USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -2.07! C(o=-2.2!,f=-8.4!) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= -0.105 USER MOD Set 2.1: A 44 CYS SG : rot 160:sc= -0.566 USER MOD Set 2.2: A 68 ASN : amide:sc= -5.43! C(o=-6!,f=-12!) USER MOD Set 3.1: A 25 TYR OH : rot 124:sc= 0.986 USER MOD Set 3.2: A 48 HIS : no HE2:sc= -0.941 K(o=0.045,f=-5.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc=-0.00472 (180deg=-0.115) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 70:sc= 0.00794 USER MOD Single : A 19 GLN : amide:sc= -0.0668 K(o=-0.067,f=-1.9!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.452 K(o=-0.45,f=-1.7) USER MOD Single : A 22 THR OG1 : rot 4:sc= 0.0815 USER MOD Single : A 26 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 31 THR OG1 : rot 85:sc= 0.029 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 36 SER OG : rot 130:sc= 0.792 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 61 ASN : amide:sc= -5.39! C(o=-5.4!,f=-6.6!) USER MOD Single : A 69 ASN : amide:sc= -4.62 K(o=-4.6,f=-7.5!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -105:sc= -2.81 (180deg=-5.19!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 168:sc= -2.27! (180deg=-2.95!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 79:sc= 0.0712 USER MOD Single : A 108 LYS NZ :NH3+ -160:sc= -0.64 (180deg=-0.795) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.374 -8.124 2.120 1.00 0.00 N ATOM 136 CA SER A 12 -7.488 -8.332 3.559 1.00 0.00 C ATOM 137 C SER A 12 -6.575 -7.376 4.320 1.00 0.00 C ATOM 138 O SER A 12 -7.021 -6.646 5.207 1.00 0.00 O ATOM 139 CB SER A 12 -7.141 -9.779 3.916 1.00 0.00 C ATOM 140 OG SER A 12 -7.382 -10.038 5.288 1.00 0.00 O ATOM 0 HA SER A 12 -8.519 -8.131 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.734 -10.460 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.094 -9.973 3.685 1.00 0.00 H new ATOM 0 HG SER A 12 -7.154 -10.969 5.490 1.00 0.00 H new ATOM 146 N LYS A 13 -5.294 -7.384 3.968 1.00 0.00 N ATOM 147 CA LYS A 13 -4.316 -6.518 4.615 1.00 0.00 C ATOM 148 C LYS A 13 -4.616 -5.050 4.329 1.00 0.00 C ATOM 149 O LYS A 13 -4.746 -4.241 5.249 1.00 0.00 O ATOM 150 CB LYS A 13 -2.904 -6.863 4.139 1.00 0.00 C ATOM 151 CG LYS A 13 -1.827 -6.582 5.173 1.00 0.00 C ATOM 152 CD LYS A 13 -1.542 -5.094 5.290 1.00 0.00 C ATOM 153 CE LYS A 13 -0.601 -4.796 6.447 1.00 0.00 C ATOM 154 NZ LYS A 13 -1.260 -5.001 7.766 1.00 0.00 N ATOM 0 H LYS A 13 -4.908 -7.982 3.237 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.379 -6.681 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.869 -7.918 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.685 -6.294 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.141 -6.971 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.912 -7.108 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.103 -4.732 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.478 -4.553 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.277 -5.439 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.249 -3.767 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.665 -4.599 8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.187 -4.529 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.390 -6.019 7.935 1.00 0.00 H new ATOM 168 N LEU A 14 -4.726 -4.712 3.049 1.00 0.00 N ATOM 169 CA LEU A 14 -5.013 -3.341 2.641 1.00 0.00 C ATOM 170 C LEU A 14 -6.093 -2.725 3.524 1.00 0.00 C ATOM 171 O LEU A 14 -5.934 -1.616 4.036 1.00 0.00 O ATOM 172 CB LEU A 14 -5.453 -3.305 1.176 1.00 0.00 C ATOM 173 CG LEU A 14 -6.163 -2.031 0.720 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.204 -0.850 0.735 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.759 -2.219 -0.667 1.00 0.00 C ATOM 0 H LEU A 14 -4.621 -5.369 2.276 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.100 -2.756 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.573 -3.451 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.116 -4.151 0.996 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.975 -1.822 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.728 0.048 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.826 -0.701 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.370 -1.050 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.260 -1.302 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.965 -2.454 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.479 -3.037 -0.646 1.00 0.00 H new ATOM 187 N LEU A 15 -7.191 -3.452 3.700 1.00 0.00 N ATOM 188 CA LEU A 15 -8.298 -2.978 4.523 1.00 0.00 C ATOM 189 C LEU A 15 -7.808 -2.556 5.905 1.00 0.00 C ATOM 190 O LEU A 15 -8.073 -1.441 6.357 1.00 0.00 O ATOM 191 CB LEU A 15 -9.362 -4.068 4.658 1.00 0.00 C ATOM 192 CG LEU A 15 -10.536 -3.750 5.586 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.429 -2.684 4.970 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.335 -5.010 5.887 1.00 0.00 C ATOM 0 H LEU A 15 -7.338 -4.372 3.284 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.737 -2.109 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.758 -4.286 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.879 -4.977 5.015 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.138 -3.364 6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.259 -2.471 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.851 -1.775 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.819 -3.042 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.166 -4.765 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.722 -5.426 4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.690 -5.743 6.372 1.00 0.00 H new ATOM 206 N THR A 16 -7.089 -3.454 6.572 1.00 0.00 N ATOM 207 CA THR A 16 -6.560 -3.175 7.901 1.00 0.00 C ATOM 208 C THR A 16 -5.953 -1.779 7.969 1.00 0.00 C ATOM 209 O THR A 16 -6.284 -0.991 8.855 1.00 0.00 O ATOM 210 CB THR A 16 -5.492 -4.208 8.308 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.057 -5.523 8.307 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.932 -3.892 9.687 1.00 0.00 C ATOM 0 H THR A 16 -6.860 -4.381 6.213 1.00 0.00 H new ATOM 0 HA THR A 16 -7.398 -3.237 8.595 1.00 0.00 H new ATOM 0 HB THR A 16 -4.679 -4.162 7.584 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.371 -6.174 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.180 -4.635 9.953 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.477 -2.902 9.677 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.738 -3.913 10.421 1.00 0.00 H new ATOM 220 N TRP A 17 -5.064 -1.479 7.029 1.00 0.00 N ATOM 221 CA TRP A 17 -4.411 -0.175 6.983 1.00 0.00 C ATOM 222 C TRP A 17 -5.441 0.949 6.956 1.00 0.00 C ATOM 223 O TRP A 17 -5.472 1.796 7.849 1.00 0.00 O ATOM 224 CB TRP A 17 -3.502 -0.080 5.756 1.00 0.00 C ATOM 225 CG TRP A 17 -2.765 1.221 5.663 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.642 1.578 6.352 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.101 2.338 4.832 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.259 2.850 6.001 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.137 3.338 5.070 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.120 2.591 3.911 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.166 4.568 4.419 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.147 3.812 3.266 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.175 4.789 3.521 1.00 0.00 C ATOM 0 H TRP A 17 -4.779 -2.120 6.289 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.807 -0.067 7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.781 -0.897 5.783 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.103 -0.214 4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.130 0.952 7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.452 3.350 6.373 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.874 1.845 3.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.418 5.322 4.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.931 4.018 2.552 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.223 5.733 2.999 1.00 0.00 H new ATOM 244 N CYS A 18 -6.281 0.951 5.927 1.00 0.00 N ATOM 245 CA CYS A 18 -7.313 1.972 5.784 1.00 0.00 C ATOM 246 C CYS A 18 -8.093 2.142 7.084 1.00 0.00 C ATOM 247 O CYS A 18 -8.188 3.245 7.621 1.00 0.00 O ATOM 248 CB CYS A 18 -8.267 1.607 4.646 1.00 0.00 C ATOM 249 SG CYS A 18 -7.452 1.360 3.051 1.00 0.00 S ATOM 0 H CYS A 18 -6.268 0.257 5.179 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.824 2.917 5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.803 0.696 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.012 2.396 4.543 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.755 0.263 3.085 1.00 0.00 H new ATOM 255 N GLN A 19 -8.651 1.043 7.581 1.00 0.00 N ATOM 256 CA GLN A 19 -9.426 1.072 8.816 1.00 0.00 C ATOM 257 C GLN A 19 -8.709 1.885 9.889 1.00 0.00 C ATOM 258 O GLN A 19 -9.304 2.760 10.518 1.00 0.00 O ATOM 259 CB GLN A 19 -9.676 -0.351 9.319 1.00 0.00 C ATOM 260 CG GLN A 19 -10.862 -1.031 8.653 1.00 0.00 C ATOM 261 CD GLN A 19 -11.368 -2.223 9.441 1.00 0.00 C ATOM 262 OE1 GLN A 19 -11.064 -2.374 10.625 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.145 -3.079 8.788 1.00 0.00 N ATOM 0 H GLN A 19 -8.581 0.122 7.148 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.383 1.548 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.781 -0.950 9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.841 -0.323 10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.670 -0.309 8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.575 -1.356 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.372 -2.916 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.515 -3.900 9.267 1.00 0.00 H new ATOM 272 N GLN A 20 -7.429 1.589 10.092 1.00 0.00 N ATOM 273 CA GLN A 20 -6.633 2.293 11.090 1.00 0.00 C ATOM 274 C GLN A 20 -6.567 3.785 10.782 1.00 0.00 C ATOM 275 O GLN A 20 -6.877 4.618 11.633 1.00 0.00 O ATOM 276 CB GLN A 20 -5.220 1.709 11.149 1.00 0.00 C ATOM 277 CG GLN A 20 -5.160 0.322 11.768 1.00 0.00 C ATOM 278 CD GLN A 20 -3.823 0.032 12.422 1.00 0.00 C ATOM 279 OE1 GLN A 20 -3.753 -0.261 13.616 1.00 0.00 O ATOM 280 NE2 GLN A 20 -2.752 0.111 11.640 1.00 0.00 N ATOM 0 H GLN A 20 -6.922 0.868 9.579 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.114 2.163 12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.812 1.665 10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.582 2.381 11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.952 0.225 12.511 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.353 -0.424 10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.856 0.357 10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.825 -0.075 12.024 1.00 0.00 H new ATOM 289 N GLN A 21 -6.160 4.114 9.560 1.00 0.00 N ATOM 290 CA GLN A 21 -6.053 5.506 9.140 1.00 0.00 C ATOM 291 C GLN A 21 -7.297 6.293 9.540 1.00 0.00 C ATOM 292 O GLN A 21 -7.201 7.396 10.079 1.00 0.00 O ATOM 293 CB GLN A 21 -5.847 5.590 7.627 1.00 0.00 C ATOM 294 CG GLN A 21 -4.607 4.857 7.140 1.00 0.00 C ATOM 295 CD GLN A 21 -3.365 5.225 7.928 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.967 6.389 7.975 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.745 4.230 8.552 1.00 0.00 N ATOM 0 H GLN A 21 -5.899 3.436 8.844 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.191 5.945 9.642 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.723 5.178 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.777 6.638 7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.773 3.782 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.445 5.085 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.110 3.280 8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.903 4.416 9.098 1.00 0.00 H new ATOM 306 N THR A 22 -8.466 5.718 9.274 1.00 0.00 N ATOM 307 CA THR A 22 -9.729 6.366 9.604 1.00 0.00 C ATOM 308 C THR A 22 -10.185 5.995 11.010 1.00 0.00 C ATOM 309 O THR A 22 -11.382 5.968 11.297 1.00 0.00 O ATOM 310 CB THR A 22 -10.834 5.987 8.601 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.994 4.564 8.563 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.501 6.501 7.208 1.00 0.00 C ATOM 0 H THR A 22 -8.564 4.805 8.831 1.00 0.00 H new ATOM 0 HA THR A 22 -9.556 7.441 9.553 1.00 0.00 H new ATOM 0 HB THR A 22 -11.765 6.449 8.929 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.402 4.150 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.296 6.221 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.408 7.587 7.233 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.560 6.064 6.874 1.00 0.00 H new ATOM 320 N GLU A 23 -9.225 5.710 11.884 1.00 0.00 N ATOM 321 CA GLU A 23 -9.530 5.340 13.261 1.00 0.00 C ATOM 322 C GLU A 23 -9.861 6.574 14.095 1.00 0.00 C ATOM 323 O GLU A 23 -9.133 7.565 14.073 1.00 0.00 O ATOM 324 CB GLU A 23 -8.351 4.590 13.885 1.00 0.00 C ATOM 325 CG GLU A 23 -8.618 4.105 15.299 1.00 0.00 C ATOM 326 CD GLU A 23 -7.832 2.855 15.646 1.00 0.00 C ATOM 327 OE1 GLU A 23 -6.662 2.753 15.222 1.00 0.00 O ATOM 328 OE2 GLU A 23 -8.388 1.979 16.340 1.00 0.00 O ATOM 0 H GLU A 23 -8.229 5.728 11.663 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.402 4.686 13.