USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 870 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 14 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 16 SER OG : rot -179:sc= -2.58! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -170:sc= -0.459 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 50:sc= 0.244 USER MOD Single : A 41 GLN : amide:sc= 0.271 X(o=0.27,f=-0.038) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.71 K(o=-2.7,f=-4.2!) USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= -0.79 (180deg=-2.11!) USER MOD Single : A 51 THR OG1 : rot 9:sc= 0.46 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00065 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= -1.86 (180deg=-4.76!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.134) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0609) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 54:sc= 0.68 USER MOD Single : A 91 MET CE :methyl 155:sc= -2.1 (180deg=-2.98!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -2.38! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.47! C(o=-1.5!,f=-3.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= -0.82 (180deg=-0.83) USER MOD Single : A 105 GLN : amide:sc= 0.0179 K(o=0.018,f=-2.6!) USER MOD Single : A 107 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.8!) USER MOD Single : A 108 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=-0.58) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 18:sc= 1.45 USER MOD Single : A 114 TYR OH : rot -30:sc= -0.933 USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0883) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 7.916 27.419 1.137 1.00 0.00 N ATOM 110 CA GLU A 12 7.988 26.366 0.130 1.00 0.00 C ATOM 111 C GLU A 12 6.731 25.502 0.157 1.00 0.00 C ATOM 112 O GLU A 12 5.889 25.639 1.045 1.00 0.00 O ATOM 113 CB GLU A 12 9.225 25.495 0.359 1.00 0.00 C ATOM 114 CG GLU A 12 10.517 26.135 -0.119 1.00 0.00 C ATOM 115 CD GLU A 12 11.748 25.485 0.484 1.00 0.00 C ATOM 116 OE1 GLU A 12 11.737 24.250 0.666 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.721 26.212 0.776 1.00 0.00 O ATOM 0 HA GLU A 12 8.062 26.839 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.311 25.273 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.089 24.543 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.571 26.068 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.509 27.195 0.135 1.00 0.00 H new ATOM 124 N ARG A 13 6.611 24.612 -0.823 1.00 0.00 N ATOM 125 CA ARG A 13 5.457 23.726 -0.913 1.00 0.00 C ATOM 126 C ARG A 13 5.511 22.650 0.168 1.00 0.00 C ATOM 127 O ARG A 13 6.564 22.399 0.754 1.00 0.00 O ATOM 128 CB ARG A 13 5.396 23.072 -2.295 1.00 0.00 C ATOM 129 CG ARG A 13 5.217 24.066 -3.431 1.00 0.00 C ATOM 130 CD ARG A 13 5.748 23.513 -4.744 1.00 0.00 C ATOM 131 NE ARG A 13 6.021 24.570 -5.714 1.00 0.00 N ATOM 132 CZ ARG A 13 5.071 25.262 -6.333 1.00 0.00 C ATOM 133 NH1 ARG A 13 3.794 25.009 -6.086 1.00 0.00 N ATOM 134 NH2 ARG A 13 5.399 26.210 -7.203 1.00 0.00 N ATOM 0 H ARG A 13 7.299 24.486 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 13 4.559 24.325 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.312 22.505 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.572 22.359 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.160 24.311 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.736 24.994 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.662 22.949 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.023 22.815 -5.163 1.00 0.00 H new ATOM 0 HE ARG A 13 6.994 24.789 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.538 24.281 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.067 25.542 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.381 26.407 -7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.669 26.741 -7.678 1.00 0.00 H new ATOM 148 N GLN A 14 4.370 22.019 0.425 1.00 0.00 N ATOM 149 CA GLN A 14 4.288 20.972 1.437 1.00 0.00 C ATOM 150 C GLN A 14 3.456 19.796 0.936 1.00 0.00 C ATOM 151 O GLN A 14 2.256 19.929 0.692 1.00 0.00 O ATOM 152 CB GLN A 14 3.683 21.526 2.728 1.00 0.00 C ATOM 153 CG GLN A 14 4.648 22.380 3.534 1.00 0.00 C ATOM 154 CD GLN A 14 5.446 21.570 4.537 1.00 0.00 C ATOM 155 OE1 GLN A 14 6.669 21.469 4.438 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.756 20.989 5.511 1.00 0.00 N ATOM 0 H GLN A 14 3.490 22.214 -0.053 1.00 0.00 H new ATOM 0 HA GLN A 14 5.299 20.619 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.803 22.121 2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.343 20.695 3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.333 22.887 2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.090 23.154 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.743 21.100 5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.239 20.432 6.216 1.00 0.00 H new ATOM 165 N LEU A 15 4.101 18.644 0.784 1.00 0.00 N ATOM 166 CA LEU A 15 3.421 17.443 0.312 1.00 0.00 C ATOM 167 C LEU A 15 2.428 16.934 1.352 1.00 0.00 C ATOM 168 O LEU A 15 2.780 16.737 2.515 1.00 0.00 O ATOM 169 CB LEU A 15 4.440 16.351 -0.014 1.00 0.00 C ATOM 170 CG LEU A 15 3.965 14.910 0.178 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.772 14.617 -0.718 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.098 13.933 -0.102 1.00 0.00 C ATOM 0 H LEU A 15 5.094 18.517 0.981 1.00 0.00 H new ATOM 0 HA LEU A 15 2.871 17.700 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.755 16.474 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.322 16.508 0.608 1.00 0.00 H new ATOM 0 HG LEU A 15 3.653 14.786 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.448 13.587 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.955 15.294 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.056 14.759 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.742 12.913 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.441 14.058 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.924 14.127 0.583 1.00 0.00 H new ATOM 184 N SER A 16 1.187 16.722 0.925 1.00 0.00 N ATOM 185 CA SER A 16 0.143 16.238 1.820 1.00 0.00 C ATOM 186 C SER A 16 -0.340 14.855 1.393 1.00 0.00 C ATOM 187 O SER A 16 -0.713 14.629 0.241 1.00 0.00 O ATOM 188 CB SER A 16 -1.032 17.217 1.844 1.00 0.00 C ATOM 189 OG SER A 16 -0.835 18.227 2.818 1.00 0.00 O ATOM 0 H SER A 16 0.880 16.878 -0.035 1.00 0.00 H new ATOM 0 HA SER A 16 0.564 16.163 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.149 17.673 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.955 16.677 2.057 1.00 0.00 H new ATOM 0 HG SER A 16 -1.606 18.831 2.823 1.00 0.00 H new ATOM 195 N PRO A 17 -0.335 13.908 2.342 1.00 0.00 N ATOM 196 CA PRO A 17 -0.770 12.531 2.089 1.00 0.00 C ATOM 197 C PRO A 17 -2.275 12.432 1.860 1.00 0.00 C ATOM 198 O PRO A 17 -2.725 11.832 0.885 1.00 0.00 O ATOM 199 CB PRO A 17 -0.374 11.792 3.369 1.00 0.00 C ATOM 200 CG PRO A 17 -0.349 12.846 4.422 1.00 0.00 C ATOM 201 CD PRO A 17 0.096 14.107 3.735 1.00 0.00 C ATOM 0 HA PRO A 17 -0.317 12.120 1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.091 11.007 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.600 11.313 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.334 12.973 4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.335 12.578 5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.367 14.990 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.175 14.244 3.806 1.00 0.00 H new ATOM 209 N GLU A 18 -3.047 13.024 2.766 1.00 0.00 N ATOM 210 CA GLU A 18 -4.501 13.001 2.662 1.00 0.00 C ATOM 211 C GLU A 18 -4.956 13.481 1.287 1.00 0.00 C ATOM 212 O GLU A 18 -5.923 12.967 0.725 1.00 0.00 O ATOM 213 CB GLU A 18 -5.126 13.874 3.752 1.00 0.00 C ATOM 214 CG GLU A 18 -4.584 15.293 3.781 1.00 0.00 C ATOM 215 CD GLU A 18 -5.468 16.239 4.569 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.693 16.001 4.622 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.936 17.219 5.132 1.00 0.00 O ATOM 0 H GLU A 18 -2.690 13.525 3.580 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.833 11.972 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.205 13.909 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.953 13.408 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.585 15.287 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.484 15.661 2.760 1.00 0.00 H new ATOM 224 N LYS A 19 -4.251 14.471 0.749 1.00 0.00 N ATOM 225 CA LYS A 19 -4.580 15.022 -0.560 1.00 0.00 C ATOM 226 C LYS A 19 -4.279 14.015 -1.665 1.00 0.00 C ATOM 227 O LYS A 19 -4.970 13.971 -2.683 1.00 0.00 O ATOM 228 CB LYS A 19 -3.795 16.313 -0.804 1.00 0.00 C ATOM 229 CG LYS A 19 -4.364 17.518 -0.075 1.00 0.00 C ATOM 230 CD LYS A 19 -5.383 18.255 -0.926 1.00 0.00 C ATOM 231 CE LYS A 19 -6.526 17.342 -1.343 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.630 18.099 -1.996 1.00 0.00 N ATOM 0 H LYS A 19 -3.447 14.908 1.200 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.647 15.244 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.761 16.164 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.778 16.521 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.831 17.194 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.555 18.197 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.779 19.104 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.895 18.657 -1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.152 16.582 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.912 16.820 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.390 17.442 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.004 18.808 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.268 18.577 -2.846 1.00 0.00 H new ATOM 246 N SER A 20 -3.244 13.206 -1.457 1.00 0.00 N ATOM 247 CA SER A 20 -2.851 12.201 -2.437 1.00 0.00 C ATOM 248 C SER A 20 -4.017 11.272 -2.761 1.00 0.00 C ATOM 249 O SER A 20 -4.826 10.948 -1.892 1.00 0.00 O ATOM 250 CB SER A 20 -1.665 11.386 -1.916 1.00 0.00 C ATOM 251 OG SER A 20 -0.827 12.177 -1.091 1.00 0.00 O ATOM 0 H SER A 20 -2.663 13.228 -0.619 1.00 0.00 H new ATOM 0 HA SER A 20 -2.555 12.717 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.029 10.527 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.090 10.996 -2.756 1.00 0.00 H new ATOM 0 HG SER A 20 0.000 11.687 -0.900 1.00 0.00 H new ATOM 257 N GLU A 21 -4.097 10.848 -4.019 1.00 0.00 N ATOM 258 CA GLU A 21 -5.164 9.957 -4.458 1.00 0.00 C ATOM 259 C GLU A 21 -4.600 8.616 -4.916 1.00 0.00 C ATOM 260 O GLU A 21 -3.728 8.562 -5.785 1.00 0.00 O ATOM 261 CB GLU A 21 -5.962 10.602 -5.593 1.00 0.00 C ATOM 262 CG GLU A 21 -5.092 11.190 -6.691 1.00 0.00 C ATOM 263 CD GLU A 21 -4.732 12.641 -6.435 1.00 0.00 C ATOM 264 OE1 GLU A 21 -5.337 13.251 -5.528 1.00 0.00 O ATOM 265 OE2 GLU A 21 -3.846 13.166 -7.141 1.00 0.00 O ATOM 0 H GLU A 21 -3.436 11.107 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.827 9.782 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.627 9.856 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.593 11.389 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.178 10.603 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.614 11.112 -7.645 1.00 0.00 H new ATOM 272 N ILE A 22 -5.101 7.536 -4.327 1.00 0.00 N ATOM 273 CA ILE A 22 -4.648 6.195 -4.675 1.00 0.00 C ATOM 274 C ILE A 22 -5.717 5.438 -5.455 1.00 0.00 C ATOM 275 O ILE A 22 -6.834 5.249 -4.973 1.00 0.00 O ATOM 276 CB ILE A 22 -4.273 5.384 -3.420 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.293 6.173 -2.550 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.677 4.042 -3.816 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.749 5.381 -1.382 1.00 0.00 C ATOM 0 H ILE A 22 -5.822 7.563 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.762 6.314 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.177 5.201 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.461 6.511 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.792 7.065 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.417 3.480 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.405 3.478 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.781 4.204 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.061 6.003 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.572 5.066 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.221 4.502 -1.753 1.00 0.00 H new ATOM 291 N TRP A 23 -5.367 5.007 -6.661 1.00 0.00 N ATOM 292 CA TRP A 23 -6.297 4.269 -7.508 1.00 0.00 C ATOM 293 C TRP A 23 -5.663 2.980 -8.019 1.00 0.00 C ATOM 294 O TRP A 23 -4.468 2.749 -7.834 1.00 0.00 O ATOM 295 CB TRP A 23 -6.742 5.135 -8.688 1.00 0.00 C ATOM 296 CG TRP A 23 -5.630 5.461 -9.638 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.225 4.720 -10.711 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.779 6.612 -9.598 1.00 0.00 C ATOM 299 NE1 TRP A 23 -4.174 5.341 -11.342 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.882 6.504 -10.679 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.690 7.724 -8.757 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.908 7.466 -10.936 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.723 8.678 -9.014 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.843 8.544 -10.097 1.00 0.00 C ATOM 0 H TRP A 23 -4.446 5.156 -7.075 1.00 0.00 H new ATOM 0 HA TRP A 23 -7.169 4.010 -6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.534 4.618 -9.230 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -7.169 6.063 -8.308 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.666 3.783 -11.019 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.690 4.993 -12.170 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.365 7.836 -7.