032 -8.624 2.122 1.00 0.00 C ATOM 641 CD2 TYR A 42 8.867 -6.733 1.256 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.100 -8.353 1.289 1.00 0.00 C ATOM 643 CE2 TYR A 42 9.930 -6.456 0.418 1.00 0.00 C ATOM 644 CZ TYR A 42 11.045 -7.268 0.439 1.00 0.00 C ATOM 645 OH TYR A 42 12.106 -6.996 -0.394 1.00 0.00 O ATOM 0 H TYR A 42 8.678 -5.616 3.888 1.00 0.00 H new ATOM 0 HA TYR A 42 7.002 -7.770 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.647 -9.200 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.813 -7.778 2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.079 -9.475 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.997 -6.094 1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.974 -8.988 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.888 -5.608 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 42 11.907 -6.199 -0.928 1.00 0.00 H new ATOM 655 N TYR A 43 9.063 -9.114 5.721 1.00 0.00 N ATOM 656 CA TYR A 43 10.214 -9.677 6.418 1.00 0.00 C ATOM 657 C TYR A 43 10.312 -11.181 6.180 1.00 0.00 C ATOM 658 O TYR A 43 9.319 -11.839 5.869 1.00 0.00 O ATOM 659 CB TYR A 43 10.118 -9.392 7.918 1.00 0.00 C ATOM 660 CG TYR A 43 9.556 -8.026 8.239 1.00 0.00 C ATOM 661 CD1 TYR A 43 8.235 -7.709 7.946 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.345 -7.052 8.838 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.718 -6.462 8.237 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.836 -5.802 9.135 1.00 0.00 C ATOM 665 CZ TYR A 43 8.522 -5.512 8.832 1.00 0.00 C ATOM 666 OH TYR A 43 8.010 -4.269 9.126 1.00 0.00 O ATOM 0 H TYR A 43 8.224 -9.693 5.755 1.00 0.00 H new ATOM 0 HA TYR A 43 11.113 -9.205 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.492 -10.152 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.110 -9.481 8.361 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.602 -8.451 7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.374 -7.276 9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.690 -6.232 8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.463 -5.057 9.601 1.00 0.00 H new ATOM 0 HH TYR A 43 8.706 -3.719 9.543 1.00 0.00 H new ATOM 676 N LYS A 44 11.517 -11.720 6.329 1.00 0.00 N ATOM 677 CA LYS A 44 11.748 -13.146 6.134 1.00 0.00 C ATOM 678 C LYS A 44 10.697 -13.973 6.867 1.00 0.00 C ATOM 679 O LYS A 44 10.140 -14.920 6.312 1.00 0.00 O ATOM 680 CB LYS A 44 13.147 -13.529 6.623 1.00 0.00 C ATOM 681 CG LYS A 44 14.260 -13.083 5.690 1.00 0.00 C ATOM 682 CD LYS A 44 15.529 -13.890 5.912 1.00 0.00 C ATOM 683 CE LYS A 44 15.553 -15.139 5.045 1.00 0.00 C ATOM 684 NZ LYS A 44 14.920 -16.301 5.728 1.00 0.00 N ATOM 0 H LYS A 44 12.350 -11.190 6.585 1.00 0.00 H new ATOM 0 HA LYS A 44 11.672 -13.358 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.312 -13.090 7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.197 -14.611 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.935 -13.192 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.468 -12.025 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.398 -13.272 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.603 -14.173 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.032 -14.941 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.584 -15.385 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.318 -17.185 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.105 -16.246 6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.894 -16.285 5.561 1.00 0.00 H new ATOM 698 N ASP A 45 10.431 -13.609 8.117 1.00 0.00 N ATOM 699 CA ASP A 45 9.445 -14.316 8.926 1.00 0.00 C ATOM 700 C ASP A 45 8.708 -13.352 9.850 1.00 0.00 C ATOM 701 O ASP A 45 8.998 -12.156 9.873 1.00 0.00 O ATOM 702 CB ASP A 45 10.122 -15.414 9.748 1.00 0.00 C ATOM 703 CG ASP A 45 11.463 -14.978 10.303 1.00 0.00 C ATOM 704 OD1 ASP A 45 12.365 -14.664 9.498 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.612 -14.950 11.543 1.00 0.00 O ATOM 0 H ASP A 45 10.885 -12.828 8.592 1.00 0.00 H new ATOM 0 HA ASP A 45 8.719 -14.772 8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.468 -15.703 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.260 -16.298 9.125 1.00 0.00 H new ATOM 710 N GLU A 46 7.754 -13.881 10.609 1.00 0.00 N ATOM 711 CA GLU A 46 6.974 -13.065 11.533 1.00 0.00 C ATOM 712 C GLU A 46 7.886 -12.188 12.386 1.00 0.00 C ATOM 713 O GLU A 46 7.561 -11.037 12.682 1.00 0.00 O ATOM 714 CB GLU A 46 6.116 -13.956 12.435 1.00 0.00 C ATOM 715 CG GLU A 46 6.923 -14.949 13.254 1.00 0.00 C ATOM 716 CD GLU A 46 7.341 -14.391 14.601 1.00 0.00 C ATOM 717 OE1 GLU A 46 6.652 -13.481 15.107 1.00 0.00 O ATOM 718 OE2 GLU A 46 8.359 -14.865 15.148 1.00 0.00 O ATOM 0 H GLU A 46 7.502 -14.869 10.603 1.00 0.00 H new ATOM 0 HA GLU A 46 6.322 -12.419 10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.538 -13.325 13.111 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.401 -14.502 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.333 -15.853 13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.812 -15.239 12.694 1.00 0.00 H new ATOM 725 N LYS A 47 9.029 -12.739 12.779 1.00 0.00 N ATOM 726 CA LYS A 47 9.989 -12.008 13.598 1.00 0.00 C ATOM 727 C LYS A 47 10.079 -10.550 13.160 1.00 0.00 C ATOM 728 O LYS A 47 10.237 -9.653 13.987 1.00 0.00 O ATOM 729 CB LYS A 47 11.369 -12.664 13.509 1.00 0.00 C ATOM 730 CG LYS A 47 11.493 -13.933 14.333 1.00 0.00 C ATOM 731 CD LYS A 47 12.068 -13.650 15.711 1.00 0.00 C ATOM 732 CE LYS A 47 10.969 -13.474 16.748 1.00 0.00 C ATOM 733 NZ LYS A 47 10.506 -14.781 17.291 1.00 0.00 N ATOM 0 H LYS A 47 9.314 -13.690 12.544 1.00 0.00 H new ATOM 0 HA LYS A 47 9.644 -12.038 14.632 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.585 -12.895 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.123 -11.950 13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.513 -14.398 14.436 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.131 -14.646 13.811 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.723 -14.469 16.009 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.681 -12.750 15.673 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.336 -12.851 17.564 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.126 -12.948 16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.197 -14.658 18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.711 -15.132 16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.286 -15.467 17.256 1.00 0.00 H new ATOM 747 N GLU A 48 9.975 -10.321 11.854 1.00 0.00 N ATOM 748 CA GLU A 48 10.044 -8.971 11.308 1.00 0.00 C ATOM 749 C GLU A 48 11.011 -8.107 12.113 1.00 0.00 C ATOM 750 O GLU A 48 10.695 -6.973 12.471 1.00 0.00 O ATOM 751 CB GLU A 48 8.655 -8.328 11.300 1.00 0.00 C ATOM 752 CG GLU A 48 8.079 -8.106 12.688 1.00 0.00 C ATOM 753 CD GLU A 48 6.602 -7.767 12.659 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.805 -8.620 12.215 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.242 -6.648 13.081 1.00 0.00 O ATOM 0 H GLU A 48 9.843 -11.053 11.156 1.00 0.00 H new ATOM 0 HA GLU A 48 10.411 -9.040 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.710 -7.371 10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.974 -8.961 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.230 -9.003 13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.624 -7.299 13.179 1.00 0.00 H new ATOM 762 N GLU A 49 12.190 -8.653 12.394 1.00 0.00 N ATOM 763 CA GLU A 49 13.202 -7.933 