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.103 3.734 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.479 5.244 13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.364 4.896 16.004 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.683 3.904 15.415 1.00 0.00 H new ATOM 335 N GLY A 24 -10.966 6.505 14.831 1.00 0.00 N ATOM 336 CA GLY A 24 -11.376 7.623 15.661 1.00 0.00 C ATOM 337 C GLY A 24 -12.389 8.516 14.973 1.00 0.00 C ATOM 338 O GLY A 24 -13.357 8.958 15.591 1.00 0.00 O ATOM 0 H GLY A 24 -11.585 5.695 14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.802 7.244 16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.499 8.213 15.929 1.00 0.00 H new ATOM 342 N TYR A 25 -12.165 8.784 13.692 1.00 0.00 N ATOM 343 CA TYR A 25 -13.064 9.634 12.920 1.00 0.00 C ATOM 344 C TYR A 25 -14.516 9.401 13.325 1.00 0.00 C ATOM 345 O TYR A 25 -14.913 8.277 13.630 1.00 0.00 O ATOM 346 CB TYR A 25 -12.891 9.369 11.424 1.00 0.00 C ATOM 347 CG TYR A 25 -11.791 10.187 10.787 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.456 9.954 11.095 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.086 11.194 9.875 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.448 10.700 10.516 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.084 11.944 9.290 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.767 11.693 9.614 1.00 0.00 C ATOM 353 OH TYR A 25 -8.765 12.438 9.034 1.00 0.00 O ATOM 0 H TYR A 25 -11.368 8.425 13.166 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.810 10.673 13.130 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.679 8.311 11.273 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.831 9.581 10.915 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.202 9.176 11.800 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.116 11.393 9.619 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.416 10.507 10.768 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.331 12.722 8.583 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.839 12.382 8.058 1.00 0.00 H new ATOM 363 N GLN A 26 -15.303 10.472 13.325 1.00 0.00 N ATOM 364 CA GLN A 26 -16.711 10.385 13.693 1.00 0.00 C ATOM 365 C GLN A 26 -17.572 10.063 12.476 1.00 0.00 C ATOM 366 O GLN A 26 -17.167 10.296 11.336 1.00 0.00 O ATOM 367 CB GLN A 26 -17.176 11.696 14.329 1.00 0.00 C ATOM 368 CG GLN A 26 -16.653 11.906 15.741 1.00 0.00 C ATOM 369 CD GLN A 26 -16.537 13.372 16.108 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.181 13.842 17.046 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.712 14.105 15.368 1.00 0.00 N ATOM 0 H GLN A 26 -14.990 11.410 13.074 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.822 9.579 14.418 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.853 12.528 13.703 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.266 11.715 14.347 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.318 11.410 16.448 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.676 11.433 15.837 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.197 13.675 14.600 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.593 15.098 15.568 1.00 0.00 H new ATOM 380 N HIS A 27 -18.762 9.525 12.725 1.00 0.00 N ATOM 381 CA HIS A 27 -19.681 9.171 11.649 1.00 0.00 C ATOM 382 C HIS A 27 -18.941 8.479 10.508 1.00 0.00 C ATOM 383 O HIS A 27 -19.383 8.508 9.359 1.00 0.00 O ATOM 384 CB HIS A 27 -20.394 10.419 11.127 1.00 0.00 C ATOM 385 CG HIS A 27 -21.649 10.749 11.874 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.784 9.968 11.819 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.944 11.781 12.698 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.724 10.506 12.576 1.00 0.00 C ATOM 389 NE2 HIS A 27 -23.239 11.608 13.121 1.00 0.00 N ATOM 0 H HIS A 27 -19.112 9.325 13.662 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.422 8.480 12.050 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.713 11.268 11.185 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.635 10.276 10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -21.284 12.590 12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.719 10.112 12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.744 12.229 13.753 1.00 0.00 H new ATOM 398 N VAL A 28 -17.812 7.857 10.832 1.00 0.00 N ATOM 399 CA VAL A 28 -17.011 7.157 9.835 1.00 0.00 C ATOM 400 C VAL A 28 -16.716 5.727 10.273 1.00 0.00 C ATOM 401 O VAL A 28 -15.767 5.477 11.014 1.00 0.00 O ATOM 402 CB VAL A 28 -15.680 7.886 9.572 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.837 7.115 8.568 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.937 9.305 9.087 1.00 0.00 C ATOM 0 H VAL A 28 -17.431 7.824 11.778 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.595 7.139 8.915 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.125 7.941 10.509 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.901 7.646 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.623 6.121 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.382 7.025 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.986 9.806 8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.513 9.275 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.497 9.853 9.845 1.00 0.00 H new ATOM 414 N ASN A 29 -17.537 4.791 9.808 1.00 0.00 N ATOM 415 CA ASN A 29 -17.365 3.384 10.151 1.00 0.00 C ATOM 416 C ASN A 29 -16.926 2.577 8.933 1.00 0.00 C ATOM 417 O ASN A 29 -17.729 2.281 8.048 1.00 0.00 O ATOM 418 CB ASN A 29 -18.668 2.811 10.713 1.00 0.00 C ATOM 419 CG ASN A 29 -18.653 1.296 10.778 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.759 0.698 11.377 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.646 0.668 10.159 1.00 0.00 N ATOM 0 H ASN A 29 -18.328 4.981 9.193 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.587 3.314 10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.837 3.213 11.712 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.503 3.137 10.092 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.689 -0.351 10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.366 1.205 9.675 1.00 0.00 H new ATOM 428 N VAL A 30 -15.645 2.222 8.895 1.00 0.00 N ATOM 429 CA VAL A 30 -15.099 1.448 7.787 1.00 0.00 C ATOM 430 C VAL A 30 -15.108 -0.044 8.102 1.00 0.00 C ATOM 431 O VAL A 30 -14.445 -0.497 9.036 1.00 0.00 O ATOM 432 CB VAL A 30 -13.659 1.883 7.455 1.00 0.00 C ATOM 433 CG1 VAL A 30 -13.084 1.020 6.342 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.622 3.355 7.074 1.00 0.00 C ATOM 0 H VAL A 30 -14.967 2.458 9.619 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.736 1.638 6.923 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.042 1.746 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.066 1.342 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.074 -0.023 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.699 1.122 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.597 3.645 6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.252 3.521 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.990 3.956 7.906 1.00 0.00 H new ATOM 444 N THR A 31 -15.863 -0.804 7.316 1.00 0.00 N ATOM 445 CA THR A 31 -15.960 -2.246 7.511 1.00 0.00 C ATOM 446 C THR A 31 -15.643 -2.997 6.223 1.00 0.00 C ATOM 447 O THR A 31 -15.119 -4.111 6.256 1.00 0.00 O ATOM 448 CB THR A 31 -17.363 -2.654 7.997 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.356 -2.182 7.080 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.639 -2.094 9.385 1.00 0.00 C ATOM 0 H THR A 31 -16.417 -0.445 6.538 1.00 0.00 H new ATOM 0 HA THR A 31 -15.228 -2.512 8.274 1.00 0.00 H new ATOM 0 HB THR A 31 -17.404 -3.742 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.455 -2.824 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.636 -2.395 9.707 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.899 -2.479 10.087 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.580 -1.006 9.357 1.00 0.00 H new ATOM 458 N ASP A 32 -15.961 -2.381 5.090 1.00 0.00 N ATOM 459 CA ASP A 32 -15.708 -2.991 3.790 1.00 0.00 C ATOM 460 C ASP A 32 -14.952 -2.031 2.877 1.00 0.00 C ATOM 461 O ASP A 32 -14.565 -0.938 3.292 1.00 0.00 O ATOM 462 CB ASP A 32 -17.025 -3.408 3.134 1.00 0.00 C ATOM 463 CG ASP A 32 -17.741 -4.495 3.912 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.252 -5.644 3.916 1.00 0.00 O ATOM 465 OD2 ASP A 32 -18.791 -4.195 4.518 1.00 0.00 O ATOM 0 H ASP A 32 -16.395 -1.459 5.046 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.092 -3.877 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.676 -2.538 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.828 -3.760 2.121 1.00 0.00 H new ATOM 470 N LEU A 33 -14.745 -2.447 1.633 1.00 0.00 N ATOM 471 CA LEU A 33 -14.034 -1.624 0.660 1.00 0.00 C ATOM 472 C LEU A 33 -14.907 -1.345 -0.559 1.00 0.00 C ATOM 473 O LEU A 33 -14.411 -1.246 -1.682 1.00 0.00 O ATOM 474 CB LEU A 33 -12.739 -2.315 0.227 1.00 0.00 C ATOM 475 CG LEU A 33 -11.865 -2.868 1.353 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.957 -3.971 0.832 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.045 -1.755 1.988 1.00 0.00 C ATOM 0 H LEU A 33 -15.059 -3.349 1.274 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.790 -0.673 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.995 -3.135 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.147 -1.605 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.516 -3.293 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.343 -4.352 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.564 -4.780 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.313 -3.572 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.429 -2.167 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.403 -1.300 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.714 -0.999 2.399 1.00 0.00 H new ATOM 489 N THR A 34 -16.210 -1.218 -0.331 1.00 0.00 N ATOM 490 CA THR A 34 -17.153 -0.949 -1.410 1.00 0.00 C ATOM 491 C THR A 34 -18.101 0.185 -1.042 1.00 0.00 C ATOM 492 O THR A 34 -18.198 1.185 -1.755 1.00 0.00 O ATOM 493 CB THR A 34 -17.979 -2.202 -1.758 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.411 -2.853 -0.559 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.164 -3.170 -2.602 1.00 0.00 C ATOM 0 H THR A 34 -16.637 -1.297 0.592 1.00 0.00 H new ATOM 0 HA THR A 34 -16.564 -0.657 -2.280 1.00 0.00 H new ATOM 0 HB THR A 34 -18.850 -1.888 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.937 -3.647 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.768 -4.047 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.862 -2.680 -3.528 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.277 -3.477 -2.048 1.00 0.00 H new ATOM 503 N THR A 35 -18.800 0.027 0.078 1.00 0.00 N ATOM 504 CA THR A 35 -19.742 1.038 0.541 1.00 0.00 C ATOM 505 C THR A 35 -19.033 2.123 1.344 1.00 0.00 C ATOM 506 O THR A 35 -19.358 3.304 1.231 1.00 0.00 O ATOM 507 CB THR A 35 -20.853 0.416 1.408 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.275 -0.403 2.431 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.800 -0.418 0.559 1.00 0.00 C ATOM 0 H THR A 35 -18.731 -0.792 0.681 1.00 0.00 H new ATOM 0 HA THR A 35 -20.191 1.482 -0.347 1.00 0.00 H new ATOM 0 HB THR A 35 -21.420 1.225 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.988 -0.793 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.576 -0.847 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.261 0.214 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.243 -1.220 0.074 1.00 0.00 H new ATOM 517 N SER A 36 -18.063 1.713 2.155 1.00 0.00 N ATOM 518 CA SER A 36 -17.310 2.651 2.980 1.00 0.00 C ATOM 519 C SER A 36 -16.808 3.826 2.146 1.00 0.00 C ATOM 520 O SER A 36 -16.734 4.956 2.629 1.00 0.00 O ATOM 521 CB SER A 36 -16.129 1.942 3.646 1.00 0.00 C ATOM 522 OG SER A 36 -16.549 0.760 4.304 1.00 0.00 O ATOM 0 H SER A 36 -17.780 0.738 2.259 1.00 0.00 H new ATOM 0 HA SER A 36 -17.977 3.035 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.378 1.697 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.656 2.613 4.363 1.00 0.00 H new ATOM 0 HG SER A 36 -15.971 0.014 4.038 1.00 0.00 H new ATOM 528 N TRP A 37 -16.466 3.550 0.893 1.00 0.00 N ATOM 529 CA TRP A 37 -15.970 4.584 -0.009 1.00 0.00 C ATOM 530 C TRP A 37 -16.998 4.901 -1.089 1.00 0.00 C ATOM 531 O TRP A 37 -16.642 5.168 -2.238 1.00 0.00 O ATOM 532 CB TRP A 37 -14.655 4.141 -0.652 1.00 0.00 C ATOM 533 CG TRP A 37 -13.789 3.331 0.264 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.065 2.091 0.768 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.509 3.703 0.786 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.032 1.671 1.572 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.066 2.641 1.599 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.693 4.829 0.644 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.844 2.675 2.266 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.482 4.861 1.308 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.066 3.790 2.110 1.00 0.00 C ATOM 0 H TRP A 37 -16.523 2.620 0.478 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.793 5.487 0.575 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.875 3.555 -1.545 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.103 5.023 -0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.962 1.525 0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.992 0.781 2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -12.004 5.659 0.