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.228 7.364 -11.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.644 9.541 -8.370 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.099 9.307 -10.272 1.00 0.00 H new ATOM 315 N GLY A 24 -6.470 2.142 -8.662 1.00 0.00 N ATOM 316 CA GLY A 24 -5.968 0.886 -9.189 1.00 0.00 C ATOM 317 C GLY A 24 -6.811 -0.300 -8.763 1.00 0.00 C ATOM 318 O GLY A 24 -7.786 -0.162 -8.024 1.00 0.00 O ATOM 0 H GLY A 24 -7.462 2.310 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.942 0.937 -10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.942 0.738 -8.852 1.00 0.00 H new ATOM 322 N PRO A 25 -6.436 -1.498 -9.235 1.00 0.00 N ATOM 323 CA PRO A 25 -7.151 -2.735 -8.912 1.00 0.00 C ATOM 324 C PRO A 25 -6.972 -3.145 -7.454 1.00 0.00 C ATOM 325 O PRO A 25 -7.673 -4.024 -6.956 1.00 0.00 O ATOM 326 CB PRO A 25 -6.509 -3.769 -9.840 1.00 0.00 C ATOM 327 CG PRO A 25 -5.147 -3.233 -10.119 1.00 0.00 C ATOM 328 CD PRO A 25 -5.283 -1.736 -10.120 1.00 0.00 C ATOM 0 HA PRO A 25 -8.227 -2.630 -9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.459 -4.749 -9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.084 -3.888 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.436 -3.560 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.776 -3.592 -11.079 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.382 -1.250 -9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.460 -1.349 -11.124 1.00 0.00 H new ATOM 336 N GLY A 26 -6.029 -2.500 -6.774 1.00 0.00 N ATOM 337 CA GLY A 26 -5.775 -2.811 -5.380 1.00 0.00 C ATOM 338 C GLY A 26 -7.026 -2.720 -4.529 1.00 0.00 C ATOM 339 O GLY A 26 -7.261 -3.566 -3.665 1.00 0.00 O ATOM 0 H GLY A 26 -5.436 -1.767 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.360 -3.816 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.023 -2.126 -4.989 1.00 0.00 H new ATOM 343 N LEU A 27 -7.831 -1.692 -4.771 1.00 0.00 N ATOM 344 CA LEU A 27 -9.065 -1.492 -4.019 1.00 0.00 C ATOM 345 C LEU A 27 -10.204 -2.313 -4.614 1.00 0.00 C ATOM 346 O LEU A 27 -11.349 -1.862 -4.663 1.00 0.00 O ATOM 347 CB LEU A 27 -9.443 -0.009 -4.005 1.00 0.00 C ATOM 348 CG LEU A 27 -8.416 0.939 -3.386 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.759 2.384 -3.713 1.00 0.00 C ATOM 350 CD2 LEU A 27 -8.341 0.734 -1.880 1.00 0.00 C ATOM 0 H LEU A 27 -7.652 -0.983 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.896 -1.827 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.628 0.308 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.382 0.101 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.438 0.714 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.017 3.045 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.761 2.522 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.745 2.623 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.605 1.417 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.317 0.932 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.047 -0.294 -1.667 1.00 0.00 H new ATOM 362 N LYS A 28 -9.884 -3.522 -5.063 1.00 0.00 N ATOM 363 CA LYS A 28 -10.880 -4.409 -5.651 1.00 0.00 C ATOM 364 C LYS A 28 -11.591 -5.220 -4.573 1.00 0.00 C ATOM 365 O LYS A 28 -11.006 -5.544 -3.540 1.00 0.00 O ATOM 366 CB LYS A 28 -10.221 -5.351 -6.661 1.00 0.00 C ATOM 367 CG LYS A 28 -10.133 -4.774 -8.064 1.00 0.00 C ATOM 368 CD LYS A 28 -11.476 -4.825 -8.772 1.00 0.00 C ATOM 369 CE LYS A 28 -11.625 -3.684 -9.767 1.00 0.00 C ATOM 370 NZ LYS A 28 -13.028 -3.546 -10.248 1.00 0.00 N ATOM 0 H LYS A 28 -8.941 -3.910 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.619 -3.794 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.217 -5.597 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.783 -6.284 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.786 -3.742 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.395 -5.330 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.579 -5.778 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.279 -4.775 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.308 -2.751 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.965 -3.855 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.087 -2.758 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.323 -4.427 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.655 -3.357 -9.440 1.00 0.00 H new ATOM 384 N ALA A 29 -12.856 -5.546 -4.821 1.00 0.00 N ATOM 385 CA ALA A 29 -13.645 -6.322 -3.872 1.00 0.00 C ATOM 386 C ALA A 29 -12.977 -7.659 -3.568 1.00 0.00 C ATOM 387 O ALA A 29 -12.654 -7.954 -2.417 1.00 0.00 O ATOM 388 CB ALA A 29 -15.050 -6.542 -4.411 1.00 0.00 C ATOM 0 H ALA A 29 -13.356 -5.285 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.709 -5.758 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.629 -7.123 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.533 -5.578 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.997 -7.083 -5.356 1.00 0.00 H new ATOM 394 N ASP A 30 -12.775 -8.463 -4.605 1.00 0.00 N ATOM 395 CA ASP A 30 -12.145 -9.769 -4.448 1.00 0.00 C ATOM 396 C ASP A 30 -10.711 -9.748 -4.968 1.00 0.00 C ATOM 397 O ASP A 30 -10.448 -10.126 -6.110 1.00 0.00 O ATOM 398 CB ASP A 30 -12.952 -10.840 -5.184 1.00 0.00 C ATOM 399 CG ASP A 30 -14.076 -11.403 -4.337 1.00 0.00 C ATOM 400 OD1 ASP A 30 -13.812 -12.327 -3.539 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.220 -10.920 -4.471 1.00 0.00 O ATOM 0 H ASP A 30 -13.038 -8.234 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.123 -10.008 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.368 -10.414 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.287 -11.650 -5.484 1.00 0.00 H new ATOM 406 N VAL A 31 -9.787 -9.301 -4.123 1.00 0.00 N ATOM 407 CA VAL A 31 -8.380 -9.230 -4.498 1.00 0.00 C ATOM 408 C VAL A 31 -7.959 -10.462 -5.290 1.00 0.00 C ATOM 409 O VAL A 31 -8.580 -11.521 -5.189 1.00 0.00 O ATOM 410 CB VAL A 31 -7.475 -9.097 -3.258 1.00 0.00 C ATOM 411 CG1 VAL A 31 -7.771 -7.802 -2.517 1.00 0.00 C ATOM 412 CG2 VAL A 31 -7.650 -10.298 -2.340 1.00 0.00 C ATOM 0 H VAL A 31 -9.988 -8.983 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.263 -8.344 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.437 -9.069 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.122 -7.726 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.590 -6.955 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.813 -7.796 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.004 -10.188 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.689 -10.359 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.383 -11.208 -2.877 1.00 0.00 H new ATOM 422 N VAL A 32 -6.899 -10.318 -6.080 1.00 0.00 N ATOM 423 CA VAL A 32 -6.393 -11.420 -6.890 1.00 0.00 C ATOM 424 C VAL A 32 -5.765 -12.500 -6.017 1.00 0.00 C ATOM 425 O VAL A 32 -5.131 -12.204 -5.003 1.00 0.00 O ATOM 426 CB VAL A 32 -5.351 -10.932 -7.913 1.00 0.00 C ATOM 427 CG1 VAL A 32 -5.881 -9.734 -8.686 1.00 0.00 C ATOM 428 CG2 VAL A 32 -4.042 -10.591 -7.218 1.00 0.00 C ATOM 0 H VAL A 32 -6.374 -9.449 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.246 -11.839 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.161 -11.737 -8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.131 -9.403 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.791 -10.016 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.102 -8.922 -7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.317 -10.248 -7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.214 -9.803 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.656 -11.477 -6.715 1.00 0.00 H new ATOM 438 N LEU A 33 -5.945 -13.754 -6.416 1.00 0.00 N ATOM 439 CA LEU A 33 -5.395 -14.881 -5.670 1.00 0.00 C ATOM 440 C LEU A 33 -3.888 -14.732 -5.491 1.00 0.00 C ATOM 441 O LEU A 33 -3.358 -14.820 -4.384 1.00 0.00 O ATOM 442 CB LEU A 33 -5.707 -16.195 -6.389 1.00 0.00 C ATOM 443 CG LEU A 33 -6.043 -17.387 -5.493 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.448 -17.250 -4.927 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.902 -18.691 -6.264 1.00 0.00 C ATOM 0 H LEU A 33 -6.467 -14.016 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.860 -14.894 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.546 -16.026 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.849 -16.461 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.338 -17.402 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.670 -18.108 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.515 -16.335 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.167 -17.209 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.145 -19.528 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.583 -18.686 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.877 -18.794 -6.620 1.00 0.00 H new ATOM 457 N PRO A 34 -3.179 -14.499 -6.606 1.00 0.00 N ATOM 458 CA PRO A 34 -1.723 -14.329 -6.598 1.00 0.00 C ATOM 459 C PRO A 34 -1.295 -13.024 -5.935 1.00 0.00 C ATOM 460 O PRO A 34 -1.081 -12.973 -4.725 1.00 0.00 O ATOM 461 CB PRO A 34 -1.359 -14.319 -8.085 1.00 0.00 C ATOM 462 CG PRO A 34 -2.596 -13.856 -8.774 1.00 0.00 C ATOM 463 CD PRO A 34 -3.745 -14.382 -7.961 1.00 0.00 C ATOM 0 HA PRO A 34 -1.224 -15.113 -6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.521 -13.650 -8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.063 -15.311 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.626 -12.768 -8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.637 -14.232 -9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.597 -13.703 -7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.095 -15.344 -8.335 1.00 0.00 H new ATOM 471 N ALA A 35 -1.173 -11.971 -6.737 1.00 0.00 N ATOM 472 CA ALA A 35 -0.773 -10.666 -6.227 1.00 0.00 C ATOM 473 C ALA A 35 -0.995 -9.577 -7.272 1.00 0.00 C ATOM 474 O ALA A 35 -0.808 -9.804 -8.468 1.00 0.00 O ATOM 475 CB ALA A 35 0.684 -10.693 -5.792 1.00 0.00 C ATOM 0 H ALA A 35 -1.345 -11.997 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.395 -10.436 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.969 -9.711 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.815 -11.437 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.313 -10.950 -6.644 1.00 0.00 H new ATOM 481 N ARG A 36 -1.395 -8.396 -6.813 1.00 0.00 N ATOM 482 CA ARG A 36 -1.644 -7.272 -7.709 1.00 0.00 C ATOM 483 C ARG A 36 -0.847 -6.045 -7.277 1.00 0.00 C ATOM 484 O ARG A 36 -0.571 -5.857 -6.092 1.00 0.00 O ATOM 485 CB ARG A 36 -3.136 -6.939 -7.741 1.00 0.00 C ATOM 486 CG ARG A 36 -3.573 -6.219 -9.006 1.00 0.00 C ATOM 487 CD ARG A 36 -3.765 -7.188 -10.161 1.00 0.00 C ATOM 488 NE ARG A 36 -3.521 -6.555 -11.454 1.00 0.00 N ATOM 489 CZ ARG A 36 -3.391 -7.230 -12.591 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.481 -8.553 -12.594 1.00 0.00 N ATOM 491 NH2 ARG A 36 -3.170 -6.583 -13.728 1.00 0.00 N ATOM 0 H ARG A 36 -1.554 -8.192 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.321 -7.559 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.708 -7.862 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.380 -6.319 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.505 -5.686 -8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.827 -5.472 -9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.090 -8.035 -10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.780 -7.584 -10.137 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.446 -5.538 -11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.650 -9.055 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.381 -9.069 -13.468 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.100 -5.565 -13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.070 -7.103 -14.600 1.00 0.00 H new ATOM 505 N TYR A 37 -0.479 -5.214 -8.245 1.00 0.00 N ATOM 506 CA TYR A 37 0.288 -4.006 -7.965 1.00 0.00 C ATOM 507 C TYR A 37 -0.513 -2.757 -8.318 1.00 0.00 C ATOM 508 O TYR A 37 -1.306 -2.759 -9.260 1.00 0.00 O ATOM 509 CB TYR A 37 1.603 -4.020 -8.747 1.00 0.00 C ATOM 510 CG TYR A 37 1.422 -3.865 -10.240 1.00 0.00 C ATOM 511 CD1 TYR A 37 0.864 -4.884 -11.002 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.807 -2.698 -10.889 1.00 0.00 C ATOM 513 CE1 TYR A 37 0.697 -4.746 -12.366 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.643 -2.551 -12.253 1.00 0.00 C ATOM 515 CZ TYR A 37 1.088 -3.578 -12.987 1.00 0.00 C ATOM 516 OH TYR A 37 0.922 -3.437 -14.346 1.00 0.00 O ATOM 0 H TYR A 37 -0.699 -5.355 -9.231 1.00 0.00 H new ATOM 0 HA TYR A 37 0.507 -3.985 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.242 -3.216 -8.382 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.124 -4.956 -8.548 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.556 -5.800 -10.519 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.242 -1.892 -10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.262 -5.549 -12.944 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.948 -1.637 -12.741 1.00 0.00 H new ATOM 0 HH TYR A 37 1.247 -2.556 -14.626 1.00 0.00 H new ATOM 526 N PHE A 38 -0.300 -1.690 -7.556 1.00 0.00 N ATOM 527 CA PHE A 38 -1.001 -0.433 -7.786 1.00 0.00 C ATOM 528 C PHE A 38 -0.021 0.735 -7.841 1.00 0.00 C ATOM 529 O PHE A 38 1.190 0.550 -7.713 1.00 0.00 O ATOM 530 CB PHE A 38 -2.037 -0.193 -6.685 1.00 0.00 C ATOM 531 CG PHE A 38 -1.443 -0.128 -5.307 1.00 0.00 C ATOM 532 CD1 PHE A 38 -0.958 -1.271 -4.693 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.370 1.077 -4.626 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.410 -1.215 -3.426 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.824 1.139 -3.358 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.344 -0.008 -2.757 1.00 0.00 C ATOM 0 H PHE A 38 0.353 -1.671 -6.773 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.511 -0.501 -8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.563 0.739 -6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.779 -0.991 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.009 -2.217 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.744 1.977 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.034 -2.113 -2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.773 2.084 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.082 0.038 -1.766 1.00 0.00 H new ATOM 546 N TYR A 39 -0.553 1.938 -8.032 1.00 0.00 N ATOM 547 CA TYR A 39 0.274 3.136 -8.107 1.00 0.00 C ATOM 548 C TYR A 39 -0.102 4.127 -7.010 1.00 0.00 C ATOM 549 O TYR A 39 -1.224 4.114 -6.505 1.00 0.00 O ATOM 550 CB TYR A 39 0.128 3.797 -9.479 1.00 0.00 C ATOM 551 CG TYR A 39 0.123 2.813 -10.628 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.215 1.990 -10.869 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.977 2.707 -11.471 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.215 1.091 -11.917 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.987 1.809 -12.521 1.00 0.00 C ATOM 556 CZ TYR A 39 0.111 1.004 -12.740 1.00 0.00 C ATOM 557 OH TYR A 39 0.106 0.108 -13.785 1.00 0.00 O ATOM 0 H TYR A 39 -1.553 2.109 -8.138 1.00 0.00 H new ATOM 0 HA TYR A 39 1.313 2.839 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.798 4.371 -9.500 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.945 4.504 -9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.080 2.054 -10.225 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.838 3.337 -11.303 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.074 0.460 -12.091 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.850 1.738 -13.167 1.00 0.00 H new ATOM 0 HH TYR A 39 0.377 -0.776 -13.459 1.00 0.00 H new ATOM 567 N ILE A 40 0.845 4.986 -6.648 1.00 0.00 N ATOM 568 CA ILE A 40 0.614 5.985 -5.612 1.00 0.00 C ATOM 569 C ILE A 40 1.045 7.371 -6.080 1.00 0.00 C ATOM 570 O ILE A 40 2.235 7.680 -6.123 1.00 0.00 O ATOM 571 CB ILE A 40 1.367 5.637 -4.315 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.872 4.302 -3.755 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.194 6.745 -3.288 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.916 3.558 -2.953 1.00 0.00 C ATOM 0 H ILE A 40 1.779 5.010 -7.057 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.457 5.988 -5.410 1.00 0.00 H new ATOM 0 HB ILE A 40 2.429 5.543 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.002 4.482 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.542 3.671 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.732 6.484 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.590 7.678 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.135 6.869 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.495 2.621 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.778 3.346 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.229 4.170 -2.107 1.00 0.00 H new ATOM 586 N GLN A 41 0.068 8.202 -6.428 1.00 0.00 N ATOM 587 CA GLN A 41 0.346 9.556 -6.892 1.00 0.00 C ATOM 588 C GLN A 41 0.377 10.536 -5.724 1.00 0.00 C ATOM 589 O GLN A 41 -0.502 10.518 -4.862 1.00 0.00 O ATOM 590 CB GLN A 41 -0.705 9.995 -7.913 1.00 0.00 C ATOM 591 CG GLN A 41 -0.620 11.468 -8.279 1.00 0.00 C ATOM 592 CD GLN A 41 0.509 11.765 -9.247 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.565 11.207 -10.343 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.416 12.647 -8.845 1.00 0.00 N ATOM 0 H GLN A 41 -0.923 7.962 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 41 1.326 9.555 -7.368 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.592 9.397 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.697 9.785 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.565 11.784 -8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.480 12.056 -7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.330 13.085 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.199 12.887 -9.453 1.00 0.00 H new ATOM 603 N ALA A 42 1.395 11.391 -5.701 1.00 0.00 N ATOM 604 CA ALA A 42 1.538 12.379 -4.639 1.00 0.00 C ATOM 605 C ALA A 42 0.803 13.669 -4.987 1.00 0.00 C ATOM 606 O ALA A 42 0.730 14.059 -6.152 1.00 0.00 O ATOM 607 CB ALA A 42 3.010 12.662 -4.378 1.00 0.00 C ATOM 0 H ALA A 42 2.132 11.419 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 42 1.091 11.970 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.103 13.402 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.510 11.741 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.473 13.046 -5.287 1.00 0.00 H new ATOM 613 N VAL A 43 0.258 14.327 -3.968 1.00 0.00 N ATOM 614 CA VAL A 43 -0.472 15.574 -4.166 1.00 0.00 C ATOM 615 C VAL A 43 -0.091 16.606 -3.111 1.00 0.00 C ATOM 616 O VAL A 43 0.352 16.257 -2.017 1.00 0.00 O ATOM 617 CB VAL A 43 -1.994 15.346 -4.120 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.737 16.661 -4.301 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.414 14.337 -5.178 1.00 0.00 C ATOM 0 H VAL A 43 0.308 14.017 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.198 15.949 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.253 14.941 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.811 16.480 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.459 17.349 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.474 17.098 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.493 14.188 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.142 14.710 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.909 13.388 -4.997 1.00 0.00 H new ATOM 629 N ASP A 44 -0.267 17.879 -3.448 1.00 0.00 N ATOM 630 CA ASP A 44 0.056 18.965 -2.529 1.00 0.00 C ATOM 631 C ASP A 44 -1.105 19.236 -1.578 1.00 0.00 C ATOM 632 O ASP A 44 -2.179 18.647 -1.708 1.00 0.00 O ATOM 633 CB ASP A 44 0.402 20.235 -3.308 1.00 0.00 C ATOM 634 CG ASP A 44 1.174 21.236 -2.470 1.00 0.00 C ATOM 635 OD1 ASP A 44 1.839 20.811 -1.502 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.113 22.443 -2.782 1.00 0.00 O ATOM 0 H ASP A 44 -0.631 18.184 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 44 0.921 18.663 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.991 19.970 -4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.516 20.699 -3.668 1.00 0.00 H new ATOM 641 N THR A 45 -0.883 20.131 -0.620 1.00 0.00 N ATOM 642 CA THR A 45 -1.910 20.479 0.354 1.00 0.00 C ATOM 643 C THR A 45 -3.093 21.168 -0.317 1.00 0.00 C ATOM 644 O THR A 45 -4.152 21.332 0.289 1.00 0.00 O ATOM 645 CB THR A 45 -1.351 21.401 1.454 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.323 22.756 0.992 1.00 0.00 O ATOM 647 CG2 THR A 45 0.051 20.970 1.860 1.00 0.00 C ATOM 0 H THR A 45 -0.001 20.628 -0.498 1.00 0.00 H new ATOM 0 HA THR A 45 -2.245 19.546 0.807 1.00 0.00 H new ATOM 0 HB THR A 45 -2.004 21.328 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.968 23.335 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.425 21.636 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.022 19.949 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.711 21.017 0.994 1.00 0.00 H new ATOM 655 N SER A 46 -2.907 21.567 -1.571 1.00 0.00 N ATOM 656 CA SER A 46 -3.959 22.241 -2.323 1.00 0.00 C ATOM 657 C SER A 46 -4.721 21.250 -3.197 1.00 0.00 C ATOM 658 O SER A 46 -5.936 21.354 -3.359 1.00 0.00 O ATOM 659 CB SER A 46 -3.363 23.352 -3.190 1.00 0.00 C ATOM 660 OG SER A 46 -2.648 24.286 -2.402 1.00 0.00 O ATOM 0 H SER A 46 -2.038 21.435 -2.088 1.00 0.00 H new ATOM 0 HA SER A 46 -4.657 22.681 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.698 22.918 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.160 23.862 -3.731 1.00 0.00 H new ATOM 0 HG SER A 46 -2.276 24.985 -2.980 1.00 0.00 H new ATOM 666 N GLY A 47 -3.997 20.288 -3.760 1.00 0.00 N ATOM 667 CA GLY A 47 -4.620 19.291 -4.612 1.00 0.00 C ATOM 668 C GLY A 47 -3.975 19.213 -5.981 1.00 0.00 C ATOM 669 O GLY A 47 -4.637 18.903 -6.970 1.00 0.00 O ATOM 0 H GLY A 47 -2.990 20.181 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.559 18.316 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.679 19.525 -4.725 1.00 0.00 H new ATOM 673 N ASN A 48 -2.677 19.497 -6.039 1.00 0.00 N ATOM 674 CA ASN A 48 -1.943 19.460 -7.298 1.00 0.00 C ATOM 675 C ASN A 48 -0.944 18.307 -7.311 1.00 0.00 C ATOM 676 O ASN A 48 -0.349 17.974 -6.286 1.00 0.00 O ATOM 677 CB ASN A 48 -1.212 20.785 -7.526 1.00 0.00 C ATOM 678 CG ASN A 48 -0.181 21.069 -6.450 1.00 0.00 C ATOM 679 OD1 ASN A 48 0.871 20.432 -6.400 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.480 22.029 -5.583 1.00 0.00 N ATOM 0 H ASN A 48 -2.113 19.755 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.661 19.305 -8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.721 20.763 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.938 21.597 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.175 22.265 -4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.364 22.531 -5.663 1.00 0.00 H new ATOM 687 N LYS A 49 -0.764 17.700 -8.479 1.00 0.00 N ATOM 688 CA LYS A 49 0.164 16.585 -8.628 1.00 0.00 C ATOM 689 C LYS A 49 1.607 17.055 -8.484 1.00 0.00 C ATOM 690 O LYS A 49 1.919 18.220 -8.734 1.00 0.00 O ATOM 691 CB LYS A 49 -0.031 15.911 -9.989 1.00 0.00 C ATOM 692 CG LYS A 49 -1.463 15.485 -10.257 1.00 0.00 C ATOM 693 CD LYS A 49 -1.778 15.493 -11.744 1.00 0.00 C ATOM 694 CE LYS A 49 -2.139 16.888 -12.230 1.00 0.00 C ATOM 695 NZ LYS A 49 -0.929 17.688 -12.567 1.00 0.00 N ATOM 0 H LYS A 49 -1.249 17.962 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.045 15.863 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.288 16.597 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.616 15.036 -10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.628 14.485 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.147 16.155 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.917 15.124 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.604 14.811 -11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.780 16.812 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.713 17.404 -11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.096 18.216 -13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.728 18.356 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.116 17.052 -12.694 1.00 0.00 H new ATOM 709 N PHE A 50 2.485 16.142 -8.080 1.00 0.00 N ATOM 710 CA PHE A 50 3.896 16.464 -7.903 1.00 0.00 C ATOM 711 C PHE A 50 4.690 16.140 -9.165 1.00 0.00 C ATOM 712 O PHE A 50 5.510 16.939 -9.619 1.00 0.00 O ATOM 713 CB PHE A 50 4.471 15.694 -6.713 1.00 0.00 C ATOM 714 CG PHE A 50 4.359 16.433 -5.410 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.197 17.111 -5.080 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.417 16.449 -4.515 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.091 17.792 -3.882 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.317 17.128 -3.315 1.00 0.00 C ATOM 719 CZ PHE A 50 4.153 17.801 -2.998 1.00 0.00 C ATOM 0 H PHE A 50 2.244 15.174 -7.869 1.00 0.00 H new ATOM 0 HA PHE A 50 3.978 17.533 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.954 14.738 -6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.520 15.472 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.364 17.107 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.330 15.925 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.179 18.316 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.148 17.132 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.073 18.333 -2.061 1.00 0.00 H new ATOM 729 N THR A 51 4.442 14.961 -9.726 1.00 0.00 N ATOM 730 CA THR A 51 5.135 14.529 -10.934 1.00 0.00 C ATOM 731 C THR A 51 6.643 14.696 -10.793 1.00 0.00 C ATOM 732 O THR A 51 7.355 14.854 -11.784 1.00 0.00 O ATOM 733 CB THR A 51 4.655 15.316 -12.168 1.00 0.00 C ATOM 734 OG1 THR A 51 4.959 16.707 -12.011 1.00 0.00 O ATOM 735 CG2 THR A 51 3.159 15.139 -12.375 1.00 0.00 C ATOM 0 H THR A 51 3.767 14.288 -9.364 1.00 0.00 H new ATOM 0 HA THR A 51 4.902 13.473 -11.072 1.00 0.00 H new ATOM 0 HB THR A 51 5.175 14.927 -13.044 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.525 16.831 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.844 15.704 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.935 14.083 -12.524 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.625 15.503 -11.497 1.00 0.00 H new ATOM 743 N SER A 52 7.125 14.660 -9.554 1.00 0.00 N ATOM 744 CA SER A 52 8.549 14.811 -9.284 1.00 0.00 C ATOM 745 C SER A 52 9.065 13.657 -8.429 1.00 0.00 C ATOM 746 O SER A 52 8.299 12.787 -8.014 1.00 0.00 O ATOM 747 CB SER A 52 8.818 16.142 -8.579 1.00 0.00 C ATOM 748 OG SER A 52 10.154 16.568 -8.786 1.00 0.00 O ATOM 0 H SER A 52 6.550 14.528 -8.722 1.00 0.00 H