13.157 1.00 0.00 C ATOM 764 C GLU A 49 13.884 -6.875 12.295 1.00 0.00 C ATOM 765 O GLU A 49 14.138 -5.759 12.748 1.00 0.00 O ATOM 766 CB GLU A 49 14.246 -8.907 13.708 1.00 0.00 C ATOM 767 CG GLU A 49 13.723 -9.789 14.830 1.00 0.00 C ATOM 768 CD GLU A 49 13.607 -9.050 16.148 1.00 0.00 C ATOM 769 OE1 GLU A 49 12.535 -8.464 16.408 1.00 0.00 O ATOM 770 OE2 GLU A 49 14.589 -9.057 16.920 1.00 0.00 O ATOM 0 H GLU A 49 12.467 -9.591 12.105 1.00 0.00 H new ATOM 0 HA GLU A 49 12.705 -7.434 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.604 -9.540 12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.103 -8.340 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.746 -10.183 14.552 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.388 -10.644 14.955 1.00 0.00 H new ATOM 777 N SER A 50 14.178 -7.234 11.049 1.00 0.00 N ATOM 778 CA SER A 50 14.834 -6.318 10.124 1.00 0.00 C ATOM 779 C SER A 50 14.072 -6.241 8.804 1.00 0.00 C ATOM 780 O SER A 50 13.864 -7.253 8.135 1.00 0.00 O ATOM 781 CB SER A 50 16.275 -6.763 9.869 1.00 0.00 C ATOM 782 OG SER A 50 16.318 -7.880 8.998 1.00 0.00 O ATOM 0 H SER A 50 13.972 -8.153 10.657 1.00 0.00 H new ATOM 0 HA SER A 50 14.842 -5.327 10.577 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.842 -5.939 9.436 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.753 -7.017 10.815 1.00 0.00 H new ATOM 0 HG SER A 50 15.433 -8.018 8.599 1.00 0.00 H new ATOM 788 N ILE A 51 13.659 -5.033 8.437 1.00 0.00 N ATOM 789 CA ILE A 51 12.922 -4.822 7.197 1.00 0.00 C ATOM 790 C ILE A 51 13.801 -5.092 5.981 1.00 0.00 C ATOM 791 O ILE A 51 14.928 -4.601 5.895 1.00 0.00 O ATOM 792 CB ILE A 51 12.368 -3.388 7.108 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.447 -3.099 8.295 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.627 -3.187 5.794 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.120 -1.631 8.462 1.00 0.00 C ATOM 0 H ILE A 51 13.822 -4.185 8.980 1.00 0.00 H new ATOM 0 HA ILE A 51 12.089 -5.525 7.203 1.00 0.00 H new ATOM 0 HB ILE A 51 13.203 -2.689 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.520 -3.658 8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.918 -3.464 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.241 -2.169 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.310 -3.356 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.798 -3.892 5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.463 -1.500 9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.040 -1.069 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.620 -1.265 7.565 1.00 0.00 H new ATOM 807 N LEU A 52 13.280 -5.874 5.043 1.00 0.00 N ATOM 808 CA LEU A 52 14.017 -6.209 3.829 1.00 0.00 C ATOM 809 C LEU A 52 13.763 -5.176 2.735 1.00 0.00 C ATOM 810 O LEU A 52 14.689 -4.736 2.056 1.00 0.00 O ATOM 811 CB LEU A 52 13.620 -7.601 3.335 1.00 0.00 C ATOM 812 CG LEU A 52 13.954 -8.765 4.268 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.239 -10.030 3.821 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.458 -8.991 4.321 1.00 0.00 C ATOM 0 H LEU A 52 12.350 -6.288 5.099 1.00 0.00 H new ATOM 0 HA LEU A 52 15.081 -6.205 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.546 -7.606 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.109 -7.778 2.377 1.00 0.00 H new ATOM 0 HG LEU A 52 13.609 -8.512 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.489 -10.848 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.162 -9.864 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.553 -10.287 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.678 -9.823 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.827 -9.222 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.949 -8.090 4.690 1.00 0.00 H new ATOM 826 N GLY A 53 12.500 -4.793 2.573 1.00 0.00 N ATOM 827 CA GLY A 53 12.146 -3.814 1.562 1.00 0.00 C ATOM 828 C GLY A 53 10.805 -3.161 1.831 1.00 0.00 C ATOM 829 O GLY A 53 9.926 -3.764 2.448 1.00 0.00 O ATOM 0 H GLY A 53 11.716 -5.143 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.918 -3.046 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.122 -4.297 0.585 1.00 0.00 H new ATOM 833 N SER A 54 10.647 -1.924 1.370 1.00 0.00 N ATOM 834 CA SER A 54 9.406 -1.187 1.570 1.00 0.00 C ATOM 835 C SER A 54 8.734 -0.882 0.234 1.00 0.00 C ATOM 836 O SER A 54 9.394 -0.499 -0.732 1.00 0.00 O ATOM 837 CB SER A 54 9.677 0.116 2.325 1.00 0.00 C ATOM 838 OG SER A 54 10.328 1.061 1.495 1.00 0.00 O ATOM 0 H SER A 54 11.363 -1.412 0.856 1.00 0.00 H new ATOM 0 HA SER A 54 8.735 -1.809 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.737 0.532 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.293 -0.089 3.201 1.00 0.00 H new ATOM 0 HG SER A 54 10.488 1.885 2.001 1.00 0.00 H new ATOM 844 N ILE A 55 7.417 -1.057 0.188 1.00 0.00 N ATOM 845 CA ILE A 55 6.655 -0.800 -1.028 1.00 0.00 C ATOM 846 C ILE A 55 5.699 0.373 -0.840 1.00 0.00 C ATOM 847 O ILE A 55 4.693 0.279 -0.137 1.00 0.00 O ATOM 848 CB ILE A 55 5.850 -2.040 -1.460 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.781 -3.240 -1.646 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.084 -1.753 -2.742 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.106 -4.571 -1.405 1.00 0.00 C ATOM 0 H ILE A 55 6.856 -1.375 0.978 1.00 0.00 H new ATOM 0 HA ILE A 55 7.377 -0.556 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 55 5.131 -2.280 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.183 -3.224 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.627 -3.142 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.520 -2.639 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.397 -0.923 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.785 -1.491 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.825 -5.376 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.728 -4.607 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.277 -4.690 -2.103 1.00 0.00 H new ATOM 863 N PRO A 56 6.018 1.505 -1.484 1.00 0.00 N ATOM 864 CA PRO A 56 5.199 2.719 -1.406 1.00 0.00 C ATOM 865 C PRO A 56 3.866 2.566 -2.131 1.00 0.00 C ATOM 866 O PRO A 56 3.786 2.740 -3.348 1.00 0.00 O ATOM 867 CB PRO A 56 6.064 3.776 -2.095 1.00 0.00 C ATOM 868 CG PRO A 56 6.942 3.004 -3.019 1.00 0.00 C ATOM 869 CD PRO A 56 7.203 1.688 -2.340 1.00 0.00 C ATOM 0 HA PRO A 56 4.937 2.968 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.452 4.495 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.651 4.341 -1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.458 2.856 -3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.874 3.537 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.307 0.877 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.122 1.713 -1.754 1.00 0.00 H new ATOM 877 N LEU A 57 2.822 2.240 -1.377 1.00 0.00 N ATOM 878 CA LEU A 57 1.491 2.064 -1.948 1.00 0.00 C ATOM 879 C LEU A 57 0.767 3.402 -2.064 1.00 0.00 C ATOM 880 O LEU A 57 -0.374 3.542 -1.623 1.00 0.00 O ATOM 881 CB LEU A 57 0.670 1.099 -1.091 1.00 0.00 C ATOM 882 CG LEU A 57 1.028 -0.382 -1.217 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.314 -1.196 -0.149 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.680 -0.898 -2.605 1.00 0.00 C ATOM 0 H LEU A 57 2.871 2.092 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 57 1.604 1.645 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.778 1.391 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.382 1.221 