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.522 1.850 2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.845 5.727 1.207 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.113 3.846 2.615 1.00 0.00 H new ATOM 552 N ARG A 38 -18.273 4.871 -0.715 1.00 0.00 N ATOM 553 CA ARG A 38 -19.351 5.154 -1.654 1.00 0.00 C ATOM 554 C ARG A 38 -19.678 6.645 -1.673 1.00 0.00 C ATOM 555 O ARG A 38 -20.097 7.186 -2.696 1.00 0.00 O ATOM 556 CB ARG A 38 -20.601 4.352 -1.285 1.00 0.00 C ATOM 557 CG ARG A 38 -21.315 4.872 -0.049 1.00 0.00 C ATOM 558 CD ARG A 38 -22.231 3.816 0.551 1.00 0.00 C ATOM 559 NE ARG A 38 -22.859 4.274 1.787 1.00 0.00 N ATOM 560 CZ ARG A 38 -23.898 5.101 1.821 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.424 5.557 0.693 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.414 5.472 2.986 1.00 0.00 N ATOM 0 H ARG A 38 -18.584 4.654 0.232 1.00 0.00 H new ATOM 0 HA ARG A 38 -19.019 4.859 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.293 4.366 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.320 3.312 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.580 5.182 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.898 5.756 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.003 3.553 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -21.658 2.910 0.750 1.00 0.00 H new ATOM 0 HE ARG A 38 -22.479 3.941 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.031 5.273 -0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -25.222 6.192 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.013 5.122 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.212 6.107 3.011 1.00 0.00 H new ATOM 576 N SER A 39 -19.484 7.303 -0.534 1.00 0.00 N ATOM 577 CA SER A 39 -19.761 8.729 -0.419 1.00 0.00 C ATOM 578 C SER A 39 -18.514 9.552 -0.727 1.00 0.00 C ATOM 579 O SER A 39 -18.555 10.488 -1.525 1.00 0.00 O ATOM 580 CB SER A 39 -20.270 9.059 0.986 1.00 0.00 C ATOM 581 OG SER A 39 -20.123 10.440 1.270 1.00 0.00 O ATOM 0 H SER A 39 -19.136 6.871 0.322 1.00 0.00 H new ATOM 0 HA SER A 39 -20.532 8.984 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.319 8.776 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.721 8.472 1.722 1.00 0.00 H new ATOM 0 HG SER A 39 -20.457 10.626 2.173 1.00 0.00 H new ATOM 587 N GLY A 40 -17.405 9.196 -0.087 1.00 0.00 N ATOM 588 CA GLY A 40 -16.161 9.911 -0.305 1.00 0.00 C ATOM 589 C GLY A 40 -15.436 10.222 0.990 1.00 0.00 C ATOM 590 O GLY A 40 -14.207 10.165 1.051 1.00 0.00 O ATOM 0 H GLY A 40 -17.345 8.425 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.512 9.316 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.368 10.841 -0.834 1.00 0.00 H new ATOM 594 N LEU A 41 -16.197 10.552 2.027 1.00 0.00 N ATOM 595 CA LEU A 41 -15.619 10.875 3.327 1.00 0.00 C ATOM 596 C LEU A 41 -14.527 9.878 3.701 1.00 0.00 C ATOM 597 O LEU A 41 -13.502 10.249 4.271 1.00 0.00 O ATOM 598 CB LEU A 41 -16.707 10.884 4.403 1.00 0.00 C ATOM 599 CG LEU A 41 -17.934 11.748 4.109 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.009 11.524 5.162 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.547 13.218 4.044 1.00 0.00 C ATOM 0 H LEU A 41 -17.215 10.603 1.993 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.172 11.867 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.040 9.858 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.263 11.225 5.338 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.337 11.456 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.875 12.147 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.307 10.475 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.617 11.789 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.432 13.818 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.119 13.524 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.812 13.366 3.253 1.00 0.00 H new ATOM 613 N ALA A 42 -14.754 8.610 3.374 1.00 0.00 N ATOM 614 CA ALA A 42 -13.788 7.559 3.671 1.00 0.00 C ATOM 615 C ALA A 42 -12.379 7.978 3.264 1.00 0.00 C ATOM 616 O ALA A 42 -11.495 8.123 4.109 1.00 0.00 O ATOM 617 CB ALA A 42 -14.180 6.267 2.970 1.00 0.00 C ATOM 0 H ALA A 42 -15.599 8.286 2.903 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.792 7.390 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.450 5.492 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.165 5.951 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.206 6.431 1.893 1.00 0.00 H new ATOM 623 N LEU A 43 -12.177 8.170 1.965 1.00 0.00 N ATOM 624 CA LEU A 43 -10.874 8.572 1.445 1.00 0.00 C ATOM 625 C LEU A 43 -10.482 9.951 1.965 1.00 0.00 C ATOM 626 O LEU A 43 -9.358 10.155 2.425 1.00 0.00 O ATOM 627 CB LEU A 43 -10.893 8.578 -0.085 1.00 0.00 C ATOM 628 CG LEU A 43 -9.559 8.870 -0.771 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.482 7.919 -0.273 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.704 8.770 -2.283 1.00 0.00 C ATOM 0 H LEU A 43 -12.898 8.054 1.253 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.134 7.850 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.250 7.607 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.619 9.320 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.259 9.888 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.540 8.143 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.359 8.040 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.774 6.892 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.745 8.981 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.027 7.764 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.444 9.493 -2.626 1.00 0.00 H new ATOM 642 N CYS A 44 -11.415 10.893 1.892 1.00 0.00 N ATOM 643 CA CYS A 44 -11.168 12.253 2.357 1.00 0.00 C ATOM 644 C CYS A 44 -10.570 12.247 3.760 1.00 0.00 C ATOM 645 O CYS A 44 -9.717 13.072 4.086 1.00 0.00 O ATOM 646 CB CYS A 44 -12.465 13.062 2.345 1.00 0.00 C ATOM 647 SG CYS A 44 -12.982 13.605 0.699 1.00 0.00 S ATOM 0 H CYS A 44 -12.350 10.740 1.515 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.453 12.719 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.260 12.459 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.340 13.938 2.982 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.250 13.893 0.715 1.00 0.00 H new ATOM 653 N ALA A 45 -11.027 11.313 4.588 1.00 0.00 N ATOM 654 CA ALA A 45 -10.537 11.200 5.956 1.00 0.00 C ATOM 655 C ALA A 45 -9.041 10.905 5.982 1.00 0.00 C ATOM 656 O ALA A 45 -8.268 11.627 6.611 1.00 0.00 O ATOM 657 CB ALA A 45 -11.303 10.117 6.703 1.00 0.00 C ATOM 0 H ALA A 45 -11.735 10.624 4.335 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.701 12.156 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.927 10.043 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.363 10.370 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.168 9.161 6.197 1.00 0.00 H new ATOM 663 N ILE A 46 -8.641 9.840 5.295 1.00 0.00 N ATOM 664 CA ILE A 46 -7.237 9.452 5.239 1.00 0.00 C ATOM 665 C ILE A 46 -6.353 10.636 4.864 1.00 0.00 C ATOM 666 O ILE A 46 -5.293 10.844 5.455 1.00 0.00 O ATOM 667 CB ILE A 46 -7.008 8.313 4.228 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.752 7.051 4.670 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.521 8.032 4.075 1.00 0.00 C ATOM 670 CD1 ILE A 46 -8.006 6.074 3.544 1.00 0.00 C ATOM 0 H ILE A 46 -9.269 9.231 4.770 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.967 9.102 6.235 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.401 8.622 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.175 6.553 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.706 7.338 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.375 7.225 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.016 8.930 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.105 7.740 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.537 5.204 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.609 6.555 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.055 5.758 3.115 1.00 0.00 H new ATOM 682 N ILE A 47 -6.797 11.409 3.879 1.00 0.00 N ATOM 683 CA ILE A 47 -6.048 12.575 3.426 1.00 0.00 C ATOM 684 C ILE A 47 -6.035 13.667 4.490 1.00 0.00 C ATOM 685 O ILE A 47 -4.980 14.031 5.009 1.00 0.00 O ATOM 686 CB ILE A 47 -6.633 13.149 2.123 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.682 12.069 1.040 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.812 14.341 1.653 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.673 12.365 -0.064 1.00 0.00 C ATOM 0 H ILE A 47 -7.672 11.249 3.379 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.027 12.241 3.239 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.651 13.488 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.689 11.957 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.938 11.115 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.238 14.736 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.824 15.116 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.784 14.026 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.654 11.558 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.674 12.448 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.406 13.303 -0.551 1.00 0.00 H new ATOM 701 N HIS A 48 -7.216 14.186 4.811 1.00 0.00 N ATOM 702 CA HIS A 48 -7.342 15.237 5.815 1.00 0.00 C ATOM 703 C HIS A 48 -6.505 14.911 7.049 1.00 0.00 C ATOM 704 O HIS A 48 -5.754 15.754 7.541 1.00 0.00 O ATOM 705 CB HIS A 48 -8.807 15.419 6.212 1.00 0.00 C ATOM 706 CG HIS A 48 -8.990 15.964 7.595 1.00 0.00 C ATOM 707 ND1 HIS A 48 -9.292 15.172 8.683 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.910 17.231 8.065 1.00 0.00 C ATOM 709 CE1 HIS A 48 -9.391 15.928 9.761 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.163 17.182 9.414 1.00 0.00 N ATOM 0 H HIS A 48 -8.099 13.896 4.391 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.973 16.167 5.382 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.287 16.090 5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.317 14.458 6.139 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -9.419 14.160 8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.688 18.116 7.487 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.620 15.580 10.758 1.00 0.00 H new ATOM 719 N ARG A 49 -6.641 13.686 7.544 1.00 0.00 N ATOM 720 CA ARG A 49 -5.899 13.251 8.721 1.00 0.00 C ATOM 721 C ARG A 49 -4.458 13.748 8.670 1.00 0.00 C ATOM 722 O ARG A 49 -4.011 14.483 9.551 1.00 0.00 O ATOM 723 CB ARG A 49 -5.921 11.725 8.829 1.00 0.00 C ATOM 724 CG ARG A 49 -5.840 11.213 10.258 1.00 0.00 C ATOM 725 CD ARG A 49 -4.416 11.264 10.788 1.00 0.00 C ATOM 726 NE ARG A 49 -4.350 10.937 12.210 1.00 0.00 N ATOM 727 CZ ARG A 49 -4.741 11.765 13.173 1.00 0.00 C ATOM 728 NH1 ARG A 49 -5.225 12.961 12.868 1.00 0.00 N ATOM 729 NH2 ARG A 49 -4.650 11.395 14.444 1.00 0.00 N ATOM 0 H ARG A 49 -7.258 12.977 7.148 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.381 13.677 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.835 11.350 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.087 11.317 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.489 11.811 10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.208 10.188 10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.795 10.566 10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.004 12.260 10.625 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.984 10.024 12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.298 13.248 11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.524 13.594 13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.280 10.475 14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.950 12.031 15.183 1.00 0.00 H new ATOM 743 N PHE A 50 -3.734 13.341 7.632 1.00 0.00 N ATOM 744 CA PHE A 50 -2.342 13.743 7.466 1.00 0.00 C ATOM 745 C PHE A 50 -2.244 15.217 7.083 1.00 0.00 C ATOM 746 O PHE A 50 -1.518 15.986 7.714 1.00 0.00 O ATOM 747 CB PHE A 50 -1.664 12.882 6.399 1.00 0.00 C ATOM 748 CG PHE A 50 -1.333 11.494 6.870 1.00 0.00 C ATOM 749 CD1 PHE A 50 -2.338 10.573 7.113 1.00 0.00 C ATOM 750 CD2 PHE A 50 -0.016 11.112 7.070 1.00 0.00 C ATOM 751 CE1 PHE A 50 -2.037 9.295 7.546 