new ATOM 0 HA SER A 52 9.077 14.799 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.129 16.900 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.628 16.036 -7.511 1.00 0.00 H new ATOM 0 HG SER A 52 10.300 17.421 -8.327 1.00 0.00 H new ATOM 754 N SER A 53 10.369 13.658 -8.169 1.00 0.00 N ATOM 755 CA SER A 53 10.989 12.610 -7.367 1.00 0.00 C ATOM 756 C SER A 53 11.142 13.055 -5.916 1.00 0.00 C ATOM 757 O SER A 53 11.994 13.877 -5.579 1.00 0.00 O ATOM 758 CB SER A 53 12.356 12.238 -7.945 1.00 0.00 C ATOM 759 OG SER A 53 13.069 11.389 -7.062 1.00 0.00 O ATOM 0 H SER A 53 11.016 14.373 -8.502 1.00 0.00 H new ATOM 0 HA SER A 53 10.340 11.734 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.225 11.741 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.934 13.143 -8.131 1.00 0.00 H new ATOM 0 HG SER A 53 13.938 11.164 -7.455 1.00 0.00 H new ATOM 765 N PRO A 54 10.296 12.500 -5.035 1.00 0.00 N ATOM 766 CA PRO A 54 10.317 12.823 -3.606 1.00 0.00 C ATOM 767 C PRO A 54 11.557 12.279 -2.906 1.00 0.00 C ATOM 768 O PRO A 54 12.240 13.002 -2.181 1.00 0.00 O ATOM 769 CB PRO A 54 9.057 12.139 -3.069 1.00 0.00 C ATOM 770 CG PRO A 54 8.797 11.023 -4.021 1.00 0.00 C ATOM 771 CD PRO A 54 9.255 11.512 -5.368 1.00 0.00 C ATOM 0 HA PRO A 54 10.342 13.899 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.210 11.768 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.216 12.831 -3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.340 10.125 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.738 10.764 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.652 10.700 -5.977 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.438 11.963 -5.931 1.00 0.00 H new ATOM 779 N GLY A 55 11.844 11.000 -3.129 1.00 0.00 N ATOM 780 CA GLY A 55 13.003 10.381 -2.512 1.00 0.00 C ATOM 781 C GLY A 55 13.010 8.874 -2.673 1.00 0.00 C ATOM 782 O GLY A 55 11.960 8.257 -2.844 1.00 0.00 O ATOM 0 H GLY A 55 11.295 10.382 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.910 10.795 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.022 10.630 -1.451 1.00 0.00 H new ATOM 786 N GLU A 56 14.199 8.281 -2.620 1.00 0.00 N ATOM 787 CA GLU A 56 14.337 6.836 -2.764 1.00 0.00 C ATOM 788 C GLU A 56 13.189 6.108 -2.071 1.00 0.00 C ATOM 789 O GLU A 56 12.500 5.290 -2.681 1.00 0.00 O ATOM 790 CB GLU A 56 15.675 6.370 -2.185 1.00 0.00 C ATOM 791 CG GLU A 56 15.996 4.916 -2.491 1.00 0.00 C ATOM 792 CD GLU A 56 17.482 4.620 -2.419 1.00 0.00 C ATOM 793 OE1 GLU A 56 18.270 5.398 -2.997 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.856 3.611 -1.785 1.00 0.00 O ATOM 0 H GLU A 56 15.079 8.778 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 56 14.306 6.597 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.472 7.000 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.663 6.511 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.467 4.275 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.627 4.668 -3.486 1.00 0.00 H new ATOM 801 N LYS A 57 12.990 6.411 -0.793 1.00 0.00 N ATOM 802 CA LYS A 57 11.926 5.787 -0.015 1.00 0.00 C ATOM 803 C LYS A 57 11.176 6.826 0.812 1.00 0.00 C ATOM 804 O LYS A 57 11.681 7.311 1.824 1.00 0.00 O ATOM 805 CB LYS A 57 12.503 4.708 0.904 1.00 0.00 C ATOM 806 CG LYS A 57 13.173 3.568 0.157 1.00 0.00 C ATOM 807 CD LYS A 57 12.186 2.460 -0.172 1.00 0.00 C ATOM 808 CE LYS A 57 11.898 1.592 1.042 1.00 0.00 C ATOM 809 NZ LYS A 57 11.314 0.277 0.658 1.00 0.00 N ATOM 0 H LYS A 57 13.552 7.085 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 57 11.224 5.326 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.228 5.166 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.702 4.304 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.617 3.946 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.986 3.165 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.256 2.896 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.586 1.842 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.820 1.431 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.210 2.114 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.616 -0.449 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.276 0.344 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.641 0.017 -0.294 1.00 0.00 H new ATOM 823 N VAL A 58 9.966 7.162 0.375 1.00 0.00 N ATOM 824 CA VAL A 58 9.145 8.142 1.077 1.00 0.00 C ATOM 825 C VAL A 58 7.761 7.581 1.381 1.00 0.00 C ATOM 826 O VAL A 58 7.146 7.930 2.389 1.00 0.00 O ATOM 827 CB VAL A 58 8.994 9.437 0.257 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.316 10.186 0.192 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.478 9.127 -1.139 1.00 0.00 C ATOM 0 H VAL A 58 9.533 6.770 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 58 9.655 8.371 2.013 1.00 0.00 H new ATOM 0 HB VAL A 58 8.266 10.078 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.189 11.098 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.639 10.443 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.069 9.555 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.378 10.054 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.180 8.466 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.506 8.638 -1.068 1.00 0.00 H new ATOM 839 N PHE A 59 7.275 6.709 0.504 1.00 0.00 N ATOM 840 CA PHE A 59 5.962 6.100 0.678 1.00 0.00 C ATOM 841 C PHE A 59 6.091 4.613 0.996 1.00 0.00 C ATOM 842 O PHE A 59 6.832 3.889 0.333 1.00 0.00 O ATOM 843 CB PHE A 59 5.116 6.292 -0.582 1.00 0.00 C ATOM 844 CG PHE A 59 4.423 7.624 -0.641 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.525 7.997 0.345 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.671 8.502 -1.684 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.886 9.222 0.294 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.035 9.728 -1.740 1.00 0.00 C ATOM 849 CZ PHE A 59 3.141 10.088 -0.751 1.00 0.00 C ATOM 0 H PHE A 59 7.771 6.408 -0.335 1.00 0.00 H new ATOM 0 HA PHE A 59 5.469 6.592 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.755 6.184 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.369 5.500 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.321 7.323 1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.368 8.226 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.189 9.501 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.237 10.404 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.642 11.045 -0.795 1.00 0.00 H new ATOM 859 N GLN A 60 5.363 4.167 2.015 1.00 0.00 N ATOM 860 CA GLN A 60 5.397 2.767 2.422 1.00 0.00 C ATOM 861 C GLN A 60 4.011 2.138 2.322 1.00 0.00 C ATOM 862 O GLN A 60 2.997 2.821 2.460 1.00 0.00 O ATOM 863 CB GLN A 60 5.925 2.642 3.852 1.00 0.00 C ATOM 864 CG GLN A 60 7.437 2.508 3.933 1.00 0.00 C ATOM 865 CD GLN A 60 7.976 2.799 5.320 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.911 3.932 5.798 1.00 0.00 O ATOM 867 NE2 GLN A 60 8.511 1.775 5.974 1.00 0.00 N ATOM 0 H GLN A 60 4.743 4.754 2.573 1.00 0.00 H new ATOM 0 HA GLN A 60 6.068 2.235 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.615 3.518 4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.466 1.774 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.724 1.498 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.897 3.190 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.544 0.853 5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.889 1.910 6.912 1.00 0.00 H new ATOM 876 N VAL A 61 3.976 0.831 2.081 1.00 0.00 N ATOM 877 CA VAL A 61 2.715 0.109 1.963 1.00 0.00 C ATOM 878 C VAL A 61 2.761 -1.207 2.732 1.00 0.00 C ATOM 879 O VAL A 61 3.705 -1.986 2.596 1.00 0.00 O ATOM 880 CB VAL A 61 2.370 -0.181 0.490 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.034 -0.900 0.387 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.356 1.108 -0.317 1.00 0.00 C ATOM 0 H VAL A 61 4.807 0.251 1.964 1.00 0.00 H new ATOM 0 HA VAL A 61 1.943 0.749 2.390 1.00 0.00 H new ATOM 0 HB VAL A 61 3.139 -0.833 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.806 -1.097 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.086 -1.843 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.251 -0.276 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.111 0.885 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.609 1.787 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.338 1.578 -0.269 1.00 0.00 H new ATOM 892 N LYS A 62 1.735 -1.450 3.540 1.00 0.00 N ATOM 893 CA LYS A 62 1.656 -2.673 4.330 1.00 0.00 C ATOM 894 C LYS A 62 0.487 -3.540 3.875 1.00 0.00 C ATOM 895 O LYS A 62 -0.589 -3.033 3.559 1.00 0.00 O ATOM 896 CB LYS A 62 1.507 -2.336 5.816 1.00 0.00 C ATOM 897 CG LYS A 62 1.428 -3.559 6.712 1.00 0.00 C ATOM 898 CD LYS A 62 2.808 -4.020 7.150 1.00 0.00 C ATOM 899 CE LYS A 62 2.729 -5.256 8.033 1.00 0.00 C ATOM 900 NZ LYS A 62 4.060 -5.900 8.205 1.00 0.00 N ATOM 0 H LYS A 62 0.946 -0.816 3.665 1.00 0.00 H new ATOM 0 HA LYS A 62 2.580 -3.232 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.352 -1.722 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.608 -1.735 5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.825 -3.329 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.925 -4.368 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.416 -4.237 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.306 -3.216 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.330 -4.980 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.033 -5.972 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.007 -6.608 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.338 -6.365 7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.766 -5.178 8.453 1.00 0.00 H new ATOM 914 N VAL A 63 0.705 -4.851 3.846 1.00 0.00 N ATOM 915 CA VAL A 63 -0.332 -5.789 3.432 1.00 0.00 C ATOM 916 C VAL A 63 -0.557 -6.862 4.491 1.00 0.00 C ATOM 917 O VAL A 63 0.383 -7.529 4.923 1.00 0.00 O ATOM 918 CB VAL A 63 0.027 -6.469 2.097 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.073 -7.432 1.675 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.275 -5.426 1.018 1.00 0.00 C ATOM 0 H VAL A 63 1.590 -5.287 4.104 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.248 -5.212 3.303 1.00 0.00 H new ATOM 0 HB VAL A 63 0.944 -7.041 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.802 -7.903 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.198 -8.199 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.008 -6.885 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.527 -5.924 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.624 -4.826 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.100 -4.780 1.319 1.00 0.00 H new ATOM 930 N SER A 64 -1.810 -7.023 4.905 1.00 0.00 N ATOM 931 CA SER A 64 -2.159 -8.013 5.918 1.00 0.00 C ATOM 932 C SER A 64 -3.603 -8.476 5.750 1.00 0.00 C ATOM 933 O SER A 64 -4.422 -7.784 5.145 1.00 0.00 O ATOM 934 CB SER A 64 -1.957 -7.434 7.319 1.00 0.00 C ATOM 935 OG SER A 64 -1.969 -8.456 8.300 1.00 0.00 O ATOM 0 H SER A 64 -2.600 -6.481 4.555 1.00 0.00 H new ATOM 0 HA SER A 64 -1.502 -8.874 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.009 -6.897 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.743 -6.710 7.534 1.00 0.00 H new ATOM 0 HG SER A 64 -1.836 -8.060 9.187 1.00 0.00 H new ATOM 941 N ALA A 65 -3.908 -9.651 6.290 1.00 0.00 N ATOM 942 CA ALA A 65 -5.253 -10.206 6.202 1.00 0.00 C ATOM 943 C ALA A 65 -6.135 -9.690 7.334 1.00 0.00 C ATOM 944 O ALA A 65 -5.711 -9.587 8.485 1.00 0.00 O ATOM 945 CB ALA A 65 -5.198 -11.727 6.224 1.00 0.00 C ATOM 0 H ALA A 65 -3.242 -10.237 6.793 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.692 -9.883 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.209 -12.129 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.610 -12.082 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.735 -12.061 7.153 1.00 0.00 H new ATOM 951 N PRO A 66 -7.391 -9.357 7.001 1.00 0.00 N ATOM 952 CA PRO A 66 -8.358 -8.845 7.976 1.00 0.00 C ATOM 953 C PRO A 66 -8.801 -9.914 8.969 1.00 0.00 C ATOM 954 O PRO A 66 -8.765 -9.701 10.181 1.00 0.00 O ATOM 955 CB PRO A 66 -9.538 -8.402 7.107 1.00 0.00 C ATOM 956 CG PRO A 66 -9.433 -9.233 5.874 1.00 0.00 C ATOM 957 CD PRO A 66 -7.963 -9.454 5.648 1.00 0.00 C ATOM 0 HA PRO A 66 -7.937 -8.046 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.488 -8.566 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.481 -7.339 6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.956 -10.181 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.887 -8.727 5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.768 -10.427 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.542 -8.703 4.979 1.00 0.00 H new ATOM 965 N GLU A 67 -9.217 -11.064 8.448 1.00 0.00 N ATOM 966 CA GLU A 67 -9.667 -12.166 9.291 1.00 0.00 C ATOM 967 C GLU A 67 -8.535 -13.160 9.535 1.00 0.00 C ATOM 968 O GLU A 67 -8.433 -13.746 10.613 1.00 0.00 O ATOM 969 CB GLU A 67 -10.856 -12.879 8.644 1.00 0.00 C ATOM 970 CG GLU A 67 -10.463 -13.823 7.521 1.00 0.00 C ATOM 971 CD GLU A 67 -10.199 -13.098 6.215 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.106 -12.381 5.742 1.00 0.00 O ATOM 973 OE2 GLU A 67 -9.087 -13.247 5.667 1.00 0.00 O ATOM 0 H GLU A 67 -9.252 -11.257 7.447 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.979 -11.753 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.392 -13.441 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.548 -12.132 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.570 -14.376 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.257 -14.555 7.372 1.00 0.00 H new ATOM 980 N GLU A 68 -7.690 -13.345 8.527 1.00 0.00 N ATOM 981 CA GLU A 68 -6.567 -14.270 8.632 1.00 0.00 C ATOM 982 C GLU A 68 -5.391 -13.618 9.353 1.00 0.00 C ATOM 983 O GLU A 68 -4.974 -12.512 9.007 1.00 0.00 O ATOM 984 CB GLU A 68 -6.131 -14.739 7.242 1.00 0.00 C ATOM 985 CG GLU A 68 -5.493 -16.117 7.237 1.00 0.00 C ATOM 986 CD GLU A 68 -6.513 -17.232 7.114 1.00 0.00 C ATOM 987 OE1 GLU A 68 -6.958 -17.508 5.981 1.00 0.00 O ATOM 988 OE2 GLU A 68 -6.867 -17.829 8.153 1.00 0.00 O ATOM 0 H GLU A 68 -7.761 -12.867 7.629 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.894 -15.133 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.998 -14.747 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.424 -14.019 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.787 -16.183 6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.922 -16.252 8.155 1.00 0.00 H new ATOM 995 N GLN A 69 -4.861 -14.310 10.356 1.00 0.00 N ATOM 996 CA GLN A 69 -3.734 -13.798 11.126 1.00 0.00 C ATOM 997 C GLN A 69 -2.666 -13.216 10.207 1.00 0.00 C ATOM 998 O GLN A 69 -2.685 -13.440 8.996 1.00 0.00 O ATOM 999 CB GLN A 69 -3.132 -14.908 11.989 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.395 -14.394 13.215 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.075 -15.494 14.208 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -2.837 -16.449 14.360 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -0.944 -15.365 14.891 1.00 0.00 N ATOM 0 H GLN A 69 -5.194 -15.227 10.654 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.101 -13.003 11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.928 -15.580 12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.444 -15.496 11.382 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.469 -13.912 12.902 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.001 -13.632 13.705 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.342 -14.557 14.733 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.677 -16.074 15.574 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.734 -12.468 10.789 1.00 0.00 N ATOM 1013 CA PHE A 70 -0.658 -11.853 10.021 1.00 0.00 C ATOM 1014 C PHE A 70 -0.068 -12.843 9.021 1.00 0.00 C ATOM 1015 O PHE A 70 0.023 -14.040 9.295 1.00 0.00 O ATOM 1016 CB PHE A 70 0.439 -11.343 10.958 1.00 0.00 C ATOM 1017 CG PHE A 70 1.648 -10.820 10.237 1.00 0.00 C ATOM 1018 CD1 PHE A 70 1.642 -9.554 9.674 1.00 0.00 C ATOM 1019 CD2 PHE A 70 2.792 -11.594 10.124 1.00 0.00 C ATOM 1020 CE1 PHE A 70 2.753 -9.071 9.009 1.00 0.00 C ATOM 1021 CE2 PHE A 70 3.907 -11.116 9.461 1.00 0.00 C ATOM 1022 CZ PHE A 70 3.887 -9.852 8.904 1.00 0.00 C ATOM 0 H PHE A 70 -1.702 -12.273 11.790 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.075 -11.011 9.469 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.030 -10.552 11.586 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.744 -12.152 11.622 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.759 -8.938 9.756 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.813 -12.582 10.559 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.734 -8.084 8.572 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.792 -11.730 9.379 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.757 -9.475 8.387 1.00 0.00 H new ATOM 1032 N THR A 71 0.330 -12.334 7.859 1.00 0.00 N ATOM 1033 CA THR A 71 0.909 -13.173 6.817 1.00 0.00 C ATOM 1034 C THR A 71 2.304 -12.690 6.435 1.00 0.00 C ATOM 1035 O THR A 71 2.720 -11.597 6.819 1.00 0.00 O ATOM 1036 CB THR A 71 0.023 -13.195 5.557 1.00 0.00 C ATOM 1037 OG1 THR A 71 0.511 -14.173 4.632 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.003 -11.828 4.890 1.00 0.00 C ATOM 0 H THR A 71 0.262 -11.346 7.616 1.00 0.00 H new ATOM 0 HA THR A 71 0.975 -14.182 7.223 1.00 0.00 H new ATOM 0 HB THR A 71 -0.992 -13.455 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.059 -14.182 3.835 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.635 -11.868 4.003 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.402 -11.091 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.009 -11.544 4.602 1.00 0.00 H new ATOM 1046 N ARG A 72 3.022 -13.512 5.676 1.00 0.00 N ATOM 1047 CA ARG A 72 4.371 -13.168 5.243 1.00 0.00 C ATOM 1048 C ARG A 72 4.374 -12.711 3.787 1.00 0.00 C ATOM 1049 O ARG A 72 4.292 -13.527 2.869 1.00 0.00 O ATOM 1050 CB ARG A 72 5.305 -14.367 5.414 1.00 0.00 C ATOM 1051 CG ARG A 72 5.482 -14.800 6.860 1.00 0.00 C ATOM 1052 CD ARG A 72 6.469 -15.951 6.981 1.00 0.00 C ATOM 1053 NE ARG A 72 7.846 -15.480 7.110 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.286 -14.769 8.142 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.462 -14.450 9.130 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.553 -14.377 8.187 1.00 0.00 N ATOM 0 H ARG A 72 2.692 -14.420 5.349 1.00 0.00 H new ATOM 0 HA ARG A 72 4.727 -12.347 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.915 -15.206 4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.281 -14.119 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.832 -13.955 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.518 -15.101 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.211 -16.560 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.386 -16.593 6.104 1.00 0.00 H new ATOM 0 HE ARG A 72 8.506 -15.710 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.488 -14.751 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.802 -13.904 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.190 -14.622 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.890 -13.831 8.980 1.00 0.00 H new ATOM 1070 N VAL A 73 4.470 -11.401 3.584 1.00 0.00 N ATOM 1071 CA VAL A 73 4.485 -10.835 2.240 1.00 0.00 C ATOM 1072 C VAL A 73 5.754 -10.025 1.999 1.00 0.00 C ATOM 1073 O VAL A 73 6.108 -9.156 2.794 1.00 0.00 O ATOM 1074 CB VAL A 73 3.260 -9.933 1.998 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.282 -9.369 0.585 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.973 -10.703 2.252 1.00 0.00 C ATOM 0 H VAL A 73 4.539 -10.712 4.333 1.00 0.00 H new ATOM 0 HA VAL A 73 4.454 -11.673 1.543 1.00 0.00 H new ATOM 0 HB VAL A 73 3.302 -9.098 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.409 -8.734 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.188 -8.780 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.265 -10.188 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.118 -10.050 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.921 -11.558 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.956 -11.053 3.284 1.00 0.00 H new ATOM 1086 N GLY A 74 6.435 -10.317 0.895 1.00 0.00 N ATOM 1087 CA GLY A 74 7.657 -9.607 0.568 1.00 0.00 C ATOM 1088 C GLY A 74 7.406 -8.387 -0.296 1.00 0.00 C ATOM 1089 O GLY A 74 7.689 -8.396 -1.494 1.00 0.00 O ATOM 0 H GLY A 74 6.162 -11.033 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.153 -9.300 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.338 -10.282 0.049 1.00 0.00 H new ATOM 1093 N VAL A 75 6.871 -7.333 0.312 1.00 0.00 N ATOM 1094 CA VAL A 75 6.580 -6.100 -0.409 1.00 0.00 C ATOM 1095 C VAL A 75 7.863 -5.357 -0.767 1.00 0.00 C ATOM 1096 O VAL A 75 8.727 -5.147 0.084 1.00 0.00 O ATOM 1097 CB VAL A 75 5.673 -5.167 0.415 1.00 0.00 C ATOM 1098 CG1 VAL A 75 5.490 -3.835 -0.295 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.329 -5.830 0.680 1.00 0.00 C ATOM 0 H VAL A 75 6.630 -7.309 1.303 1.00 0.00 H new ATOM 0 HA VAL A 75 6.060 -6.384 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 75 6.153 -4.975 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.846 -3.190 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.461 -3.357 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.032 -4.002 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.700 -5.157 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.840 -6.053 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.483 -6.755 1.235 1.00 0.00 H new ATOM 1109 N GLN A 76 7.979 -4.962 -2.030 1.00 0.00 N ATOM 1110 CA GLN A 76 9.156 -4.242 -2.500 1.00 0.00 C ATOM 1111 C GLN A 76 8.757 -3.041 -3.351 1.00 0.00 C ATOM 1112 O GLN A 76 8.215 -3.195 -4.446 1.00 0.00 O ATOM 1113 CB GLN A 76 10.062 -5.175 -3.306 1.00 0.00 C ATOM 1114 CG GLN A 76 11.314 -4.497 -3.839 1.00 0.00 C ATOM 1115 CD GLN A 76 12.198 -5.441 -4.629 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.738 -6.119 -5.547 1.00 0.00 O ATOM 1117 NE2 GLN A 76 13.477 -5.491 -4.274 1.00 0.00 N ATOM 0 H GLN A 76 7.272 -5.128 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 76 9.701 -3.880 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.354 -6.016 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.496 -5.584 -4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.026 -3.659 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.883 -4.085 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.816 -4.911 -3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.120 -6.109 -4.769 1.00 0.00 H new ATOM 1126 N VAL A 77 9.028 -1.844 -2.841 1.00 0.00 N ATOM 1127 CA VAL A 77 8.698 -0.616 -3.554 1.00 0.00 C ATOM 1128 C VAL A 77 9.845 -0.181 -4.459 1.00 0.00 C ATOM 1129 O VAL A 77 10.968 0.029 -3.998 1.00 0.00 O ATOM 1130 CB VAL A 77 8.366 0.528 -2.578 1.00 0.00 C ATOM 1131 CG1 VAL A 77 9.587 0.893 -1.747 1.00 0.00 C ATOM 1132 CG2 VAL A 77 7.845 1.740 -3.336 1.00 0.00 C ATOM 0 H VAL A 77 9.476 -1.699 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 77 7.820 -0.830 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 77 7.583 0.188 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.333 1.703 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.911 0.024 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.393 1.214 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.615 2.539 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.604 2.083 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.942 1.467 -3.882 1.00 0.00 H new ATOM 1142 N LEU A 78 9.556 -0.046 -5.748 1.00 0.00 N ATOM 1143 CA LEU A 78 10.564 0.366 -6.720 1.00 0.00 C ATOM 1144 C LEU A 78 10.166 1.674 -7.395 1.00 0.00 C ATOM 1145 O LEU A 78 8.981 1.965 -7.558 1.00 0.00 O ATOM 1146 CB LEU A 78 10.761 -0.726 -7.773 1.00 0.00 C ATOM 1147 CG LEU A 78 12.022 -0.612 -8.630 1.00 0.00 C ATOM 1148 CD1 LEU A 78 13.235 -1.120 -7.866 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.852 -1.377 -9.934 1.00 0.00 C ATOM 0 H LEU A 78 8.632 -0.216 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 78 11.503 0.524 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.775 -1.692 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.895 -0.725 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 78 12.182 0.440 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.123 -1.031 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.369 -0.528 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.084 -2.165 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.759 -1.285 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.666 -2.429 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.009 -0.966 -10.489 1.00 0.00 H new ATOM 1161 N ASP A 79 11.164 2.458 -7.788 1.00 0.00 N ATOM 1162 CA ASP A 79 10.919 3.734 -8.450 1.00 0.00 C ATOM 1163 C ASP A 79 10.859 3.558 -9.964 1.00 0.00 C ATOM 1164 O ASP A 79 11.891 3.459 -10.628 1.00 0.00 O ATOM 1165 CB ASP A 79 12.010 4.741 -8.083 1.00 0.00 C ATOM 1166 CG ASP A 79 11.968 5.133 -6.620 1.00 0.00 C ATOM 1167 OD1 ASP A 79 12.091 4.234 -5.761 1.00 0.00 O ATOM 1168 OD2 ASP A 79 11.813 6.338 -6.333 1.00 0.00 O ATOM 0 H ASP A 79 12.150 2.232 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 79 9.956 4.114 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.986 4.315 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.898 5.634 -8.699 1.00 0.00 H new ATOM 1173 N ARG A 80 9.645 3.520 -10.503 1.00 0.00 N ATOM 1174 CA ARG A 80 9.451 3.354 -11.939 1.00 0.00 C ATOM 1175 C ARG A 80 9.690 4.669 -12.675 1.00 0.00 C ATOM 1176 O ARG A 80 10.533 4.749 -13.569 1.00 0.00 O ATOM 1177 CB ARG A 80 8.038 2.844 -12.228 1.00 0.00 C ATOM 1178 CG ARG A 80 7.787 1.431 -11.730 1.00 0.00 C ATOM 1179 CD ARG A 80 8.444 0.397 -12.631 1.00 0.00 C ATOM 1180 NE ARG A 80 7.802 0.326 -13.941 1.00 0.00 N ATOM 1181 CZ ARG A 80 8.185 1.050 -14.987 1.00 0.00 C ATOM 1182 NH1 ARG A 80 9.202 1.894 -14.877 1.00 0.00 N ATOM 1183 NH2 ARG A 80 7.551 0.930 -16.147 1.00 0.00 N ATOM 0 H ARG A 80 8.781 3.602 -9.967 1.00 0.00 H new ATOM 0 HA ARG A 80 10.174 2.621 -12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.316 3.517 -11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.861 2.878 -13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.172 1.328 -10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.714 1.246 -11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.498 0.643 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.400 -0.581 -12.152 1.00 0.00 H new ATOM 0 HE ARG A 80 7.017 -0.314 -14.059 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.692 1.989 -13.988 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.494 2.449 -15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.769 0.281 -16.236 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.846 1.486 -16.949 1.00 0.00 H new ATOM 1197 N LYS A 81 8.942 5.699 -12.294 1.00 0.00 N ATOM 1198 CA LYS A 81 9.071 7.011 -12.917 1.00 0.00 C ATOM 1199 C LYS A 81 9.337 8.087 -11.868 1.00 0.00 C ATOM 1200 O LYS A 81 9.455 7.792 -10.679 1.00 0.00 O ATOM 1201 CB LYS A 81 7.804 7.353 -13.703 1.00 0.00 C ATOM 1202 CG LYS A 81 7.450 6.324 -14.764 1.00 0.00 C ATOM 1203 CD LYS A 81 8.275 6.517 -16.025 1.00 0.00 C ATOM 1204 CE LYS A 81 7.608 5.875 -17.231 1.00 0.00 C ATOM 1205 NZ LYS A 81 6.447 6.674 -17.714 1.00 0.00 N ATOM 0 H LYS A 81 8.240 5.650 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 81 9.918 6.978 -13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.970 7.448 -13.008 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.933 8.325 -14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.616 5.322 -14.370 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.390 6.400 -15.