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 57 2.103 -0.491 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.581 -2.248 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.613 -0.843 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.764 -1.082 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.942 -1.954 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.389 -0.776 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.238 -0.334 -3.353 1.00 0.00 H new ATOM 896 N LEU A 58 1.437 4.381 -2.661 1.00 0.00 N ATOM 897 CA LEU A 58 0.857 5.708 -2.838 1.00 0.00 C ATOM 898 C LEU A 58 -0.297 5.670 -3.834 1.00 0.00 C ATOM 899 O LEU A 58 -1.434 5.994 -3.494 1.00 0.00 O ATOM 900 CB LEU A 58 1.925 6.694 -3.315 1.00 0.00 C ATOM 901 CG LEU A 58 1.411 7.964 -3.993 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.326 8.617 -3.150 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.555 8.937 -4.239 1.00 0.00 C ATOM 0 H LEU A 58 2.382 4.281 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 58 0.470 6.039 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.532 6.984 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.584 6.176 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 58 0.979 7.690 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.028 9.520 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.505 7.922 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.732 8.878 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.171 9.835 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.015 9.205 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.299 8.468 -4.883 1.00 0.00 H new ATOM 915 N SER A 59 0.004 5.268 -5.065 1.00 0.00 N ATOM 916 CA SER A 59 -1.009 5.189 -6.112 1.00 0.00 C ATOM 917 C SER A 59 -0.927 3.854 -6.846 1.00 0.00 C ATOM 918 O SER A 59 -1.022 3.800 -8.072 1.00 0.00 O ATOM 919 CB SER A 59 -0.839 6.341 -7.104 1.00 0.00 C ATOM 920 OG SER A 59 -1.073 7.591 -6.478 1.00 0.00 O ATOM 0 H SER A 59 0.940 4.992 -5.362 1.00 0.00 H new ATOM 0 HA SER A 59 -1.989 5.266 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.168 6.322 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.530 6.213 -7.937 1.00 0.00 H new ATOM 0 HG SER A 59 -0.957 8.311 -7.132 1.00 0.00 H new ATOM 926 N PHE A 60 -0.749 2.778 -6.087 1.00 0.00 N ATOM 927 CA PHE A 60 -0.653 1.442 -6.664 1.00 0.00 C ATOM 928 C PHE A 60 -1.992 1.006 -7.251 1.00 0.00 C ATOM 929 O PHE A 60 -3.051 1.323 -6.710 1.00 0.00 O ATOM 930 CB PHE A 60 -0.196 0.437 -5.604 1.00 0.00 C ATOM 931 CG PHE A 60 1.294 0.252 -5.557 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.140 1.347 -5.491 1.00 0.00 C ATOM 933 CD2 PHE A 60 1.848 -1.018 -5.577 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.511 1.179 -5.448 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.219 -1.192 -5.534 1.00 0.00 C ATOM 936 CZ PHE A 60 4.051 -0.092 -5.468 1.00 0.00 C ATOM 0 H PHE A 60 -0.668 2.805 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 60 0.083 1.472 -7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.544 0.769 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.668 -0.526 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.723 2.343 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.202 -1.882 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.160 2.041 -5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.639 -2.187 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.122 -0.225 -5.432 1.00 0.00 H new ATOM 946 N ARG A 61 -1.935 0.277 -8.361 1.00 0.00 N ATOM 947 CA ARG A 61 -3.142 -0.201 -9.023 1.00 0.00 C ATOM 948 C ARG A 61 -3.630 -1.501 -8.391 1.00 0.00 C ATOM 949 O ARG A 61 -4.313 -2.299 -9.034 1.00 0.00 O ATOM 950 CB ARG A 61 -2.881 -0.414 -10.516 1.00 0.00 C ATOM 951 CG ARG A 61 -2.115 -1.690 -10.824 1.00 0.00 C ATOM 952 CD ARG A 61 -1.856 -1.837 -12.315 1.00 0.00 C ATOM 953 NE ARG A 61 -3.096 -1.933 -13.080 1.00 0.00 N ATOM 954 CZ ARG A 61 -3.767 -0.877 -13.528 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.318 0.347 -13.289 1.00 0.00 N ATOM 956 NH2 ARG A 61 -4.888 -1.045 -14.217 1.00 0.00 N ATOM 0 H ARG A 61 -1.066 0.005 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.917 0.556 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.835 -0.436 -11.043 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.322 0.438 -10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.166 -1.685 -10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.680 -2.550 -10.465 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.278 -0.983 -12.668 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.251 -2.727 -12.492 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.468 -2.861 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.456 0.480 -12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.835 1.156 -13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.236 -1.986 -14.403 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.402 -0.234 -14.560 1.00 0.00 H new ATOM 970 N VAL A 62 -3.274 -1.709 -7.127 1.00 0.00 N ATOM 971 CA VAL A 62 -3.676 -2.912 -6.408 1.00 0.00 C ATOM 972 C VAL A 62 -5.031 -3.416 -6.892 1.00 0.00 C ATOM 973 O VAL A 62 -6.054 -2.759 -6.700 1.00 0.00 O ATOM 974 CB VAL A 62 -3.747 -2.660 -4.890 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.997 -3.962 -4.144 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.471 -1.992 -4.400 1.00 0.00 C ATOM 0 H VAL A 62 -2.708 -1.060 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.918 -3.669 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.581 -1.988 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.044 -3.764 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.941 -4.395 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.185 -4.660 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.539 -1.822 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.618 -2.637 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.340 -1.038 -4.911 1.00 0.00 H new ATOM 986 N ALA A 63 -5.030 -4.586 -7.522 1.00 0.00 N ATOM 987 CA ALA A 63 -6.259 -5.180 -8.033 1.00 0.00 C ATOM 988 C ALA A 63 -5.997 -6.559 -8.628 1.00 0.00 C ATOM 989 O ALA A 63 -4.892 -6.847 -9.088 1.00 0.00 O ATOM 990 CB ALA A 63 -6.895 -4.267 -9.071 1.00 0.00 C ATOM 0 H ALA A 63 -4.191 -5.141 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.950 -5.299 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.812 -4.723 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.128 -3.305 -8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.201 -4.118 -9.898 1.00 0.00 H new ATOM 996 N ALA A 64 -7.019 -7.408 -8.616 1.00 0.00 N ATOM 997 CA ALA A 64 -6.899 -8.756 -9.156 1.00 0.00 C ATOM 998 C ALA A 64 -6.073 -8.763 -10.438 1.00 0.00 C ATOM 999 O ALA A 64 -6.231 -7.892 -11.294 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.277 -9.348 -9.411 1.00 0.00 C ATOM 0 H ALA A 64 -7.940 -7.186 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.383 -9.371 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.171 -10.355 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.834 -9.388 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.814 -8.725 -10.127 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.191 -9.749 -10.563 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.340 -9.869 -11.741 1.00 0.00 C ATOM 1008 C VAL A 65 -5.172 -9.914 -13.018 1.00 0.00 C ATOM 1009 O VAL A 65 -6.323 -10.350 -13.004 