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.291 9.836 7.503 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.721 8.927 7.742 1.00 0.00 C ATOM 0 H PHE A 50 -4.088 12.733 6.893 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.832 13.598 8.418 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.317 12.816 5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.748 13.375 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.369 10.856 6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.779 11.819 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.830 8.586 7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.321 9.550 7.654 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.483 7.930 8.082 1.00 0.00 H new ATOM 763 N ARG A 51 -2.980 15.603 6.046 1.00 0.00 N ATOM 764 CA ARG A 51 -2.975 16.984 5.578 1.00 0.00 C ATOM 765 C ARG A 51 -4.392 17.550 5.541 1.00 0.00 C ATOM 766 O ARG A 51 -5.095 17.465 4.534 1.00 0.00 O ATOM 767 CB ARG A 51 -2.343 17.071 4.188 1.00 0.00 C ATOM 768 CG ARG A 51 -0.824 17.065 4.208 1.00 0.00 C ATOM 769 CD ARG A 51 -0.268 18.398 4.685 1.00 0.00 C ATOM 770 NE ARG A 51 1.167 18.329 4.950 1.00 0.00 N ATOM 771 CZ ARG A 51 1.820 19.215 5.693 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.170 20.232 6.242 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.126 19.085 5.889 1.00 0.00 N ATOM 0 H ARG A 51 -3.587 14.979 5.514 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.384 17.576 6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.693 16.233 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.688 17.981 3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.471 16.267 4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.447 16.849 3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.461 19.162 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.790 18.705 5.591 1.00 0.00 H new ATOM 0 HE ARG A 51 1.696 17.558 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.166 20.335 6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.674 20.911 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.630 18.304 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.626 19.766 6.460 1.00 0.00 H new ATOM 787 N PRO A 52 -4.822 18.143 6.665 1.00 0.00 N ATOM 788 CA PRO A 52 -6.157 18.735 6.786 1.00 0.00 C ATOM 789 C PRO A 52 -6.310 19.998 5.946 1.00 0.00 C ATOM 790 O PRO A 52 -7.426 20.435 5.664 1.00 0.00 O ATOM 791 CB PRO A 52 -6.263 19.068 8.277 1.00 0.00 C ATOM 792 CG PRO A 52 -4.854 19.237 8.728 1.00 0.00 C ATOM 793 CD PRO A 52 -4.037 18.281 7.903 1.00 0.00 C ATOM 0 HA PRO A 52 -6.936 18.061 6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.842 19.977 8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.762 18.270 8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.518 20.264 8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.756 19.017 9.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.039 18.672 7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.909 17.323 8.407 1.00 0.00 H new ATOM 801 N GLU A 53 -5.183 20.579 5.548 1.00 0.00 N ATOM 802 CA GLU A 53 -5.193 21.792 4.740 1.00 0.00 C ATOM 803 C GLU A 53 -5.818 21.530 3.372 1.00 0.00 C ATOM 804 O GLU A 53 -6.557 22.362 2.844 1.00 0.00 O ATOM 805 CB GLU A 53 -3.771 22.330 4.568 1.00 0.00 C ATOM 806 CG GLU A 53 -3.667 23.469 3.568 1.00 0.00 C ATOM 807 CD GLU A 53 -3.873 24.828 4.208 1.00 0.00 C ATOM 808 OE1 GLU A 53 -4.602 24.902 5.219 1.00 0.00 O ATOM 809 OE2 GLU A 53 -3.306 25.817 3.697 1.00 0.00 O ATOM 0 H GLU A 53 -4.251 20.229 5.772 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.795 22.538 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.402 22.672 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.120 21.516 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.687 23.441 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.408 23.326 2.782 1.00 0.00 H new ATOM 816 N LEU A 54 -5.516 20.367 2.804 1.00 0.00 N ATOM 817 CA LEU A 54 -6.047 19.994 1.498 1.00 0.00 C ATOM 818 C LEU A 54 -7.524 19.627 1.595 1.00 0.00 C ATOM 819 O LEU A 54 -8.331 20.034 0.759 1.00 0.00 O ATOM 820 CB LEU A 54 -5.255 18.819 0.920 1.00 0.00 C ATOM 821 CG LEU A 54 -3.732 18.949 0.968 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.072 17.678 0.456 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.273 20.153 0.159 1.00 0.00 C ATOM 0 H LEU A 54 -4.907 19.667 3.227 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.948 20.853 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.540 17.915 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.555 18.680 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.432 19.098 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.988 17.789 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.375 16.835 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.379 17.498 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.187 20.229 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.585 20.034 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.718 21.059 0.570 1.00 0.00 H new ATOM 835 N ILE A 55 -7.871 18.857 2.621 1.00 0.00 N ATOM 836 CA ILE A 55 -9.251 18.438 2.829 1.00 0.00 C ATOM 837 C ILE A 55 -9.679 18.653 4.277 1.00 0.00 C ATOM 838 O ILE A 55 -8.937 18.340 5.206 1.00 0.00 O ATOM 839 CB ILE A 55 -9.452 16.956 2.461 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.006 16.701 1.019 1.00 0.00 C ATOM 841 CG2 ILE A 55 -10.907 16.555 2.650 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.035 15.240 0.627 1.00 0.00 C ATOM 0 H ILE A 55 -7.215 18.511 3.321 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.869 19.053 2.175 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.839 16.346 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.650 17.263 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.994 17.084 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.032 15.505 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.193 16.704 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.540 17.169 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.707 15.134 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.369 14.675 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.051 14.857 0.726 1.00 0.00 H new ATOM 854 N ASN A 56 -10.881 19.188 4.460 1.00 0.00 N ATOM 855 CA ASN A 56 -11.409 19.444 5.795 1.00 0.00 C ATOM 856 C ASN A 56 -12.713 18.684 6.020 1.00 0.00 C ATOM 857 O ASN A 56 -13.792 19.166 5.677 1.00 0.00 O ATOM 858 CB ASN A 56 -11.639 20.943 5.997 1.00 0.00 C ATOM 859 CG ASN A 56 -12.339 21.250 7.306 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.669 20.345 8.073 1.00 0.00 O ATOM 861 ND2 ASN A 56 -12.570 22.531 7.568 1.00 0.00 N ATOM 0 H ASN A 56 -11.508 19.453 3.701 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.675 19.094 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.681 21.461 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.234 21.331 5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.038 22.798 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.279 23.248 6.903 1.00 0.00 H new ATOM 868 N PHE A 57 -12.604 17.492 6.598 1.00 0.00 N ATOM 869 CA PHE A 57 -13.774 16.664 6.868 1.00 0.00 C ATOM 870 C PHE A 57 -14.911 17.502 7.447 1.00 0.00 C ATOM 871 O PHE A 57 -15.992 17.588 6.864 1.00 0.00 O ATOM 872 CB PHE A 57 -13.413 15.535 7.836 1.00 0.00 C ATOM 873 CG PHE A 57 -14.378 14.384 7.800 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.601 14.468 8.446 1.00 0.00 C ATOM 875 CD2 PHE A 57 -14.061 13.219 7.121 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.490 13.410 8.415 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.947 12.158 7.086 1.00 0.00 C ATOM 878 CZ PHE A 57 -16.163 12.254 7.734 1.00 0.00 C ATOM 0 H PHE A 57 -11.718 17.078 6.888 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.108 16.232 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.414 15.169 7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.374 15.934 8.849 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.862 15.370 8.980 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.111 13.138 6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.440 13.487 8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.688 11.255 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.857 11.427 7.708 1.00 0.00 H new ATOM 888 N ASP A 58 -14.658 18.116 8.597 1.00 0.00 N ATOM 889 CA ASP A 58 -15.659 18.948 9.256 1.00 0.00 C ATOM 890 C ASP A 58 -16.438 19.772 8.236 1.00 0.00 C ATOM 891 O ASP A 58 -17.639 19.994 8.389 1.00 0.00 O ATOM 892 CB ASP A 58 -14.994 19.873 10.276 1.00 0.00 C ATOM 893 CG ASP A 58 -15.982 20.814 10.935 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.259 21.886 10.356 1.00 0.00 O ATOM 895 OD2 ASP A 58 -16.481 20.479 12.030 1.00 0.00 O ATOM 0 H ASP A 58 -13.769 18.054 9.093 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.357 18.291 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.503 19.272 11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.217 20.455 9.781 1.00 0.00 H new ATOM 900 N SER A 59 -15.746 20.223 7.194 1.00 0.00 N ATOM 901 CA SER A 59 -16.372 21.026 6.151 1.00 0.00 C ATOM 902 C SER A 59 -17.073 20.138 5.128 1.00 0.00 C ATOM 903 O SER A 59 -18.162 20.462 4.650 1.00 0.00 O ATOM 904 CB SER A 59 -15.326 21.898 5.453 1.00 0.00 C ATOM 905 OG SER A 59 -15.029 23.052 6.221 1.00 0.00 O ATOM 0 H SER A 59 -14.752 20.046 7.050 1.00 0.00 H new ATOM 0 HA SER A 59 -17.117 21.668 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.416 21.321 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.693 22.196 4.471 1.00 0.00 H new ATOM 0 HG SER A 59 -14.357 23.592 5.754 1.00 0.00 H new ATOM 911 N LEU A 60 -16.443 19.017 4.797 1.00 0.00 N ATOM 912 CA LEU A 60 -17.006 18.080 3.831 1.00 0.00 C ATOM 913 C LEU A 60 -18.397 17.624 4.260 1.00 0.00 C ATOM 914 O LEU A 60 -18.539 16.800 5.162 1.00 0.00 O ATOM 915 CB LEU A 60 -16.086 16.867 3.671 1.00 0.00 C ATOM 916 CG LEU A 60 -14.677 17.157 3.153 1.00 0.00 C ATOM 917 CD1 LEU A 60 -13.811 15.910 3.235 1.00 0.00 C ATOM 918 CD2 LEU A 60 -14.732 17.678 1.724 1.00 0.00 C ATOM 0 H LEU A 60 -15.542 18.734 5.183 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.092 18.593 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.001 16.371 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.563 16.161 2.991 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.230 17.926 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.812 16.136 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.745 15.580 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.254 15.119 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.721 17.879 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.198 16.931 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.316 18.598 1.694 1.00 0.00 H new ATOM 930 N ASN A 61 -19.419 18.165 3.606 1.00 0.00 N ATOM 931 CA ASN A 61 -20.799 17.813 3.919 1.00 0.00 C ATOM 932 C ASN A 61 -21.050 16.328 3.677 1.00 0.00 C ATOM 933 O ASN A 61 -21.100 15.875 2.534 1.00 0.00 O ATOM 934 CB ASN A 61 -21.765 18.648 3.076 1.00 0.00 C ATOM 935 CG ASN A 61 -23.211 18.238 3.276 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.037 18.375 2.373 1.00 0.00 O ATOM 937 ND2 ASN A 61 -23.523 17.733 4.464 1.00 0.00 N ATOM 0 H ASN A 61 -19.318 18.849 2.856 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.971 18.026 4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.650 19.701 3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.504 18.547 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -24.481 17.440 4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -22.805 17.638 5.182 1.00 0.00 H new ATOM 944 N GLU A 62 -21.207 15.575 4.762 1.00 0.00 N ATOM 945 CA GLU A 62 -21.453 14.141 4.667 1.00 0.00 C ATOM 946 C GLU A 62 -22.563 13.844 3.663 1.00 0.00 C ATOM 947 O GLU A 62 -22.575 12.789 3.029 1.00 0.00 O ATOM 948 CB GLU A 62 -21.825 13.573 6.038 1.00 0.00 C ATOM 949 CG GLU A 62 -23.018 14.262 6.679 1.00 0.00 C ATOM 950 CD GLU A 62 -23.707 13.392 7.713 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.312 12.372 7.321 1.00 0.00 O ATOM 952 OE2 GLU A 62 -23.642 13.732 8.912 1.00 0.00 O ATOM 0 H GLU A 62 -21.168 15.934 5.716 1.00 0.00 H new ATOM 0 HA GLU A 62 -20.536 13.664 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.042 12.510 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.966 13.659 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -22.688 15.188 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.734 14.536 5.904 1.00 0.00 H new ATOM 959 N ASP A 63 -23.494 14.782 3.525 1.00 0.00 N ATOM 960 CA ASP A 63 -24.608 14.623 2.598 1.00 0.00 C ATOM 961 C ASP A 63 -24.147 14.810 1.156 1.00 0.00 C ATOM 962 O ASP A 63 -24.690 14.198 0.236 1.00 0.00 O ATOM 963 CB ASP A 63 -25.719 15.622 2.926 1.00 0.00 C ATOM 964 CG ASP A 63 -26.813 15.637 1.876 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.157 14.552 1.362 