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.415 7.582 -16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.265 6.085 -15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.336 5.770 -18.035 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.274 4.871 -16.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.147 6.322 -18.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.660 6.585 -17.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.723 7.674 -17.794 1.00 0.00 H new ATOM 1219 N ASP A 82 9.428 9.334 -12.317 1.00 0.00 N ATOM 1220 CA ASP A 82 9.677 10.454 -11.417 1.00 0.00 C ATOM 1221 C ASP A 82 8.372 11.147 -11.038 1.00 0.00 C ATOM 1222 O ASP A 82 8.276 12.373 -11.069 1.00 0.00 O ATOM 1223 CB ASP A 82 10.631 11.457 -12.068 1.00 0.00 C ATOM 1224 CG ASP A 82 12.069 10.978 -12.058 1.00 0.00 C ATOM 1225 OD1 ASP A 82 12.479 10.351 -11.059 1.00 0.00 O ATOM 1226 OD2 ASP A 82 12.786 11.231 -13.049 1.00 0.00 O ATOM 0 H ASP A 82 9.333 9.595 -13.299 1.00 0.00 H new ATOM 0 HA ASP A 82 10.137 10.063 -10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.318 11.637 -13.097 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.565 12.410 -11.543 1.00 0.00 H new ATOM 1231 N GLY A 83 7.368 10.352 -10.680 1.00 0.00 N ATOM 1232 CA GLY A 83 6.081 10.907 -10.301 1.00 0.00 C ATOM 1233 C GLY A 83 5.214 9.907 -9.562 1.00 0.00 C ATOM 1234 O GLY A 83 4.477 10.273 -8.646 1.00 0.00 O ATOM 0 H GLY A 83 7.423 9.334 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.238 11.783 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.558 11.247 -11.195 1.00 0.00 H new ATOM 1238 N SER A 84 5.301 8.642 -9.960 1.00 0.00 N ATOM 1239 CA SER A 84 4.514 7.588 -9.332 1.00 0.00 C ATOM 1240 C SER A 84 5.404 6.422 -8.911 1.00 0.00 C ATOM 1241 O SER A 84 6.532 6.285 -9.386 1.00 0.00 O ATOM 1242 CB SER A 84 3.427 7.094 -10.289 1.00 0.00 C ATOM 1243 OG SER A 84 3.994 6.440 -11.411 1.00 0.00 O ATOM 0 H SER A 84 5.909 8.322 -10.714 1.00 0.00 H new ATOM 0 HA SER A 84 4.043 8.003 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.760 6.410 -9.764 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.822 7.937 -10.623 1.00 0.00 H new ATOM 0 HG SER A 84 3.279 6.132 -12.006 1.00 0.00 H new ATOM 1249 N PHE A 85 4.889 5.585 -8.017 1.00 0.00 N ATOM 1250 CA PHE A 85 5.636 4.431 -7.531 1.00 0.00 C ATOM 1251 C PHE A 85 4.882 3.136 -7.814 1.00 0.00 C ATOM 1252 O PHE A 85 3.689 3.154 -8.118 1.00 0.00 O ATOM 1253 CB PHE A 85 5.900 4.564 -6.029 1.00 0.00 C ATOM 1254 CG PHE A 85 7.054 5.467 -5.700 1.00 0.00 C ATOM 1255 CD1 PHE A 85 6.945 6.839 -5.861 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.248 4.944 -5.230 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.006 7.672 -5.560 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.312 5.772 -4.927 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.190 7.138 -5.091 1.00 0.00 C ATOM 0 H PHE A 85 3.957 5.684 -7.614 1.00 0.00 H new ATOM 0 HA PHE A 85 6.589 4.398 -8.059 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.002 4.944 -5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.093 3.575 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.021 7.262 -6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.348 3.877 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.909 8.740 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.238 5.352 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.019 7.788 -4.853 1.00 0.00 H new ATOM 1269 N ILE A 86 5.586 2.014 -7.712 1.00 0.00 N ATOM 1270 CA ILE A 86 4.983 0.709 -7.956 1.00 0.00 C ATOM 1271 C ILE A 86 5.171 -0.216 -6.759 1.00 0.00 C ATOM 1272 O ILE A 86 6.276 -0.354 -6.234 1.00 0.00 O ATOM 1273 CB ILE A 86 5.580 0.039 -9.208 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.842 -1.266 -9.515 1.00 0.00 C ATOM 1275 CG2 ILE A 86 7.066 -0.221 -9.012 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.955 -1.698 -10.961 1.00 0.00 C ATOM 0 H ILE A 86 6.574 1.982 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 86 3.918 0.878 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 86 5.458 0.713 -10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.237 -2.056 -8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.789 -1.147 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.473 -0.695 -9.905 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.580 0.724 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.210 -0.878 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.408 -2.630 -11.106 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.534 -0.926 -11.605 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.004 -1.850 -11.215 1.00 0.00 H new ATOM 1288 N VAL A 87 4.084 -0.852 -6.333 1.00 0.00 N ATOM 1289 CA VAL A 87 4.129 -1.767 -5.199 1.00 0.00 C ATOM 1290 C VAL A 87 3.877 -3.204 -5.642 1.00 0.00 C ATOM 1291 O VAL A 87 2.801 -3.530 -6.144 1.00 0.00 O ATOM 1292 CB VAL A 87 3.093 -1.383 -4.126 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.239 -2.272 -2.900 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.234 0.084 -3.751 1.00 0.00 C ATOM 0 H VAL A 87 3.162 -0.750 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 87 5.129 -1.692 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 87 2.095 -1.535 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.499 -1.986 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.084 -3.313 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.239 -2.155 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.494 0.338 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.234 0.264 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.074 0.702 -4.634 1.00 0.00 H new ATOM 1304 N ARG A 88 4.876 -4.060 -5.454 1.00 0.00 N ATOM 1305 CA ARG A 88 4.763 -5.462 -5.835 1.00 0.00 C ATOM 1306 C ARG A 88 5.143 -6.374 -4.672 1.00 0.00 C ATOM 1307 O ARG A 88 5.894 -5.979 -3.780 1.00 0.00 O ATOM 1308 CB ARG A 88 5.655 -5.758 -7.042 1.00 0.00 C ATOM 1309 CG ARG A 88 7.098 -5.321 -6.854 1.00 0.00 C ATOM 1310 CD ARG A 88 7.882 -5.415 -8.154 1.00 0.00 C ATOM 1311 NE ARG A 88 8.096 -6.800 -8.565 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.444 -7.156 -9.797 1.00 0.00 C ATOM 1313 NH1 ARG A 88 8.617 -6.233 -10.733 1.00 0.00 N ATOM 1314 NH2 ARG A 88 8.621 -8.437 -10.094 1.00 0.00 N ATOM 0 H ARG A 88 5.773 -3.807 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 88 3.725 -5.657 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.632 -6.828 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.244 -5.257 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.124 -4.295 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.572 -5.944 -6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.346 -4.882 -8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.845 -4.920 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 88 7.971 -7.534 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.483 -5.247 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.884 -6.509 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.490 -9.150 -9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.888 -8.709 -11.040 1.00 0.00 H new ATOM 1328 N TYR A 89 4.621 -7.595 -4.689 1.00 0.00 N ATOM 1329 CA TYR A 89 4.903 -8.562 -3.635 1.00 0.00 C ATOM 1330 C TYR A 89 4.671 -9.988 -4.127 1.00 0.00 C ATOM 1331 O TYR A 89 3.925 -10.214 -5.080 1.00 0.00 O ATOM 1332 CB TYR A 89 4.027 -8.285 -2.412 1.00 0.00 C ATOM 1333 CG TYR A 89 2.585 -7.985 -2.754 1.00 0.00 C ATOM 1334 CD1 TYR A 89 2.170 -6.687 -3.023 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.638 -9.000 -2.808 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.854 -6.408 -3.336 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.320 -8.731 -3.121 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.067 -7.434 -3.384 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.380 -7.161 -3.695 1.00 0.00 O ATOM 0 H TYR A 89 4.000 -7.939 -5.421 1.00 0.00 H new ATOM 0 HA TYR A 89 5.951 -8.459 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.062 -9.149 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.444 -7.442 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.889 -5.882 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.938 -10.017 -2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.548 -5.393 -3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.403 -9.532 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.421 -6.674 -4.544 1.00 0.00 H new ATOM 1349 N ARG A 90 5.317 -10.946 -3.470 1.00 0.00 N ATOM 1350 CA ARG A 90 5.183 -12.349 -3.840 1.00 0.00 C ATOM 1351 C ARG A 90 4.437 -13.127 -2.760 1.00 0.00 C ATOM 1352 O ARG A 90 4.727 -12.992 -1.571 1.00 0.00 O ATOM 1353 CB ARG A 90 6.561 -12.971 -4.072 1.00 0.00 C ATOM 1354 CG ARG A 90 6.514 -14.460 -4.374 1.00 0.00 C ATOM 1355 CD ARG A 90 6.620 -15.290 -3.103 1.00 0.00 C ATOM 1356 NE ARG A 90 7.981 -15.309 -2.573 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.000 -15.902 -3.185 1.00 0.00 C ATOM 1358 NH1 ARG A 90 8.813 -16.521 -4.343 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.209 -15.876 -2.640 1.00 0.00 N ATOM 0 H ARG A 90 5.938 -10.776 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 90 4.608 -12.402 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.048 -12.456 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.178 -12.807 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.584 -14.699 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.329 -14.721 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.943 -14.887 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.297 -16.310 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 90 8.159 -14.841 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.885 -16.542 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.597 -16.976 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.357 -15.400 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.991 -16.332 -3.111 1.00 0.00 H new ATOM 1373 N MET A 91 3.475 -13.942 -3.182 1.00 0.00 N ATOM 1374 CA MET A 91 2.689 -14.742 -2.250 1.00 0.00 C ATOM 1375 C MET A 91 2.750 -16.221 -2.618 1.00 0.00 C ATOM 1376 O MET A 91 3.352 -17.023 -1.903 1.00 0.00 O ATOM 1377 CB MET A 91 1.234 -14.267 -2.240 1.00 0.00 C ATOM 1378 CG MET A 91 0.373 -14.969 -1.202 1.00 0.00 C ATOM 1379 SD MET A 91 -1.376 -14.974 -1.639 1.00 0.00 S ATOM 1380 CE MET A 91 -1.660 -13.229 -1.921 1.00 0.00 C ATOM 0 H MET A 91 3.222 -14.065 -4.162 1.00 0.00 H new ATOM 0 HA MET A 91 3.113 -14.616 -1.254 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.212 -13.193 -2.052 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.801 -14.427 -3.228 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.717 -15.997 -1.085 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.501 -14.478 -0.237 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.505 -13.103 -2.598 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.879 -12.738 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.770 -12.782 -2.364 1.00 0.00 H new ATOM 1390 N TYR A 92 2.125 -16.575 -3.735 1.00 0.00 N ATOM 1391 CA TYR A 92 2.107 -17.959 -4.195 1.00 0.00 C ATOM 1392 C TYR A 92 1.409 -18.861 -3.182 1.00 0.00 C ATOM 1393 O TYR A 92 1.973 -19.856 -2.728 1.00 0.00 O ATOM 1394 CB TYR A 92 3.533 -18.456 -4.439 1.00 0.00 C ATOM 1395 CG TYR A 92 4.079 -18.084 -5.799 1.00 0.00 C ATOM 1396 CD1 TYR A 92 4.145 -16.757 -6.204 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.528 -19.060 -6.680 1.00 0.00 C ATOM 1398 CE1 TYR A 92 4.642 -16.412 -7.446 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.028 -18.725 -7.923 1.00 0.00 C ATOM 1400 CZ TYR A 92 5.083 -17.400 -8.302 1.00 0.00 C ATOM 1401 OH TYR A 92 5.579 -17.063 -9.540 1.00 0.00 O ATOM 0 H TYR A 92 1.624 -15.923 -4.339 1.00 0.00 H new ATOM 0 HA TYR A 92 1.551 -17.996 -5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.188 -18.047 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.554 -19.541 -4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.802 -15.981 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.485 -20.099 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 92 4.685 -15.375 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.374 -19.497 -8.595 1.00 0.00 H new ATOM 0 HH TYR A 92 5.847 -17.876 -10.017 1.00 0.00 H new ATOM 1411 N ALA A 93 0.178 -18.504 -2.831 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.600 -19.281 -1.874 1.00 0.00 C ATOM 1413 C ALA A 93 -2.048 -18.806 -1.829 1.00 0.00 C ATOM 1414 O ALA A 93 -2.320 -17.607 -1.891 1.00 0.00 O ATOM 1415 CB ALA A 93 0.029 -19.197 -0.491 1.00 0.00 C ATOM 0 H ALA A 93 -0.302 -17.681 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.597 -20.321 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.562 -19.782 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.044 -19.592 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.056 -18.157 -0.166 1.00 0.00 H new ATOM 1421 N SER A 94 -2.974 -19.753 -1.721 1.00 0.00 N ATOM 1422 CA SER A 94 -4.395 -19.431 -1.672 1.00 0.00 C ATOM 1423 C SER A 94 -4.667 -18.325 -0.657 1.00 0.00 C ATOM 1424 O SER A 94 -4.258 -18.415 0.501 1.00 0.00 O ATOM 1425 CB SER A 94 -5.210 -20.676 -1.316 1.00 0.00 C ATOM 1426 OG SER A 94 -5.099 -21.664 -2.326 1.00 0.00 O ATOM 0 H SER A 94 -2.766 -20.750 -1.666 1.00 0.00 H new ATOM 0 HA SER A 94 -4.696 -19.078 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.863 -21.082 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.257 -20.403 -1.183 1.00 0.00 H new ATOM 0 HG SER A 94 -5.627 -22.450 -2.074 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.359 -17.281 -1.100 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.684 -16.155 -0.232 1.00 0.00 C ATOM 1434 C TYR A 95 -7.171 -15.823 -0.304 1.00 0.00 C ATOM 1435 O TYR A 95 -7.800 -15.961 -1.353 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.856 -14.929 -0.622 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.471 -14.060 0.554 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -3.510 -14.477 1.466 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -5.070 -12.822 0.754 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -3.155 -13.687 2.543 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -4.721 -12.025 1.826 1.00 0.00 C ATOM 1442 CZ TYR A 95 -3.763 -12.461 2.718 1.00 0.00 C ATOM 1443 OH TYR A 95 -3.414 -11.670 3.788 1.00 0.00 O ATOM 0 H TYR A 95 -5.706 -17.191 -2.055 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.443 -16.437 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.950 -15.259 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.422 -14.330 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.032 -15.436 1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.821 -12.477 0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.406 -14.027 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.196 -11.065 1.966 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.934 -10.840 3.765 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.727 -15.383 0.819 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.140 -15.028 0.886 1.00 0.00 C ATOM 1455 C LYS A 96 -9.340 -13.541 0.617 1.00 0.00 C ATOM 1456 O LYS A 96 -9.773 -13.150 -0.466 1.00 0.00 O ATOM 1457 CB LYS A 96 -9.713 -15.391 2.258 1.00 0.00 C ATOM 1458 CG LYS A 96 -9.764 -16.886 2.521 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.064 -17.496 2.024 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.212 -17.217 2.982 1.00 0.00 C ATOM 1461 NZ LYS A 96 -13.537 -17.354 2.315 1.00 0.00 N ATOM 0 H LYS A 96 -7.221 -15.263 1.696 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.668 -15.592 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.110 -14.915 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.720 -14.982 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.922 -17.372 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.659 -17.072 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.304 -17.093 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.940 -18.573 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.157 -17.906 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.111 -16.210 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.293 -17.156 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.600 -16.679 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.644 -18.323 1.952 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.021 -12.716 1.609 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.166 -11.270 1.477 1.00 0.00 C ATOM 1477 C ASN A 97 -7.895 -10.554 1.924 1.00 0.00 C ATOM 1478 O ASN A 97 -7.206 -11.003 2.841 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.358 -10.779 2.301 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.578 -11.666 2.137 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -11.935 -12.050 1.024 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.224 -11.994 3.250 1.00 0.00 N ATOM 0 H ASN A 97 -8.661 -13.023 2.512 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.341 -11.041 0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.078 -10.742 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.609 -9.761 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.052 -12.587 3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.892 -11.652 4.152 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.592 -9.437 1.272 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.405 -8.657 1.602 1.00 0.00 C ATOM 1491 C LEU A 98 -6.789 -7.310 2.205 1.00 0.00 C ATOM 1492 O LEU A 98 -7.903 -6.824 2.010 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.547 -8.443 0.353 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.739 -9.651 -0.122 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.367 -9.502 -1.588 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.492 -9.827 0.732 1.00 0.00 C ATOM 0 H LEU A 98 -8.152 -9.051 0.512 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.828 -9.214 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.199 -8.124 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.856 -7.623 0.548 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.357 -10.542 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.792 -10.371 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.274 -9.426 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.767 -8.602 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.929 -10.691 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.871 -8.934 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.782 -9.982 1.771 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.858 -6.708 2.938 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.096 -5.415 3.568 1.00 0.00 C ATOM 1510 C LYS A 99 -4.976 -4.434 3.237 1.00 0.00 C ATOM 1511 O LYS A 99 -3.835 -4.611 3.664 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.214 -5.578 5.085 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.792 -4.359 5.784 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.364 -4.297 7.241 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.268 -5.143 8.124 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.070 -4.843 9.569 1.00 0.00 N ATOM 0 H LYS A 99 -4.930 -7.096 3.110 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.032 -5.015 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.842 -6.442 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.227 -5.789 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.467 -3.455 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.880 -4.386 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.335 -4.644 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.384 -3.262 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.309 -4.964 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.069 -6.199 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.704 -5.440 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.083 -5.038 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.285 -3.841 9.748 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.309 -3.398 2.473 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.332 -2.387 2.087 1.00 0.00 C ATOM 1532 C VAL A 100 -4.177 -1.329 3.173 1.00 0.00 C ATOM 1533 O VAL A 100 -5.161 -0.883 3.763 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.729 -1.698 0.768 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.784 -0.547 0.461 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.746 -2.704 -0.374 1.00 0.00 C ATOM 0 H VAL A 100 -6.248 -3.237 2.109 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.382 -2.902 1.948 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.734 -1.291 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.080 -0.073 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.827 0.184 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.766 -0.926 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.029 -2.200 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.754 -3.142 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.467 -3.491 -0.155 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.935 -0.932 3.432 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.652 0.074 4.449 1.00 0.00 C ATOM 1548 C GLU A 101 -1.478 0.955 4.030 1.00 0.00 C ATOM 1549 O GLU A 101 -0.361 0.472 3.845 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.347 -0.596 5.790 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.587 -0.892 6.618 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.258 -1.238 8.057 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.346 -2.062 8.275 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.913 -0.685 8.965 1.00 0.00 O ATOM 0 H GLU A 101 -2.110 -1.291 2.952 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.536 0.703 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.811 -1.527 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.681 0.047 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.248 -0.025 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.133 -1.719 6.165 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.741 2.249 3.882 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.708 3.197 3.485 1.00 0.00 C ATOM 1563 C ILE A 102 -0.512 4.273 4.548 1.00 0.00 C ATOM 1564 O ILE A 102 -1.477 4.863 5.035 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.048 3.873 2.144 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.535 2.832 1.133 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.164 4.617 1.603 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.005 2.501 1.269 1.00 0.00 C ATOM 0 H ILE A 102 -2.660 2.665 4.031 1.00 0.00 H new ATOM 0 HA ILE A 102 0.215 2.628 3.372 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.848 4.594 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.345 3.200 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.952 1.919 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.092 5.089 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.471 5.381 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.983 3.915 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.281 1.757 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.198 2.103 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.597 3.404 1.118 1.00 0.00 H new ATOM 1580 N LYS A 103 0.743 4.526 4.903 1.00 0.00 N ATOM 1581 CA LYS A 103 1.068 5.533 5.906 1.00 0.00 C ATOM 1582 C LYS A 103 2.319 6.311 5.511 1.00 0.00 C ATOM 1583 O LYS A 103 3.171 5.805 4.780 1.00 0.00 O ATOM 1584 CB LYS A 103 1.273 4.875 7.272 1.00 0.00 C ATOM 1585 CG LYS A 103 0.096 4.026 7.721 1.00 0.00 C ATOM 1586 CD LYS A 103 0.401 3.291 9.015 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.536 2.110 9.220 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.294 1.031 8.223 1.00 0.00 N ATOM 0 H LYS A 103 1.553 4.047 4.510 1.00 0.00 H new ATOM 0 HA LYS A 103 0.233 6.231 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.167 4.252 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.455 5.651 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.780 4.660 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.152 3.305 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.433 2.940 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.310 3.979 9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.403 1.712 10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.569 2.449 9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.929 0.230 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.478 1.395 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.694 0.713 8.288 1.00 0.00 H new ATOM 1602 N PHE A 104 2.425 7.541 6.000 1.00 0.00 N ATOM 1603 CA PHE A 104 3.573 8.388 5.699 1.00 0.00 C ATOM 1604 C PHE A 104 3.858 9.348 6.850 1.00 0.00 C ATOM 1605 O PHE A 104 3.049 10.224 7.156 1.00 0.00 O ATOM 1606 CB PHE A 104 3.327 9.178 4.411 1.00 0.00 C ATOM 1607 CG PHE A 104 4.246 10.354 4.244 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.592 10.165 3.974 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.764 11.648 4.358 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.441 11.245 3.820 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.608 12.732 4.204 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.948 12.530 3.936 1.00 0.00 C ATOM 0 H PHE A 104 1.729 7.974 6.607 1.00 0.00 H new ATOM 0 HA PHE A 104 4.442 7.744 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.445 8.511 3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.295 9.529 4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.982 9.162 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.718 11.812 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.488 11.084 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.220 13.736 4.293 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.609 13.376 3.817 1.00 0.00 H new ATOM 1622 N GLN A 105 5.013 9.175 7.484 