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.458 -11.130 -11.671 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.451 -11.015 -10.537 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.320 -12.373 -11.506 1.00 0.00 C ATOM 0 H VAL A 65 -5.047 -10.477 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.699 -8.987 -11.759 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.906 -11.219 -12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.837 -11.915 -10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.813 -10.147 -10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.980 -10.901 -9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.681 -13.255 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.900 -12.294 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.998 -12.461 -12.355 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.581 -9.462 -14.119 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.269 -9.451 -15.405 1.00 0.00 C ATOM 1024 C GLN A 66 -5.238 -10.832 -16.050 1.00 0.00 C ATOM 1025 O GLN A 66 -4.428 -11.690 -15.699 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.629 -8.423 -16.340 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.249 -7.039 -16.237 1.00 0.00 C ATOM 1028 CD GLN A 66 -4.687 -6.070 -17.259 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -4.133 -6.480 -18.280 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -4.826 -4.778 -16.990 1.00 0.00 N ATOM 0 H GLN A 66 -3.628 -9.099 -14.147 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.309 -9.175 -15.231 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.565 -8.353 -16.116 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.716 -8.775 -17.368 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.328 -7.117 -16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.080 -6.643 -15.236 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.292 -4.483 -16.132 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.467 -4.080 -17.641 1.00 0.00 H new ATOM 1039 N PRO A 67 -6.140 -11.054 -17.017 1.00 0.00 N ATOM 1040 CA PRO A 67 -6.236 -12.330 -17.733 1.00 0.00 C ATOM 1041 C PRO A 67 -5.045 -12.569 -18.654 1.00 0.00 C ATOM 1042 O PRO A 67 -4.905 -13.644 -19.238 1.00 0.00 O ATOM 1043 CB PRO A 67 -7.523 -12.183 -18.549 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.689 -10.714 -18.732 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.136 -10.076 -17.488 1.00 0.00 C ATOM 0 HA PRO A 67 -6.242 -13.180 -17.051 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.445 -12.695 -19.508 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.375 -12.616 -18.025 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.156 -10.368 -19.618 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.739 -10.454 -18.870 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.680 -9.109 -17.701 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.914 -9.905 -16.744 1.00 0.00 H new ATOM 1053 N SER A 68 -4.188 -11.561 -18.780 1.00 0.00 N ATOM 1054 CA SER A 68 -3.010 -11.661 -19.633 1.00 0.00 C ATOM 1055 C SER A 68 -1.754 -11.236 -18.877 1.00 0.00 C ATOM 1056 O SER A 68 -0.893 -10.545 -19.422 1.00 0.00 O ATOM 1057 CB SER A 68 -3.184 -10.796 -20.883 1.00 0.00 C ATOM 1058 OG SER A 68 -4.304 -11.217 -21.642 1.00 0.00 O ATOM 0 H SER A 68 -4.288 -10.665 -18.302 1.00 0.00 H new ATOM 0 HA SER A 68 -2.897 -12.703 -19.934 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.309 -9.753 -20.593 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.284 -10.851 -21.495 1.00 0.00 H new ATOM 0 HG SER A 68 -4.395 -10.648 -22.434 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.570 -18.962 -8.569 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.844 -18.280 -8.374 1.00 0.00 C ATOM 1146 C LYS A 74 -5.750 -17.265 -7.239 1.00 0.00 C ATOM 1147 O LYS A 74 -4.695 -17.102 -6.625 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.949 -19.296 -8.072 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.437 -20.046 -9.300 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.790 -20.693 -9.057 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.918 -19.677 -9.147 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.096 -19.167 -10.534 1.00 0.00 N ATOM 0 HA LYS A 74 -6.087 -17.749 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.580 -20.015 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.792 -18.778 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.508 -19.359 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.710 -20.811 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.953 -21.484 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.799 -21.162 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.847 -20.135 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.709 -18.843 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.047 -18.759 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.383 -18.435 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.982 -19.950 -11.209 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.859 -16.585 -6.965 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.901 -15.587 -5.902 1.00 0.00 C ATOM 1168 C HIS A 75 -5.598 -14.795 -5.849 1.00 0.00 C ATOM 1169 O HIS A 75 -5.061 -14.534 -4.772 1.00 0.00 O ATOM 1170 CB HIS A 75 -7.159 -16.258 -4.553 1.00 0.00 C ATOM 1171 CG HIS A 75 -8.019 -17.481 -4.648 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -9.195 -17.521 -5.366 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.866 -18.714 -4.110 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.730 -18.725 -5.265 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.943 -19.468 -4.508 1.00 0.00 N ATOM 0 H HIS A 75 -7.740 -16.707 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.717 -14.897 -6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.204 -16.529 -4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.634 -15.540 -3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.049 -19.043 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.653 -19.047 -5.723 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.108 -20.443 -4.259 1.00 0.00 H new ATOM 1184 N THR A 76 -5.093 -14.416 -7.019 1.00 0.00 N ATOM 1185 CA THR A 76 -3.852 -13.656 -7.105 1.00 0.00 C ATOM 1186 C THR A 76 -4.118 -12.217 -7.533 1.00 0.00 C ATOM 1187 O THR A 76 -4.948 -11.961 -8.406 1.00 0.00 O ATOM 1188 CB THR A 76 -2.866 -14.301 -8.097 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.626 -15.665 -7.732 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.550 -13.539 -8.125 1.00 0.00 C ATOM 0 H THR A 76 -5.524 -14.623 -7.920 1.00 0.00 H new ATOM 0 HA THR A 76 -3.409 -13.660 -6.109 1.00 0.00 H new ATOM 0 HB THR A 76 -3.310 -14.264 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.463 -16.074 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.870 -14.013 -8.833 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.732 -12.509 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.103 -13.548 -7.131 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.407 -11.280 -6.914 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.567 -9.866 -7.231 1.00 0.00 C ATOM 1200 C PHE A 77 -2.221 -9.228 -7.563 1.00 0.00 C ATOM 1201 O PHE A 77 -1.167 -9.749 -7.198 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.218 -9.128 -6.059 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.639 -9.497 -4.723 