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.325 16.733 1.570 1.00 0.00 O ATOM 0 H ASP A 63 -23.499 15.660 4.044 1.00 0.00 H new ATOM 0 HA ASP A 63 -24.997 13.611 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.153 15.374 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.291 16.621 3.015 1.00 0.00 H new ATOM 971 N ASP A 64 -23.145 15.661 0.967 1.00 0.00 N ATOM 972 CA ASP A 64 -22.610 15.930 -0.363 1.00 0.00 C ATOM 973 C ASP A 64 -21.654 14.824 -0.798 1.00 0.00 C ATOM 974 O ASP A 64 -20.525 15.092 -1.207 1.00 0.00 O ATOM 975 CB ASP A 64 -21.892 17.280 -0.384 1.00 0.00 C ATOM 976 CG ASP A 64 -22.854 18.449 -0.304 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.062 18.211 -0.089 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.400 19.602 -0.455 1.00 0.00 O ATOM 0 H ASP A 64 -22.686 16.177 1.718 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.444 15.961 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.194 17.330 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.302 17.360 -1.297 1.00 0.00 H new ATOM 983 N ALA A 65 -22.114 13.581 -0.705 1.00 0.00 N ATOM 984 CA ALA A 65 -21.299 12.435 -1.090 1.00 0.00 C ATOM 985 C ALA A 65 -20.674 12.642 -2.465 1.00 0.00 C ATOM 986 O ALA A 65 -19.451 12.640 -2.609 1.00 0.00 O ATOM 987 CB ALA A 65 -22.136 11.164 -1.076 1.00 0.00 C ATOM 0 H ALA A 65 -23.046 13.342 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.492 12.335 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.515 10.316 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.531 10.999 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.963 11.265 -1.779 1.00 0.00 H new ATOM 993 N VAL A 66 -21.520 12.821 -3.475 1.00 0.00 N ATOM 994 CA VAL A 66 -21.050 13.031 -4.839 1.00 0.00 C ATOM 995 C VAL A 66 -19.823 13.936 -4.864 1.00 0.00 C ATOM 996 O VAL A 66 -18.777 13.565 -5.395 1.00 0.00 O ATOM 997 CB VAL A 66 -22.149 13.649 -5.723 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.622 13.914 -7.124 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.370 12.743 -5.765 1.00 0.00 C ATOM 0 H VAL A 66 -22.535 12.825 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.784 12.052 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.448 14.603 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.413 14.351 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.781 14.605 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.294 12.976 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -24.137 13.195 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -23.089 11.773 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.760 12.611 -4.756 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.960 15.126 -4.286 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.862 16.084 -4.243 1.00 0.00 C ATOM 1011 C GLU A 67 -17.660 15.501 -3.507 1.00 0.00 C ATOM 1012 O GLU A 67 -16.537 15.532 -4.009 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.312 17.378 -3.562 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.105 18.302 -4.472 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.110 19.738 -3.985 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.014 20.319 -3.838 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -21.210 20.280 -3.752 1.00 0.00 O ATOM 0 H GLU A 67 -20.820 15.449 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.566 16.305 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.920 17.128 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.434 17.909 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.684 18.265 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.132 17.943 -4.543 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.904 14.971 -2.313 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.841 14.381 -1.506 1.00 0.00 C ATOM 1026 C ASN A 68 -15.905 13.542 -2.370 1.00 0.00 C ATOM 1027 O ASN A 68 -14.693 13.756 -2.377 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.437 13.518 -0.392 1.00 0.00 C ATOM 1029 CG ASN A 68 -17.684 14.305 0.880 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -16.824 14.372 1.758 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -18.864 14.905 0.985 1.00 0.00 N ATOM 0 H ASN A 68 -18.828 14.938 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.265 15.191 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.376 13.084 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.762 12.689 -0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.087 15.449 1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.547 14.822 0.232 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.475 12.587 -3.097 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.692 11.716 -3.964 1.00 0.00 C ATOM 1040 C ASN A 69 -14.907 12.530 -4.988 1.00 0.00 C ATOM 1041 O ASN A 69 -13.678 12.577 -4.947 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.606 10.719 -4.681 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.184 9.683 -3.737 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.472 9.114 -2.910 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.483 9.433 -3.858 1.00 0.00 N ATOM 0 H ASN A 69 -17.477 12.397 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.984 11.168 -3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.419 11.259 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.044 10.216 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.929 8.745 -3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.035 9.929 -4.558 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.626 13.171 -5.904 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.996 13.983 -6.938 1.00 0.00 C ATOM 1054 C GLN A 70 -13.837 14.791 -6.365 1.00 0.00 C ATOM 1055 O GLN A 70 -12.777 14.901 -6.982 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.023 14.922 -7.574 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.544 15.561 -8.868 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.877 14.727 -10.089 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.964 14.842 -10.656 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -14.941 13.880 -10.501 1.00 0.00 N ATOM 0 H GLN A 70 -16.645 13.144 -5.951 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.604 13.313 -7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.939 14.365 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.274 15.708 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.997 16.547 -8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.465 15.710 -8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.054 13.817 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.109 13.292 -11.317 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.045 15.357 -5.181 1.00 0.00 N ATOM 1070 CA LEU A 71 -13.017 16.156 -4.523 1.00 0.00 C ATOM 1071 C LEU A 71 -11.738 15.347 -4.331 1.00 0.00 C ATOM 1072 O LEU A 71 -10.703 15.656 -4.919 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.523 16.660 -3.170 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.533 17.487 -2.349 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.252 18.816 -3.032 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.064 17.710 -0.941 1.00 0.00 C ATOM 0 H LEU A 71 -14.916 15.277 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.792 17.010 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.416 17.262 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.828 15.799 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.597 16.933 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.546 19.391 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.828 18.635 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.181 19.376 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.347 18.300 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.014 18.242 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.212 16.748 -0.451 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.819 14.309 -3.505 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.670 13.453 -3.239 1.00 0.00 C ATOM 1090 C ALA A 72 -9.977 13.047 -4.535 1.00 0.00 C ATOM 1091 O ALA A 72 -8.748 13.047 -4.620 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.100 12.220 -2.459 1.00 0.00 C ATOM 0 H ALA A 72 -12.669 14.041 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.958 14.019 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.232 11.590 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.543 12.525 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.834 11.660 -3.039 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.771 12.700 -5.542 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.233 12.289 -6.834 1.00 0.00 C ATOM 1100 C PHE A 73 -9.459 13.429 -7.488 1.00 0.00 C ATOM 1101 O PHE A 73 -8.309 13.259 -7.896 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.363 11.829 -7.758 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.040 10.570 -7.297 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.295 9.501 -6.823 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.420 10.454 -7.337 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -11.915 8.341 -6.398 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.045 9.297 -6.913 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.291 8.239 -6.444 1.00 0.00 C ATOM 0 H PHE A 73 -11.790 12.695 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.549 11.457 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.105 12.624 -7.835 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.961 11.670 -8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.218 9.576 -6.785 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -14.014 11.278 -7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.324 7.515 -6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.122 9.220 -6.948 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.777 7.333 -6.114 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.096 14.590 -7.584 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.468 15.760 -8.188 1.00 0.00 C ATOM 1120 C ASP A 74 -8.174 16.116 -7.464 1.00 0.00 C ATOM 1121 O ASP A 74 -7.143 16.356 -8.093 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.427 16.951 -8.161 1.00 0.00 C ATOM 1123 CG ASP A 74 -10.103 17.979 -9.228 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -10.375 17.708 -10.416 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.578 19.055 -8.873 1.00 0.00 O ATOM 0 H ASP A 74 -11.047 14.747 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.229 15.520 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.448 16.595 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.386 17.424 -7.180 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.234 16.150 -6.136 1.00 0.00 N ATOM 1131 CA VAL A 75 -7.067 16.477 -5.326 1.00 0.00 C ATOM 1132 C VAL A 75 -5.933 15.488 -5.571 1.00 0.00 C ATOM 1133 O VAL A 75 -4.776 15.879 -5.718 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.411 16.486 -3.824 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.149 16.633 -2.988 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.401 17.597 -3.511 1.00 0.00 C ATOM 0 H VAL A 75 -9.079 15.955 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.745 17.475 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.877 15.534 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.412 16.637 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.478 15.798 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.651 17.569 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.633 17.589 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.965 18.559 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.316 17.441 -4.083 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.274 14.204 -5.613 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.285 13.158 -5.843 1.00 0.00 C ATOM 1148 C ALA A 76 -4.790 13.178 -7.285 1.00 0.00 C ATOM 1149 O ALA A 76 -3.637 12.847 -7.559 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.870 11.795 -5.502 1.00 0.00 C ATOM 0 H ALA A 76 -7.228 13.863 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.432 13.349 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.121 11.023 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.168 11.779 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.741 11.606 -6.130 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.670 13.567 -8.203 1.00 0.00 N ATOM 1157 CA GLU A 77 -5.320 13.628 -9.617 1.00 0.00 C ATOM 1158 C GLU A 77 -4.603 14.935 -9.945 1.00 0.00 C ATOM 1159 O GLU A 77 -4.025 15.085 -11.021 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.576 13.493 -10.482 1.00 0.00 C ATOM 1161 CG GLU A 77 -6.284 13.105 -11.922 1.00 0.00 C ATOM 1162 CD GLU A 77 -5.966 14.303 -12.795 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -6.711 15.304 -12.725 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -4.972 14.240 -13.548 1.00 0.00 O ATOM 0 H GLU A 77 -6.629 13.844 