1.00 0.00 N ATOM 1623 CA GLN A 105 5.405 10.025 8.603 1.00 0.00 C ATOM 1624 C GLN A 105 4.468 9.827 9.790 1.00 0.00 C ATOM 1625 O GLN A 105 4.270 10.736 10.596 1.00 0.00 O ATOM 1626 CB GLN A 105 5.406 11.494 8.178 1.00 0.00 C ATOM 1627 CG GLN A 105 6.222 11.764 6.924 1.00 0.00 C ATOM 1628 CD GLN A 105 7.703 11.915 7.212 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.221 11.347 8.174 1.00 0.00 O ATOM 1630 NE2 GLN A 105 8.393 12.683 6.378 1.00 0.00 N ATOM 0 H GLN A 105 5.694 8.455 7.243 1.00 0.00 H new ATOM 0 HA GLN A 105 6.413 9.742 8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.378 11.815 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.799 12.100 8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.075 10.948 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.855 12.671 6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.923 13.135 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.393 12.822 6.522 1.00 0.00 H new ATOM 1639 N GLY A 106 3.893 8.633 9.892 1.00 0.00 N ATOM 1640 CA GLY A 106 2.984 8.338 10.984 1.00 0.00 C ATOM 1641 C GLY A 106 1.591 8.884 10.742 1.00 0.00 C ATOM 1642 O GLY A 106 1.019 9.547 11.607 1.00 0.00 O ATOM 0 H GLY A 106 4.040 7.864 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.928 7.259 11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.381 8.760 11.907 1.00 0.00 H new ATOM 1646 N GLN A 107 1.045 8.606 9.563 1.00 0.00 N ATOM 1647 CA GLN A 107 -0.289 9.076 9.209 1.00 0.00 C ATOM 1648 C GLN A 107 -0.777 8.415 7.925 1.00 0.00 C ATOM 1649 O GLN A 107 -0.021 8.269 6.963 1.00 0.00 O ATOM 1650 CB GLN A 107 -0.290 10.597 9.045 1.00 0.00 C ATOM 1651 CG GLN A 107 0.001 11.056 7.626 1.00 0.00 C ATOM 1652 CD GLN A 107 0.339 12.532 7.547 1.00 0.00 C ATOM 1653 OE1 GLN A 107 -0.503 13.389 7.820 1.00 0.00 O ATOM 1654 NE2 GLN A 107 1.575 12.838 7.173 1.00 0.00 N ATOM 0 H GLN A 107 1.506 8.058 8.837 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.968 8.804 10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.261 10.987 9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.453 11.027 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.831 10.475 7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.866 10.852 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.241 12.096 6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.859 13.815 7.102 1.00 0.00 H new ATOM 1663 N HIS A 108 -2.045 8.016 7.915 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.634 7.369 6.748 1.00 0.00 C ATOM 1665 C HIS A 108 -2.759 8.352 5.587 1.00 0.00 C ATOM 1666 O HIS A 108 -2.920 9.555 5.794 1.00 0.00 O ATOM 1667 CB HIS A 108 -4.008 6.795 7.095 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.944 5.542 7.912 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.351 4.313 7.438 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.516 5.332 9.179 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.177 3.401 8.378 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.672 3.993 9.445 1.00 0.00 N ATOM 0 H HIS A 108 -2.684 8.129 8.702 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.975 6.556 6.444 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.579 7.546 7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.551 6.590 6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.125 6.078 9.855 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.408 2.350 8.289 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.436 3.531 10.323 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.684 7.832 4.367 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.789 8.663 3.174 1.00 0.00 C ATOM 1683 C VAL A 109 -4.155 8.508 2.514 1.00 0.00 C ATOM 1684 O VAL A 109 -4.736 9.479 2.029 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.693 8.315 2.149 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.962 9.011 0.823 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.321 8.690 2.689 1.00 0.00 C ATOM 0 H VAL A 109 -2.551 6.838 4.178 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.660 9.696 3.496 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.709 7.239 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.178 8.754 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.927 8.688 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.974 10.090 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.442 8.437 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.290 9.761 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.130 8.141 3.611 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.662 7.280 2.499 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.961 6.997 1.901 1.00 0.00 C ATOM 1699 C ALA A 110 -6.947 6.487 2.946 1.00 0.00 C ATOM 1700 O ALA A 110 -6.641 6.449 4.138 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.814 5.985 0.773 1.00 0.00 C ATOM 0 H ALA A 110 -4.193 6.465 2.894 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.355 7.927 1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.792 5.783 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.150 6.387 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.395 5.059 1.167 1.00 0.00 H new ATOM 1707 N LYS A 111 -8.133 6.096 2.492 1.00 0.00 N ATOM 1708 CA LYS A 111 -9.166 5.588 3.387 1.00 0.00 C ATOM 1709 C LYS A 111 -8.849 4.163 3.830 1.00 0.00 C ATOM 1710 O LYS A 111 -9.689 3.270 3.729 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.532 5.627 2.698 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.257 6.952 2.859 1.00 0.00 C ATOM 1713 CD LYS A 111 -10.748 7.989 1.873 1.00 0.00 C ATOM 1714 CE LYS A 111 -11.839 8.978 1.492 1.00 0.00 C ATOM 1715 NZ LYS A 111 -11.307 10.106 0.678 1.00 0.00 N ATOM 0 H LYS A 111 -8.403 6.121 1.509 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.193 6.227 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.400 5.422 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.156 4.830 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.327 6.803 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.124 7.320 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.906 8.525 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.378 7.490 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.618 8.461 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.305 9.371 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.082 10.757 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.582 10.615 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.885 9.734 -0.197 1.00 0.00 H new ATOM 1729 N SER A 112 -7.632 3.959 4.324 1.00 0.00 N ATOM 1730 CA SER A 112 -7.203 2.642 4.780 1.00 0.00 C ATOM 1731 C SER A 112 -7.465 2.473 6.274 1.00 0.00 C ATOM 1732 O SER A 112 -7.642 3.442 7.013 1.00 0.00 O ATOM 1733 CB SER A 112 -5.716 2.435 4.485 1.00 0.00 C ATOM 1734 OG SER A 112 -5.527 1.829 3.218 1.00 0.00 O ATOM 0 H SER A 112 -6.926 4.689 4.419 1.00 0.00 H new ATOM 0 HA SER A 112 -7.781 1.892 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.199 3.394 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.272 1.811 5.260 1.00 0.00 H new ATOM 0 HG SER A 112 -6.341 1.931 2.682 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.491 1.212 6.730 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.282 0.051 5.860 1.00 0.00 C ATOM 1742 C PRO A 113 -8.445 -0.170 4.899 1.00 0.00 C ATOM 1743 O PRO A 113 -9.548 0.334 5.117 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.175 -1.116 6.845 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.927 -0.666 8.049 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.726 0.823 8.131 1.00 0.00 C ATOM 0 HA PRO A 113 -6.405 0.172 5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.604 -2.027 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.135 -1.336 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.985 -0.913 7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.557 -1.160 8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.600 1.324 8.546 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.879 1.080 8.767 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.193 -0.925 3.835 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.219 -1.210 2.839 1.00 0.00 C ATOM 1756 C TYR A 114 -9.667 -2.666 2.920 1.00 0.00 C ATOM 1757 O TYR A 114 -8.973 -3.567 2.448 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.695 -0.903 1.435 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.697 0.571 1.097 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.888 1.251 0.873 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.508 1.283 1.001 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.894 2.597 0.564 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.505 2.630 0.693 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.700 3.282 0.475 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.701 4.624 0.167 1.00 0.00 O ATOM 0 H TYR A 114 -7.287 -1.351 3.640 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.078 -0.572 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.679 -1.287 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.304 -1.436 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.825 0.718 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.570 0.775 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.829 3.111 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.572 3.169 0.623 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.474 4.829 -0.400 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.831 -2.887 3.522 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.373 -4.233 3.663 1.00 0.00 C ATOM 1777 C ILE A 115 -12.119 -4.660 2.404 1.00 0.00 C ATOM 1778 O ILE A 115 -13.148 -4.081 2.052 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.325 -4.332 4.869 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.741 -3.587 6.071 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.588 -5.789 5.219 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.366 -4.073 6.473 1.00 0.00 C ATOM 0 H ILE A 115 -11.416 -2.152 3.919 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.526 -4.900 3.823 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.274 -3.866 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.688 -2.523 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.418 -3.694 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.263 -5.842 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.043 -6.292 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.647 -6.279 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.014 -3.500 7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.416 -5.129 6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.675 -3.940 5.640 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.596 -5.678 1.730 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.213 -6.186 0.509 1.00 0.00 C ATOM 1796 C LEU A 116 -12.425 -7.694 0.593 1.00 0.00 C ATOM 1797 O LEU A 116 -11.496 -8.475 0.389 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.345 -5.848 -0.704 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.742 -4.443 -0.727 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.410 -4.446 -1.463 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.707 -3.459 -1.372 1.00 0.00 C ATOM 0 H LEU A 116 -10.746 -6.168 2.008 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.185 -5.707 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.532 -6.572 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.946 -5.978 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.565 -4.127 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.996 -3.438 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.717 -5.120 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.562 -4.782 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.261 -2.464 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.915 -3.771 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.637 -3.436 -0.804 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.656 -8.097 0.892 1.00 0.00 N ATOM 1814 CA LYS A 117 -13.993 -9.512 1.000 1.00 0.00 C ATOM 1815 C LYS A 117 -14.733 -9.991 -0.245 1.00 0.00 C ATOM 1816 O LYS A 117 -14.452 -11.067 -0.771 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.849 -9.760 2.243 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.173 -9.015 2.229 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.719 -8.821 3.633 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.002 -7.693 4.359 1.00 0.00 C ATOM 1821 NZ LYS A 117 -16.409 -6.356 3.845 1.00 0.00 N ATOM 0 H LYS A 117 -14.437 -7.463 1.064 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.064 -10.076 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.044 -10.829 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.285 -9.464 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.040 -8.044 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.896 -9.568 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.786 -8.603 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.609 -9.747 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.217 -7.753 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -14.925 -7.814 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -16.062 -5.616 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.003 -6.210 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.446 -6.307 3.788 1.00 0.00 H new