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.819 -10.768 -4.203 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.915 -8.572 -3.988 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.288 -11.111 -2.973 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.381 -8.909 -2.759 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.568 -10.180 -2.250 1.00 0.00 C ATOM 0 H PHE A 77 -2.715 -11.475 -6.190 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.213 -9.787 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.108 -8.054 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.287 -9.341 -6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.381 -11.500 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.766 -7.577 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.436 -12.105 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.818 -8.179 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.152 -10.445 -1.289 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.265 -8.097 -8.259 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.051 -7.385 -8.641 1.00 0.00 C ATOM 1220 C LYS A 78 -1.066 -5.956 -8.107 1.00 0.00 C ATOM 1221 O LYS A 78 -2.111 -5.307 -8.076 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.901 -7.370 -10.164 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.978 -6.567 -10.873 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.507 -6.082 -12.233 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.660 -5.532 -13.059 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.302 -5.410 -14.500 1.00 0.00 N ATOM 0 H LYS A 78 -3.129 -7.653 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.201 -7.908 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.075 -6.959 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.922 -8.395 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.871 -7.181 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.260 -5.712 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.750 -5.309 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.033 -6.904 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.526 -6.186 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.950 -4.555 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.114 -5.032 -15.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.492 -4.766 -14.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.050 -6.347 -14.876 1.00 0.00 H new ATOM 1240 N ALA A 79 0.099 -5.473 -7.689 1.00 0.00 N ATOM 1241 CA ALA A 79 0.219 -4.120 -7.160 1.00 0.00 C ATOM 1242 C ALA A 79 1.393 -3.383 -7.797 1.00 0.00 C ATOM 1243 O ALA A 79 2.552 -3.715 -7.551 1.00 0.00 O ATOM 1244 CB ALA A 79 0.375 -4.156 -5.647 1.00 0.00 C ATOM 0 H ALA A 79 0.973 -5.998 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.694 -3.578 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.464 -3.139 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.497 -4.635 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.271 -4.720 -5.387 1.00 0.00 H new ATOM 1250 N GLU A 80 1.084 -2.384 -8.617 1.00 0.00 N ATOM 1251 CA GLU A 80 2.114 -1.602 -9.290 1.00 0.00 C ATOM 1252 C GLU A 80 1.780 -0.114 -9.253 1.00 0.00 C ATOM 1253 O GLU A 80 0.621 0.277 -9.396 1.00 0.00 O ATOM 1254 CB GLU A 80 2.271 -2.065 -10.741 1.00 0.00 C ATOM 1255 CG GLU A 80 1.410 -1.289 -11.723 1.00 0.00 C ATOM 1256 CD GLU A 80 1.128 -2.067 -12.994 1.00 0.00 C ATOM 1257 OE1 GLU A 80 0.825 -3.274 -12.894 1.00 0.00 O ATOM 1258 OE2 GLU A 80 1.211 -1.469 -14.087 1.00 0.00 O ATOM 0 H GLU A 80 0.129 -2.097 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 80 3.055 -1.758 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.317 -1.969 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.017 -3.123 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.466 -1.027 -11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.909 -0.354 -11.977 1.00 0.00 H new ATOM 1265 N HIS A 81 2.803 0.712 -9.058 1.00 0.00 N ATOM 1266 CA HIS A 81 2.619 2.158 -9.002 1.00 0.00 C ATOM 1267 C HIS A 81 2.361 2.727 -10.394 1.00 0.00 C ATOM 1268 O HIS A 81 2.360 1.997 -11.384 1.00 0.00 O ATOM 1269 CB HIS A 81 3.848 2.826 -8.384 1.00 0.00 C ATOM 1270 CG HIS A 81 3.596 4.225 -7.914 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.021 5.340 -8.606 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.956 4.689 -6.815 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.656 6.428 -7.952 1.00 0.00 C ATOM 1274 NE2 HIS A 81 3.007 6.060 -6.862 1.00 0.00 N ATOM 0 H HIS A 81 3.768 0.405 -8.936 1.00 0.00 H new ATOM 0 HA HIS A 81 1.750 2.365 -8.378 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.193 2.225 -7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.653 2.838 -9.119 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.492 4.092 -6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.854 7.445 -8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.608 6.692 -6.168 1.00 0.00 H new ATOM 1316 N ARG A 85 7.064 -0.075 -10.483 1.00 0.00 N ATOM 1317 CA ARG A 85 7.286 -1.497 -10.714 1.00 0.00 C ATOM 1318 C ARG A 85 6.009 -2.294 -10.465 1.00 0.00 C ATOM 1319 O ARG A 85 5.099 -1.832 -9.775 1.00 0.00 O ATOM 1320 CB ARG A 85 8.406 -2.014 -9.809 1.00 0.00 C ATOM 1321 CG ARG A 85 8.800 -3.455 -10.090 1.00 0.00 C ATOM 1322 CD ARG A 85 9.749 -3.990 -9.029 1.00 0.00 C ATOM 1323 NE ARG A 85 9.718 -5.448 -8.952 1.00 0.00 N ATOM 1324 CZ ARG A 85 10.139 -6.137 -7.897 1.00 0.00 C ATOM 1325 NH1 ARG A 85 10.621 -5.504 -6.837 1.00 0.00 N ATOM 1326 NH2 ARG A 85 10.078 -7.463 -7.902 1.00 0.00 N ATOM 0 HA ARG A 85 7.579 -1.628 -11.756 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.282 -1.377 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.090 -1.929 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.906 -4.077 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.274 -3.519 -11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.764 -3.660 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.482 -3.570 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 85 9.353 -5.966 -9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.669 -4.485 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.943 -6.036 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.708 -7.953 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.401 -7.991 -7.092 1.00 0.00 H new ATOM 1340 N THR A 86 5.946 -3.495 -11.033 1.00 0.00 N ATOM 1341 CA THR A 86 4.781 -4.355 -10.875 1.00 0.00 C ATOM 1342 C THR A 86 5.063 -5.489 -9.896 1.00 0.00 C ATOM 1343 O THR A 86 6.145 -6.076 -9.905 1.00 0.00 O ATOM 1344 CB THR A 86 4.338 -4.955 -12.223 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.394 -3.955 -13.246 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.927 -5.514 -12.130 1.00 0.00 C ATOM 0 H THR A 86 6.689 -3.893 -11.607 1.00 0.00 H new ATOM 0 HA THR A 86 3.979 -3.730 -10.482 1.00 0.00 H new ATOM 0 HB THR A 86 5.018 -5.769 -12.474 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.113 -4.345 -14.100 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.637 -5.932 -13.094 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.895 -6.296 -11.371 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.237 -4.716 -11.858 1.00 0.00 H new ATOM 1354 N TYR A 87 4.083 -5.792 -9.052 1.00 0.00 N ATOM 1355 CA TYR A 87 4.227 -6.855 -8.064 1.00 0.00 C ATOM 1356 C TYR A 87 3.068 -7.843 -8.154 1.00 0.00 C ATOM 1357 O TYR A 87 1.933 -7.462 -8.444 