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.646 12.799 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.233 12.745 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.117 14.439 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.444 12.411 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.144 12.578 -12.334 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.644 15.877 -9.008 1.00 0.00 N ATOM 1172 CA ARG A 78 -4.000 17.171 -9.197 1.00 0.00 C ATOM 1173 C ARG A 78 -2.674 17.233 -8.445 1.00 0.00 C ATOM 1174 O ARG A 78 -1.694 17.786 -8.942 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.921 18.297 -8.722 1.00 0.00 C ATOM 1176 CG ARG A 78 -4.272 19.671 -8.760 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.242 20.234 -10.172 1.00 0.00 C ATOM 1178 NE ARG A 78 -3.360 21.393 -10.281 1.00 0.00 N ATOM 1179 CZ ARG A 78 -3.419 22.271 -11.276 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.314 22.123 -12.243 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -2.583 23.300 -11.304 1.00 0.00 N ATOM 0 H ARG A 78 -5.116 15.768 -8.111 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.801 17.298 -10.261 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.816 18.310 -9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.244 18.085 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.819 20.351 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.256 19.605 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.910 19.460 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.251 20.517 -10.471 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.660 21.536 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.959 21.333 -12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.357 22.799 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.894 23.418 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.629 23.974 -12.068 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.652 16.661 -7.245 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.447 16.653 -6.425 1.00 0.00 C ATOM 1197 C GLU A 79 -0.595 15.422 -6.721 1.00 0.00 C ATOM 1198 O GLU A 79 0.585 15.535 -7.053 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.813 16.688 -4.940 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.326 18.039 -4.471 1.00 0.00 C ATOM 1201 CD GLU A 79 -2.461 18.120 -2.962 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -1.454 18.432 -2.293 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -3.573 17.871 -2.451 1.00 0.00 O ATOM 0 H GLU A 79 -3.455 16.197 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.867 17.543 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.573 15.932 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.936 16.418 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.647 18.820 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.295 18.235 -4.930 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.202 14.246 -6.599 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.501 12.993 -6.852 1.00 0.00 C ATOM 1212 C PHE A 80 -0.473 12.677 -8.345 1.00 0.00 C ATOM 1213 O PHE A 80 0.408 11.965 -8.823 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.168 11.847 -6.089 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.434 12.164 -4.645 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.419 12.631 -3.825 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.700 11.995 -4.107 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.662 12.922 -2.496 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.949 12.285 -2.779 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.928 12.750 -1.973 1.00 0.00 C ATOM 0 H PHE A 80 -2.179 14.135 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 80 0.526 13.103 -6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.110 11.596 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.533 10.963 -6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.573 12.769 -4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.502 11.632 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.138 13.284 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.940 12.148 -2.372 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.120 12.979 -0.935 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.447 13.213 -9.075 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.517 12.976 -10.505 1.00 0.00 C ATOM 1232 C GLY A 81 -2.065 11.603 -10.840 1.00 0.00 C ATOM 1233 O GLY A 81 -1.806 11.071 -11.919 1.00 0.00 O ATOM 0 H GLY A 81 -2.188 13.806 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.147 13.737 -10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.522 13.082 -10.937 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.822 11.028 -9.911 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.407 9.708 -10.114 1.00 0.00 C ATOM 1239 C ILE A 82 -4.815 9.813 -10.689 1.00 0.00 C ATOM 1240 O ILE A 82 -5.709 10.423 -10.102 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.461 8.909 -8.798 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.078 8.866 -8.145 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.974 7.500 -9.055 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.087 8.286 -6.748 1.00 0.00 C ATOM 0 H ILE A 82 -3.044 11.455 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.766 9.184 -10.823 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.150 9.407 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.408 8.276 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.671 9.877 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.007 6.948 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.976 7.550 -9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.308 6.992 -9.752 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.073 8.287 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.731 8.889 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.463 7.264 -6.781 1.00 0.00 H new ATOM 1256 N PRO A 83 -5.020 9.203 -11.866 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.318 9.212 -12.547 1.00 0.00 C ATOM 1258 C PRO A 83 -7.360 8.370 -11.817 1.00 0.00 C ATOM 1259 O PRO A 83 -7.131 7.208 -11.481 1.00 0.00 O ATOM 1260 CB PRO A 83 -6.005 8.605 -13.917 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.798 7.761 -13.690 1.00 0.00 C ATOM 1262 CD PRO A 83 -4.000 8.457 -12.623 1.00 0.00 C ATOM 0 HA PRO A 83 -6.745 10.214 -12.597 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.840 8.010 -14.287 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.812 9.380 -14.659 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.078 6.756 -13.374 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.217 7.657 -14.606 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.470 7.746 -11.990 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.251 9.123 -13.051 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.535 8.968 -11.566 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.636 8.291 -10.875 1.00 0.00 C ATOM 1272 C PRO A 84 -10.265 7.192 -11.725 1.00 0.00 C ATOM 1273 O PRO A 84 -10.531 7.387 -12.912 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.643 9.416 -10.625 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.358 10.422 -11.686 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.878 10.351 -11.938 1.00 0.00 C ATOM 0 HA PRO A 84 -9.301 7.791 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.668 9.051 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.520 9.844 -9.630 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.919 10.201 -12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.652 11.421 -11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.637 10.558 -12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.332 11.077 -11.335 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.503 6.038 -11.111 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.103 4.908 -11.811 1.00 0.00 C ATOM 1286 C VAL A 85 -12.572 5.172 -12.121 1.00 0.00 C ATOM 1287 O VAL A 85 -13.072 4.794 -13.181 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.988 3.612 -10.987 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.536 3.171 -10.885 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.594 3.804 -9.605 1.00 0.00 C ATOM 0 H VAL A 85 -10.289 5.860 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.554 4.786 -12.744 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.546 2.827 -11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.475 2.254 -10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.139 2.991 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.952 3.952 -10.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.504 2.878 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.066 4.603 -9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.647 4.069 -9.703 1.00 0.00 H new ATOM 1300 N THR A 86 -13.260 5.824 -11.189 1.00 0.00 N ATOM 1301 CA THR A 86 -14.673 6.138 -11.362 1.00 0.00 C ATOM 1302 C THR A 86 -14.947 7.611 -11.079 1.00 0.00 C ATOM 1303 O THR A 86 -14.148 8.290 -10.434 1.00 0.00 O ATOM 1304 CB THR A 86 -15.557 5.277 -10.439 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.937 5.597 -10.646 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.192 5.498 -8.979 1.00 0.00 C ATOM 0 H THR A 86 -12.862 6.145 -10.307 1.00 0.00 H new ATOM 0 HA THR A 86 -14.921 5.917 -12.400 1.00 0.00 H new ATOM 0 HB THR A 86 -15.387 4.228 -10.684 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.493 5.045 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.829 4.880 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.149 5.225 -8.819 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.336 6.548 -8.723 1.00 0.00 H new ATOM 1314 N THR A 87 -16.084 8.100 -11.566 1.00 0.00 N ATOM 1315 CA THR A 87 -16.463 9.493 -11.366 1.00 0.00 C ATOM 1316 C THR A 87 -17.257 9.667 -10.076 1.00 0.00 C ATOM 1317 O THR A 87 -18.145 8.873 -9.771 1.00 0.00 O ATOM 1318 CB THR A 87 -17.301 10.021 -12.546 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.517 9.273 -12.657 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.521 9.928 -13.848 1.00 0.00 C ATOM 0 H THR A 87 -16.757 7.552 -12.101 1.00 0.00 H new ATOM 0 HA THR A 87 -15.538 10.066 -11.300 1.00 0.00 H new ATOM 0 HB THR A 87 -17.536 11.068 -12.356 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.045 9.616 -13.408 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.133 10.306 -14.667 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.611 10.523 -13.770 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.259 8.888 -14.042 1.00 0.00 H new ATOM 1328 N GLY A 88 -16.929 10.712 -9.322 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.622 10.972 -8.073 1.00 0.00 C ATOM 1330 C GLY A 88 -19.091 10.604 -8.138 1.00 0.00 C ATOM 1331 O GLY A 88 -19.606 9.915 -7.257 1.00 0.00 O ATOM 0 H GLY A 88 -16.196 11.383 -9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.144 10.408 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.526 12.028 -7.821 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.769 11.067 -9.183 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.189 10.784 -9.360 1.00 0.00 C ATOM 1337 C LYS A 89 -21.453 9.282 -9.324 1.00 0.00 C ATOM 1338 O LYS A 89 -22.252 8.803 -8.520 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.685 11.369 -10.685 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.850 12.878 -10.659 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.741 13.361 -11.792 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.138 14.817 -11.607 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.032 15.292 -12.699 1.00 0.00 N ATOM 0 H LYS A 89 -19.358 11.640 -9.920 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.732 11.250 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.984 11.102 -11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.641 10.912 -10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.278 13.182 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.872 13.353 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.220 13.243 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.637 12.742 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.641 14.937 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.242 15.437 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.280 16.289 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.543 15.202 -13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.899 14.718 -12.712 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.776 8.546 -10.199 1.00 0.00 N ATOM 1358 CA GLU A 90 -20.938 7.098 -10.266 1.00 0.00 C ATOM 1359 C GLU A 90 -20.575 6.448 -8.934 1.00 0.00 C ATOM 1360 O GLU A 90 -21.267 5.547 -8.462 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.070 6.516 -11.384 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.356 5.053 -11.677 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.552 4.863 -12.589 