1.00 0.00 O ATOM 1358 CB TYR A 87 4.300 -6.264 -6.655 1.00 0.00 C ATOM 1359 CG TYR A 87 5.490 -5.357 -6.440 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.561 -4.114 -7.056 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.544 -5.743 -5.621 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.646 -3.282 -6.863 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.632 -4.917 -5.421 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.679 -3.687 -6.044 1.00 0.00 C ATOM 1365 OH TYR A 87 8.763 -2.862 -5.849 1.00 0.00 O ATOM 0 H TYR A 87 3.181 -5.317 -9.032 1.00 0.00 H new ATOM 0 HA TYR A 87 5.153 -7.389 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.386 -5.704 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.338 -7.077 -5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.753 -3.793 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.512 -6.706 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.685 -2.319 -7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.442 -5.232 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 87 9.400 -3.297 -5.244 1.00 0.00 H new ATOM 1375 N PHE A 88 3.362 -9.114 -7.903 1.00 0.00 N ATOM 1376 CA PHE A 88 2.345 -10.159 -7.956 1.00 0.00 C ATOM 1377 C PHE A 88 2.258 -10.900 -6.625 1.00 0.00 C ATOM 1378 O PHE A 88 3.241 -11.476 -6.157 1.00 0.00 O ATOM 1379 CB PHE A 88 2.656 -11.146 -9.083 1.00 0.00 C ATOM 1380 CG PHE A 88 2.394 -10.591 -10.454 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.098 -10.442 -10.920 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.445 -10.219 -11.277 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.854 -9.932 -12.181 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.208 -9.707 -12.539 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.911 -9.565 -12.992 1.00 0.00 C ATOM 0 H PHE A 88 4.296 -9.446 -7.661 1.00 0.00 H new ATOM 0 HA PHE A 88 1.383 -9.686 -8.152 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.702 -11.446 -9.015 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.057 -12.046 -8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.268 -10.728 -10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.461 -10.330 -10.928 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.161 -9.820 -12.532 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.036 -9.418 -13.170 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.723 -9.168 -13.979 1.00 0.00 H new ATOM 1395 N PHE A 89 1.075 -10.881 -6.020 1.00 0.00 N ATOM 1396 CA PHE A 89 0.859 -11.550 -4.742 1.00 0.00 C ATOM 1397 C PHE A 89 -0.230 -12.612 -4.862 1.00 0.00 C ATOM 1398 O PHE A 89 -1.282 -12.374 -5.455 1.00 0.00 O ATOM 1399 CB PHE A 89 0.477 -10.531 -3.667 1.00 0.00 C ATOM 1400 CG PHE A 89 1.486 -9.431 -3.498 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.736 -9.697 -2.963 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.185 -8.132 -3.875 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.667 -8.687 -2.806 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.111 -7.118 -3.720 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.354 -7.396 -3.186 1.00 0.00 C ATOM 0 H PHE A 89 0.251 -10.410 -6.394 1.00 0.00 H new ATOM 0 HA PHE A 89 1.790 -12.039 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.488 -10.092 -3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.352 -11.048 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.986 -10.705 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.215 -7.909 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.638 -8.907 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.863 -6.109 -4.016 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.080 -6.606 -3.066 1.00 0.00 H new ATOM 1415 N SER A 90 0.031 -13.785 -4.294 1.00 0.00 N ATOM 1416 CA SER A 90 -0.925 -14.886 -4.341 1.00 0.00 C ATOM 1417 C SER A 90 -1.487 -15.176 -2.952 1.00 0.00 C ATOM 1418 O SER A 90 -0.769 -15.115 -1.955 1.00 0.00 O ATOM 1419 CB SER A 90 -0.260 -16.143 -4.906 1.00 0.00 C ATOM 1420 OG SER A 90 -1.027 -17.299 -4.618 1.00 0.00 O ATOM 0 H SER A 90 0.896 -13.998 -3.796 1.00 0.00 H new ATOM 0 HA SER A 90 -1.747 -14.593 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.141 -16.041 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.739 -16.251 -4.483 1.00 0.00 H new ATOM 0 HG SER A 90 -0.582 -18.088 -4.991 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.777 -15.491 -2.897 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.437 -15.793 -1.633 1.00 0.00 C ATOM 1428 C ALA A 91 -3.972 -17.221 -1.619 1.00 0.00 C ATOM 1429 O ALA A 91 -4.737 -17.614 -2.499 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.563 -14.803 -1.376 1.00 0.00 C ATOM 0 H ALA A 91 -3.386 -15.544 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.699 -15.702 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.047 -15.040 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.156 -13.793 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.294 -14.865 -2.183 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.563 -17.991 -0.616 1.00 0.00 N ATOM 1437 CA GLU A 92 -4.001 -19.377 -0.491 1.00 0.00 C ATOM 1438 C GLU A 92 -5.518 -19.482 -0.627 1.00 0.00 C ATOM 1439 O GLU A 92 -6.032 -20.397 -1.270 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.558 -19.955 0.855 1.00 0.00 C ATOM 1441 CG GLU A 92 -2.059 -19.872 1.088 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.581 -20.833 2.160 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.739 -20.513 3.356 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -1.049 -21.904 1.801 1.00 0.00 O ATOM 0 H GLU A 92 -2.930 -17.680 0.121 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.540 -19.951 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.072 -19.424 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.869 -20.998 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.538 -20.086 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.795 -18.854 1.374 1.00 0.00 H new ATOM 1451 N SER A 93 -6.228 -18.538 -0.017 1.00 0.00 N ATOM 1452 CA SER A 93 -7.685 -18.527 -0.066 1.00 0.00 C ATOM 1453 C SER A 93 -8.193 -17.304 -0.823 1.00 0.00 C ATOM 1454 O SER A 93 -7.536 -16.265 -0.889 1.00 0.00 O ATOM 1455 CB SER A 93 -8.264 -18.541 1.350 1.00 0.00 C ATOM 1456 OG SER A 93 -7.880 -19.714 2.047 1.00 0.00 O ATOM 0 H SER A 93 -5.818 -17.771 0.517 1.00 0.00 H new ATOM 0 HA SER A 93 -8.013 -19.422 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.921 -17.662 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.351 -18.482 1.302 1.00 0.00 H new ATOM 0 HG SER A 93 -8.261 -19.698 2.950 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.394 -17.429 -1.409 1.00 0.00 N ATOM 1463 CA PRO A 94 -10.019 -16.344 -2.172 1.00 0.00 C ATOM 1464 C PRO A 94 -10.464 -15.190 -1.281 1.00 0.00 C ATOM 1465 O PRO A 94 -10.689 -14.078 -1.757 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.230 -17.019 -2.820 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.550 -18.166 -1.924 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.233 -18.638 -1.371 1.00 0.00 C ATOM 0 HA PRO A 94 -9.329 -15.898 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.072 -16.331 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.001 -17.358 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.223 -17.860 -1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.051 -18.963 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.338 -19.023 -0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.809 -19.441 -1.974 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.590 -15.463 0.014 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.009 -14.446 0.971 1.00 0.00 C ATOM 1478 C GLU A 95 -9.879 -13.458 1.246 1.00 0.00 C ATOM 1479 O GLU A 95 -10.104 -12.252 1.335 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.460 -15.100 2.279 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.353 -15.858 2.993 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.846 -16.577 4.234 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.679 -17.496 4.095 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.398 -16.220 5.344 1.00 0.00 O ATOM 0 H GLU A 95 -10.408 -16.379 0.424 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.847 -13.900 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.850 -14.330 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.281 -15.785 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.914 -16.583 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.562 -15.162 3.271 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.664 -13.981 1.381 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.499 -13.145 1.647 1.00 0.00 C ATOM 1493 C GLU A 96 -7.189 -12.247 0.453 1.00 0.00 C ATOM 1494 O GLU A 96 -6.866 -11.071 0.615 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.284 -14.015 1.974 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.172 -14.377 3.446 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.422 -15.675 3.672 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.177 -15.631 3.763 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -6.078 -16.733 3.759 1.00 0.00 O ATOM 0 H GLU A 96 -8.461 -14.978 1.311 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.726 -12.513 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.335 -14.931 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.379 -13.490 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.665 -13.571 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.171 -14.460 3.873 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.290 -12.812 -0.746 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.019 -12.063 -1.968 1.00 0.00 C ATOM 1508 C GLN A 97 -7.806 -10.757 -1.991 1.00 0.00 C ATOM 1509 O GLN A 97 -7.226 -9.675 -2.082 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.369 -12.905 -3.196 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.319 -12.128 -4.501 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.254 -12.692 -5.553 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.293 -13.269 -5.230 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.890 -12.528 -6.819 1.00 0.00 N ATOM 0 H GLN A 97 -7.557 -13.785 -0.897 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.955 -11.826 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.679 -13.747 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.369 -13.321 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.579 -11.087 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.299 -12.136 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.020 -12.043 -7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.480 -12.887 -7.570 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.128 -10.866 -1.910 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.993 -9.693 -1.923 1.00 0.00 C ATOM 1525 C GLU A 98 -9.692 -8.781 -0.737 1.00 0.00 C ATOM 1526 O GLU A 98 -9.476 -7.581 -0.902 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.464 -10.115 -1.896 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.944 -10.733 -3.198 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.347 -9.691 -4.224 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -12.982 -8.689 -3.833 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -12.027 -9.878 -5.416 1.00 0.00 O ATOM 0 H GLU A 98 -9.623 -11.755 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.798 -9.141 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.613 -10.831 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.079 -9.244 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.153 -11.359 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.793 -11.385 -2.995 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.680 -9.361 0.459 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.405 -8.602 1.673 1.00 0.00 C ATOM 1540 C ALA A 99 -8.189 -7.699 1.491 1.00 0.00 C ATOM 1541 O ALA A 99 -8.240 -6.507 1.796 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.193 -9.545 2.848 1.00 0.00 C ATOM 0 H ALA A 99 -9.857 -10.354 0.613 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.268 -7.969 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.989 -8.965 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.090 -10.145 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.348 -10.201 2.640 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.100 -8.273 0.995 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.871 -7.519 0.774 1.00 0.00 C ATOM 1550 C TRP A 100 -6.088 -6.414 -0.254 1.00 0.00 C ATOM 1551 O TRP A 100 -5.851 -5.239 0.025 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.752 -8.452 0.310 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.981 -9.063 1.441 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.121 -10.326 1.941 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.951 -8.435 2.213 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.240 -10.522 2.977 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.511 -9.377 3.164 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.357 -7.171 2.193 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.506 -9.092 4.084 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.360 -6.889 3.107 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.942 -7.846 4.042 1.00 0.00 C ATOM 0 H TRP A 100 -7.042 -9.258 0.738 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.582 -7.059 1.719 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.181 -9.247 -0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.066 -7.896 -0.329 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.821 -11.063 1.576 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.144 -11.381 3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.671 -6.427 1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.183 -9.828 4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.895 -5.914 3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.160 -7.595 4.743 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.540 -6.799 -1.443 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.790 -5.840 -2.512 1.00 0.00 C ATOM 1574 C ILE A 101 -7.473 -4.586 -1.977 1.00 0.00 C ATOM 1575 O ILE A 101 -7.257 -3.486 -2.484 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.662 -6.452 -3.625 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.942 -7.635 -4.275 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.008 -5.398 -4.666 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.869 -8.574 -5.014 1.00 0.00 C ATOM 0 H ILE A 101 -6.740 -7.768 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.819 -5.572 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.589 -6.815 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.192 -7.256 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.410 -8.194 