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.516 5.650 -12.474 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -21.525 3.929 -13.418 1.00 0.00 O ATOM 0 H GLU A 90 -20.110 8.928 -10.871 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.985 6.885 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.225 7.097 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.020 6.625 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.478 4.600 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.532 4.526 -10.739 1.00 0.00 H new ATOM 1372 N MET A 91 -19.483 6.912 -8.334 1.00 0.00 N ATOM 1373 CA MET A 91 -19.028 6.377 -7.057 1.00 0.00 C ATOM 1374 C MET A 91 -20.186 6.264 -6.070 1.00 0.00 C ATOM 1375 O MET A 91 -20.334 5.253 -5.385 1.00 0.00 O ATOM 1376 CB MET A 91 -17.928 7.264 -6.471 1.00 0.00 C ATOM 1377 CG MET A 91 -17.195 6.629 -5.300 1.00 0.00 C ATOM 1378 SD MET A 91 -16.378 5.085 -5.746 1.00 0.00 S ATOM 1379 CE MET A 91 -17.269 3.921 -4.717 1.00 0.00 C ATOM 0 H MET A 91 -18.898 7.657 -8.712 1.00 0.00 H new ATOM 0 HA MET A 91 -18.626 5.379 -7.233 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.208 7.501 -7.254 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.368 8.207 -6.146 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.454 7.330 -4.917 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.903 6.441 -4.492 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.642 3.625 -3.876 1.00 0.00 H new ATOM 0 HE2 MET A 91 -18.180 4.389 -4.343 1.00 0.00 H new ATOM 0 HE3 MET A 91 -17.528 3.040 -5.304 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.004 7.310 -6.004 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.150 7.327 -5.103 1.00 0.00 C ATOM 1391 C ALA A 92 -23.365 6.669 -5.747 1.00 0.00 C ATOM 1392 O ALA A 92 -24.142 5.988 -5.078 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.476 8.755 -4.691 1.00 0.00 C ATOM 0 H ALA A 92 -20.894 8.156 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.890 6.754 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.334 8.753 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.617 9.192 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.711 9.345 -5.577 1.00 0.00 H new ATOM 1399 N SER A 93 -23.524 6.879 -7.050 1.00 0.00 N ATOM 1400 CA SER A 93 -24.649 6.310 -7.784 1.00 0.00 C ATOM 1401 C SER A 93 -24.638 4.786 -7.699 1.00 0.00 C ATOM 1402 O SER A 93 -25.573 4.176 -7.183 1.00 0.00 O ATOM 1403 CB SER A 93 -24.604 6.750 -9.249 1.00 0.00 C ATOM 1404 OG SER A 93 -25.907 6.808 -9.804 1.00 0.00 O ATOM 0 H SER A 93 -22.889 7.439 -7.619 1.00 0.00 H new ATOM 0 HA SER A 93 -25.570 6.676 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.130 7.728 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 93 -23.992 6.054 -9.822 1.00 0.00 H new ATOM 0 HG SER A 93 -25.852 7.093 -10.740 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.572 4.179 -8.210 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.437 2.728 -8.191 1.00 0.00 C ATOM 1412 C ALA A 94 -23.688 2.172 -6.793 1.00 0.00 C ATOM 1413 O ALA A 94 -22.882 2.369 -5.884 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.057 2.319 -8.684 1.00 0.00 C ATOM 0 H ALA A 94 -22.789 4.670 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.188 2.309 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.971 1.233 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -21.915 2.676 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.296 2.755 -8.037 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.809 1.478 -6.629 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.165 0.895 -5.341 1.00 0.00 C ATOM 1422 C GLN A 95 -24.053 -0.014 -4.829 1.00 0.00 C ATOM 1423 O GLN A 95 -23.713 0.012 -3.647 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.471 0.107 -5.458 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.402 -1.041 -6.451 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.731 -1.754 -6.613 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.493 -1.896 -5.656 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.016 -2.205 -7.829 1.00 0.00 N ATOM 0 H GLN A 95 -25.486 1.306 -7.372 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.302 1.708 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.737 -0.287 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -27.270 0.786 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.078 -0.660 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.648 -1.756 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.355 -2.065 -8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.896 -2.691 -7.999 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.491 -0.817 -5.727 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.418 -1.735 -5.364 1.00 0.00 C ATOM 1439 C GLU A 96 -21.279 -1.670 -6.378 1.00 0.00 C ATOM 1440 O GLU A 96 -21.310 -2.315 -7.426 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.951 -3.167 -5.271 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.117 -4.069 -4.377 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.571 -5.515 -4.422 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.265 -6.202 -5.420 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -23.232 -5.961 -3.461 1.00 0.00 O ATOM 0 H GLU A 96 -23.761 -0.850 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.032 -1.434 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.974 -3.142 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.990 -3.597 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.072 -4.010 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.171 -3.707 -3.350 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.250 -0.870 -6.061 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.082 -0.700 -6.930 1.00 0.00 C ATOM 1454 C PRO A 97 -18.217 -1.954 -6.990 1.00 0.00 C ATOM 1455 O PRO A 97 -18.437 -2.908 -6.243 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.314 0.449 -6.272 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.721 0.404 -4.840 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.147 -0.071 -4.828 1.00 0.00 C ATOM 0 HA PRO A 97 -19.368 -0.503 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.237 0.320 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.568 1.407 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.080 -0.272 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.634 1.388 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.364 -0.668 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.849 0.763 -4.830 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.233 -1.946 -7.882 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.333 -3.083 -8.038 1.00 0.00 C ATOM 1468 C ASP A 98 -15.310 -3.126 -6.907 1.00 0.00 C ATOM 1469 O ASP A 98 -14.648 -2.129 -6.616 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.616 -3.012 -9.388 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.582 -3.022 -10.557 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.040 -4.120 -10.938 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.878 -1.933 -11.092 1.00 0.00 O ATOM 0 H ASP A 98 -17.038 -1.165 -8.508 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.929 -3.995 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.011 -2.106 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.932 -3.856 -9.478 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.187 -4.286 -6.272 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.245 -4.460 -5.172 1.00 0.00 C ATOM 1480 C LYS A 99 -12.806 -4.410 -5.675 1.00 0.00 C ATOM 1481 O LYS A 99 -11.935 -3.818 -5.037 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.501 -5.790 -4.460 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.191 -7.007 -5.315 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.236 -8.288 -4.498 1.00 0.00 C ATOM 1485 CE LYS A 99 -15.642 -8.863 -4.440 1.00 0.00 C ATOM 1486 NZ LYS A 99 -15.722 -10.045 -3.538 1.00 0.00 N ATOM 0 H LYS A 99 -15.728 -5.120 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.394 -3.642 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.897 -5.830 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.545 -5.831 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.909 -7.071 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.204 -6.895 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.559 -9.023 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.881 -8.088 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.334 -8.095 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.959 -9.150 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.697 -10.407 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.081 -10.788 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.445 -9.766 -2.575 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.563 -5.032 -6.824 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.229 -5.057 -7.413 1.00 0.00 C ATOM 1502 C LEU A 100 -10.746 -3.644 -7.726 1.00 0.00 C ATOM 1503 O LEU A 100 -9.720 -3.200 -7.210 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.229 -5.902 -8.689 1.00 0.00 C ATOM 1505 CG LEU A 100 -10.914 -7.387 -8.509 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.438 -7.587 -8.203 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.775 -7.986 -7.407 1.00 0.00 C ATOM 0 H LEU A 100 -13.272 -5.526 -7.366 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.547 -5.503 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.208 -5.813 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.502 -5.478 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.143 -7.902 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.233 -8.650 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.840 -7.196 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.182 -7.058 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.537 -9.044 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.578 -7.467 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.828 -7.877 -7.668 1.00 0.00 H new ATOM 1519 N SER A 101 -11.493 -2.943 -8.573 1.00 0.00 N ATOM 1520 CA SER A 101 -11.139 -1.580 -8.955 1.00 0.00 C ATOM 1521 C SER A 101 -10.870 -0.722 -7.723 1.00 0.00 C ATOM 1522 O SER A 101 -9.966 0.112 -7.720 1.00 0.00 O ATOM 1523 CB SER A 101 -12.259 -0.956 -9.790 1.00 0.00 C ATOM 1524 OG SER A 101 -12.319 -1.539 -11.081 1.00 0.00 O ATOM 0 H SER A 101 -12.346 -3.295 -9.007 1.00 0.00 H new ATOM 0 HA SER A 101 -10.228 -1.621 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.214 -1.091 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.095 0.118 -9.880 1.00 0.00 H new ATOM 0 HG SER A 101 -13.044 -1.124 -11.594 1.00 0.00 H new ATOM 1530 N MET A 102 -11.662 -0.935 -6.677 1.00 0.00 N ATOM 1531 CA MET A 102 -11.509 -0.182 -5.437 1.00 0.00 C ATOM 1532 C MET A 102 -10.170 -0.492 -4.775 1.00 0.00 C ATOM 1533 O MET A 102 -9.445 0.415 -4.367 1.00 0.00 O ATOM 1534 CB MET A 102 -12.654 -0.505 -4.475 1.00 0.00 C ATOM 1535 CG MET A 102 -13.855 0.414 -4.629 1.00 0.00 C ATOM 1536 SD MET A 102 -13.761 1.864 -3.561 1.00 0.00 S ATOM 1537 CE MET A 102 -12.229 2.601 -4.125 1.00 0.00 C ATOM 0 H MET A 102 -12.416 -1.622 -6.663 1.00 0.00 H new ATOM 0 HA MET A 102 -11.537 0.880 -5.680 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.972 -1.535 -4.635 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.286 -0.440 -3.451 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.930 0.737 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.765 -0.142 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.138 3.608 -3.717 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.388 1.995 -3.787 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.228 2.649 -5.214 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.849 -1.777 -4.673 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.597 -2.206 -4.061 1.00 0.00 C ATOM 1549 C VAL A 103 -7.396 -1.695 -4.850 1.00 0.00 C ATOM 1550 O VAL A 103 -6.558 -0.966 -4.321 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.516 -3.741 -3.962 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.111 -4.178 -3.578 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.538 -4.264 -2.965 1.00 0.00 C ATOM 0 H VAL A 103 -10.439 -2.540 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.576 -1.783 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.747 -4.164 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.073 -5.265 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.404 -3.835 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.847 -3.747 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.467 -5.350 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.341 -3.835 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.540 -3.982 -3.289 1.00 0.00 H new ATOM 1563 N MET A 104 -7.321 -2.082 -6.119 1.00 0.00 N ATOM 1564 CA MET A 104 -6.224 -1.661 -6.982 1.00 0.00 C ATOM 1565 C MET A 104 -5.979 -0.160 -6.858 1.00 0.00 C ATOM 1566 O MET A 104 -4.834 0.289 -6.802 1.00 0.00 O ATOM 1567 CB MET A 104 -6.525 -2.021 -8.439 1.00 0.00 C ATOM 1568 CG MET A 104 -7.653 -1.204 -9.046 1.00 0.00 C ATOM 1569 SD MET A 104 -7.945 -1.604 -10.780 1.00 0.00 S ATOM 1570 CE MET A 104 -6.869 -0.421 -11.586 1.00 0.00 C ATOM 0 H MET A 104 -8.007 -2.686 -6.572 1.00 0.00 H new ATOM 0 HA MET A 104 -5.323 -2.186 -6.664 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.623 -1.878 -9.034 1.00 0.00 H new ATOM 0 HB3 MET A 104 -6.781 -3.079 -8.498 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.567 -1.376 -8.478 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.417 -0.144 -8.956 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.939 -0.543 -12.667 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.172 0.590 -11.315 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.840 -0.589 -11.267 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.061 0.609 -6.816 1.00 0.00 N ATOM 1581 CA TYR A 105 -6.963 2.060 -6.701 1.00 0.00 C ATOM 1582 C TYR A 105 -6.348 2.460 -5.364 1.00 0.00 C ATOM 1583 O TYR A 105 -5.259 3.035 -5.315 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.345 2.699 -6.851 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.306 4.206 -6.958 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.964 4.829 -8.151 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.612 5.008 -5.865 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.927 6.207 -8.253 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.579 6.386 -5.958 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.235 6.980 -7.154 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.200 8.353 -7.251 1.00 0.00 O ATOM 0 H TYR A 105 -8.016 0.253 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.315 2.419 -7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.830 2.292 -7.739 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.960 2.420 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.723 4.226 -9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.880 4.546 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.658 6.675 -9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.821 6.994 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.444 8.748 -6.388 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.052 2.152 -4.280 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.576 2.478 -2.940 1.00 0.00 C ATOM 1603 C LEU A 106 -5.116 2.073 -2.767 1.00 0.00 C ATOM 1604 O LEU A 106 -4.307 2.837 -2.241 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.439 1.780 -1.888 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.927 2.132 -1.899 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.714 1.152 -1.043 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.142 3.558 -1.414 1.00 0.00 C ATOM 0 H LEU A 106 -7.954 1.677 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.652 3.557 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.340 0.703 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.038 2.017 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.290 2.060 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.771 1.419 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.587 0.143 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.349 1.191 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.207 3.791 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.763 3.657 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.611 4.249 -2.068 1.00 0.00 H new ATOM 1620 N SER A 107 -4.785 0.866 -3.216 1.00 0.00 N ATOM 1621 CA SER A 107 -3.422 0.358 -3.110 1.00 0.00 C ATOM 1622 C SER A 107 -2.408 1.455 -3.420 1.00 0.00 C ATOM 1623 O SER A 107 -1.386 1.582 -2.745 1.00 0.00 O ATOM 1624 CB SER A 107 -3.220 -0.823 -4.061 1.00 0.00 C ATOM 1625 OG SER A 107 -3.732 -2.021 -3.502 1.00 0.00 O ATOM 0 H SER A 107 -5.442 0.222 -3.657 1.00 0.00 H new ATOM 0 HA SER A 107 -3.265 0.021 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.717 -0.619 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.158 -0.943 -4.276 1.00 0.00 H new ATOM 0 HG SER A 107 -4.706 -2.040 -3.606 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.697 2.246 -4.447 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.813 3.334 -4.849 1.00 0.00 C ATOM 1633 C LYS A 108 -1.446 4.206 -3.653 1.00 0.00 C ATOM 1634 O LYS A 108 -0.269 4.453 -3.390 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.479 4.187 -5.931 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.707 3.445 -7.236 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.657 4.386 -8.428 1.00 0.00 C ATOM 1638 CE LYS A 108 -1.247 4.509 -8.984 1.00 0.00 C ATOM 1639 NZ LYS A 108 -1.139 5.603 -9.988 1.00 0.00 N ATOM 0 H LYS A 108 -3.538 2.154 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.899 2.897 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.436 4.550 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.859 5.063 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.950 2.669 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.675 2.944 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.326 4.022 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.019 5.370 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.550 4.696 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.954 3.565 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.297 5.450 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.988 5.608 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.056 6.517 -9.498 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.460 4.669 -2.930 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.244 5.514 -1.761 1.00 0.00 C ATOM 1655 C PHE A 109 -1.533 4.739 -0.655 1.00 0.00 C ATOM 1656 O PHE A 109 -0.534 5.201 -0.103 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.578 6.056 -1.243 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.248 7.007 -2.193 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.927 8.354 -2.187 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.199 6.552 -3.093 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.542 9.232 -3.060 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -5.816 7.425 -3.969 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.488 8.767 -3.952 1.00 0.00 C ATOM 0 H PHE A 109 -3.440 4.473 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.612 6.350 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.249 5.220 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.411 6.562 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.187 8.723 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.461 5.504 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.283 10.280 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -6.554 7.058 -4.667 1.00 0.00 H new ATOM 0 HZ PHE A 109 -5.970 9.451 -4.635 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.056 3.561 -0.336 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.474 2.723 0.706 1.00 0.00 C ATOM 1675 C TYR A 110 0.049 2.722 0.617 1.00 0.00 C ATOM 1676 O TYR A 110 0.739 2.947 1.610 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.003 1.292 0.594 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.170 0.278 1.344 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.187 0.226 2.732 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.364 -0.628 0.664 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.427 -0.699 3.422 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.398 -1.557 1.345 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.364 -1.588 2.724 1.00 0.00 C ATOM 1684 OH TYR A 110 1.123 -2.511 3.406 1.00 0.00 O ATOM 0 H TYR A 110 -2.882 3.164 -0.784 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.763 3.136 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.025 1.261 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.043 1.010 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.805 0.921 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.333 -0.605 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.452 -0.726 4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.017 -2.255 0.801 1.00 0.00 H new ATOM 0 HH TYR A 110 1.621 -3.062 2.766 1.00 0.00 H new ATOM 1694 N GLU A 111 0.565 2.467 -0.582 1.00 0.00 N ATOM 1695 CA GLU A 111 2.006 2.437 -0.801 1.00 0.00 C ATOM 1696 C GLU A 111 2.608 3.832 -0.658 1.00 0.00 C ATOM 1697 O GLU A 111 3.638 4.012 -0.007 1.00 0.00 O ATOM 1698 CB GLU A 111 2.322 1.873 -2.188 1.00 0.00 C ATOM 1699 CG GLU A 111 1.982 0.400 -2.339 1.00 0.00 C ATOM 1700 CD GLU A 111 3.035 -0.507 -1.732 1.00 0.00 C ATOM 1701 OE1 GLU A 111 3.700 -0.080 -0.765 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.193 -1.643 -2.225 1.00 0.00 O ATOM 0 H GLU A 111 0.007 2.279 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 111 2.449 1.790 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.771 2.443 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.383 2.015 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.021 0.202 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.870 0.163 -3.397 1.00 0.00 H new ATOM 1709 N LEU A 112 1.959 4.815 -1.270 1.00 0.00 N ATOM 1710 CA LEU A 112 2.429 6.195 -1.212 1.00 0.00 C ATOM 1711 C LEU A 112 2.687 6.622 0.229 1.00 0.00 C ATOM 1712 O LEU A 112 3.770 7.104 0.561 1.00 0.00 O ATOM 1713 CB LEU A 112 1.406 7.131 -1.859 1.00 0.00 C ATOM 1714 CG LEU A 112 1.742 8.622 -1.819 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.915 8.929 -2.738 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.527 9.453 -2.207 1.00 0.00 C ATOM 0 H LEU A 112 1.105 4.683 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 112 3.367 6.257 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.280 6.835 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.445 6.982 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 112 2.026 8.884 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.140 9.995 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.788 8.361 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.659 8.652 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.784 10.512 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.212 9.188 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.287 9.255 -1.510 1.00 0.00 H new ATOM 1728 N PHE A 113 1.685 6.440 1.083 1.00 0.00 N ATOM 1729 CA PHE A 113 1.803 6.806 2.489 1.00 0.00 C ATOM 1730 C PHE A 113 2.699 5.821 3.234 1.00 0.00 C ATOM 1731 O PHE A 113 3.641 6.219 3.920 1.00 0.00 O ATOM 1732 CB PHE A 113 0.421 6.850 3.145 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.379 8.067 2.775 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.049 9.332 3.144 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.559 7.945 2.058 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.686 10.453 2.806 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.297 9.063 1.717 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.859 10.318 2.090 1.00 0.00 C ATOM 0 H PHE A 113 0.782 6.041 0.825 1.00 0.00 H new ATOM 0 HA PHE A 113 2.256 7.796 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.136 5.958 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.540 6.819 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.967 9.444 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.906 6.966 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.343 11.434 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.215 8.955 1.159 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.433 11.193 1.822 1.00 0.00 H new ATOM 1748 N ARG A 114 2.399 4.534 3.094 1.00 0.00 N ATOM 1749 CA ARG A 114 3.176 3.492 3.754 1.00 0.00 C ATOM 1750 C ARG A 114 4.418 3.142 2.940 1.00 0.00 C ATOM 1751 O ARG A 114 4.346 2.388 1.971 1.00 0.00 O ATOM 1752 CB ARG A 114 2.319 2.241 3.960 1.00 0.00 C ATOM 1753 CG ARG A 114 2.879 1.285 5.000 1.00 0.00 C ATOM 1754 CD ARG A 114 2.286 -0.108 4.853 1.00 0.00 C ATOM 1755 NE ARG A 114 3.098 -1.122 5.520 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.329 -1.445 5.139 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.887 -0.837 4.101 1.00 0.00 N ATOM 1758 NH2 ARG A 114 5.005 -2.379 5.796 1.00 0.00 N ATOM 0 H ARG A 114 1.623 4.188 2.529 1.00 0.00 H new ATOM 0 HA ARG A 114 3.494 3.871 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.316 2.543 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.223 1.716 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.963 1.232 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.668 1.668 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.279 -0.119 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.196 -0.354 3.795 1.00 0.00 H new ATOM 0 HE ARG A 114 2.698 -1.609 6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.371 -0.119 3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.832 -1.087 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.579 -2.850 6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.950 -2.626 5.502 1.00 0.00 H new