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.624 -5.845 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.557 -4.585 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.091 -5.008 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.290 -9.389 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.604 -8.981 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.382 -8.030 -5.807 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.297 -4.761 -0.949 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.011 -3.643 -0.344 1.00 0.00 C ATOM 1593 C GLN A 102 -8.195 -3.022 0.785 1.00 0.00 C ATOM 1594 O GLN A 102 -8.127 -1.801 0.916 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.370 -4.105 0.187 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.194 -4.871 -0.835 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.686 -4.735 -0.602 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.244 -5.357 0.302 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.340 -3.917 -1.419 1.00 0.00 N ATOM 0 H GLN A 102 -8.487 -5.666 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.167 -2.886 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.213 -4.736 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.936 -3.235 0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.952 -4.511 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.919 -5.925 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.837 -3.421 -2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.345 -3.784 -1.310 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.578 -3.873 1.599 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.765 -3.408 2.716 1.00 0.00 C ATOM 1610 C ALA A 103 -5.670 -2.459 2.240 1.00 0.00 C ATOM 1611 O ALA A 103 -5.660 -1.281 2.594 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.158 -4.591 3.455 1.00 0.00 C ATOM 0 H ALA A 103 -7.626 -4.888 1.506 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.412 -2.860 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.553 -4.229 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.955 -5.229 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.530 -5.163 2.772 1.00 0.00 H new ATOM 1618 N MET A 104 -4.748 -2.982 1.438 1.00 0.00 N ATOM 1619 CA MET A 104 -3.648 -2.181 0.913 1.00 0.00 C ATOM 1620 C MET A 104 -4.130 -1.261 -0.204 1.00 0.00 C ATOM 1621 O MET A 104 -3.588 -0.174 -0.403 1.00 0.00 O ATOM 1622 CB MET A 104 -2.530 -3.087 0.396 1.00 0.00 C ATOM 1623 CG MET A 104 -2.782 -3.626 -1.003 1.00 0.00 C ATOM 1624 SD MET A 104 -1.334 -4.438 -1.706 1.00 0.00 S ATOM 1625 CE MET A 104 -1.047 -5.727 -0.496 1.00 0.00 C ATOM 0 H MET A 104 -4.741 -3.957 1.138 1.00 0.00 H new ATOM 0 HA MET A 104 -3.261 -1.566 1.725 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.592 -2.531 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.406 -3.925 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.611 -4.333 -0.972 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.086 -2.807 -1.654 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.202 -6.339 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.828 -5.275 0.472 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.936 -6.352 -0.412 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.153 -1.703 -0.930 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.689 -0.907 -2.018 1.00 0.00 C ATOM 1637 C GLY A 105 -6.083 0.488 -1.576 1.00 0.00 C ATOM 1638 O GLY A 105 -5.649 1.478 -2.165 1.00 0.00 O ATOM 0 H GLY A 105 -5.620 -2.598 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.946 -0.837 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.559 -1.411 -2.438 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.908 0.568 -0.537 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.361 1.854 -0.019 1.00 0.00 C ATOM 1644 C GLU A 106 -6.184 2.802 0.188 1.00 0.00 C ATOM 1645 O GLU A 106 -6.249 3.977 -0.173 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.113 1.661 1.300 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.212 1.689 2.524 1.00 0.00 C ATOM 1648 CD GLU A 106 -7.994 1.678 3.823 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.287 0.575 4.330 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.312 2.773 4.333 1.00 0.00 O ATOM 0 H GLU A 106 -7.276 -0.242 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.036 2.295 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.867 2.442 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.643 0.709 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.544 0.828 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.585 2.580 2.489 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.109 2.284 0.773 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.917 3.083 1.027 1.00 0.00 C ATOM 1659 C ALA A 107 -3.417 3.746 -0.252 1.00 0.00 C ATOM 1660 O ALA A 107 -2.789 4.803 -0.210 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.823 2.220 1.639 1.00 0.00 C ATOM 0 H ALA A 107 -5.039 1.314 1.080 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.182 3.870 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.939 2.830 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.176 1.799 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.570 1.412 0.952 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.700 3.117 -1.388 1.00 0.00 N ATOM 1668 CA ALA A 108 -3.280 3.647 -2.680 1.00 0.00 C ATOM 1669 C ALA A 108 -4.235 4.732 -3.164 1.00 0.00 C ATOM 1670 O ALA A 108 -3.809 5.748 -3.712 1.00 0.00 O ATOM 1671 CB ALA A 108 -3.187 2.526 -3.705 1.00 0.00 C ATOM 0 H ALA A 108 -4.218 2.240 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.294 4.096 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.873 2.936 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.460 1.786 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.162 2.052 -3.815 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.530 4.508 -2.960 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.545 5.467 -3.379 1.00 0.00 C ATOM 1679 C ARG A 109 -6.276 6.842 -2.776 1.00 0.00 C ATOM 1680 O ARG A 109 -5.565 6.967 -1.779 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.936 4.981 -2.967 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.590 4.067 -3.990 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.695 3.230 -3.364 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.986 3.913 -3.400 1.00 0.00 N ATOM 1685 CZ ARG A 109 -12.153 3.280 -3.353 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -12.191 1.958 -3.269 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -13.285 3.971 -3.390 1.00 0.00 N ATOM 0 H ARG A 109 -5.900 3.672 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.503 5.551 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.860 4.453 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.579 5.845 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.001 4.665 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.837 3.410 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.773 2.279 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.435 3.001 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.992 4.931 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.323 1.424 -3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.089 1.475 -3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -13.259 4.989 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.181 3.485 -3.354 1.00 0.00 H new