USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 709 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 105 GLN : amide:sc= 0.168 K(o=0.42,f=-0.23) USER MOD Set 1.2: A 106 TYR OH : rot 97:sc= 0.248 USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= -0.526 USER MOD Set 2.2: A 59 THR OG1 : rot -71:sc= 0.151 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0867 K(o=-0.087,f=-2.2!) USER MOD Single : A 14 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-0.9) USER MOD Single : A 16 ASN : amide:sc=-0.00456 K(o=-0.0046,f=-1.6) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.0356 (180deg=-0.306) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 130:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00989 K(o=-0.0099,f=-0.55) USER MOD Single : A 56 CYS SG : rot 25:sc= 0.151 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -7.06! C(o=-7.1!,f=-8.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 99:sc= 0.393 USER MOD Single : A 73 GLN : amide:sc=-0.000809 K(o=-0.00081,f=-2!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.93) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -107:sc= 0.428 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.0237 (180deg=-0.204) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0.421 K(o=0.42,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.378 -0.581 -12.397 1.00 0.00 N ATOM 114 CA CYS A 11 3.529 0.183 -11.928 1.00 0.00 C ATOM 115 C CYS A 11 3.478 0.367 -10.415 1.00 0.00 C ATOM 116 O CYS A 11 4.504 0.307 -9.737 1.00 0.00 O ATOM 117 CB CYS A 11 3.579 1.546 -12.619 1.00 0.00 C ATOM 118 SG CYS A 11 4.144 1.484 -14.335 1.00 0.00 S ATOM 0 HA CYS A 11 4.431 -0.375 -12.178 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.585 1.992 -12.591 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.239 2.204 -12.054 1.00 0.00 H new ATOM 0 HG CYS A 11 4.150 2.685 -14.834 1.00 0.00 H new ATOM 124 N TRP A 12 2.278 0.593 -9.892 1.00 0.00 N ATOM 125 CA TRP A 12 2.094 0.789 -8.458 1.00 0.00 C ATOM 126 C TRP A 12 2.456 -0.475 -7.686 1.00 0.00 C ATOM 127 O TRP A 12 2.852 -0.410 -6.522 1.00 0.00 O ATOM 128 CB TRP A 12 0.648 1.188 -8.159 1.00 0.00 C ATOM 129 CG TRP A 12 -0.361 0.356 -8.889 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.038 0.698 -10.025 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.809 -0.957 -8.533 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.880 -0.323 -10.396 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.757 -1.350 -9.498 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.499 -1.839 -7.495 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.397 -2.585 -9.452 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.136 -3.065 -7.451 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.075 -3.429 -8.424 1.00 0.00 C ATOM 0 H TRP A 12 1.418 0.645 -10.439 1.00 0.00 H new ATOM 0 HA TRP A 12 2.758 1.591 -8.137 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.470 1.104 -7.087 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.505 2.235 -8.425 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.928 1.633 -10.554 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.497 -0.317 -11.208 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.225 -1.568 -6.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.122 -2.867 -10.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.905 -3.754 -6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.554 -4.395 -8.362 1.00 0.00 H new ATOM 148 N ASN A 13 2.319 -1.623 -8.340 1.00 0.00 N ATOM 149 CA ASN A 13 2.631 -2.902 -7.713 1.00 0.00 C ATOM 150 C ASN A 13 4.128 -3.192 -7.784 1.00 0.00 C ATOM 151 O ASN A 13 4.601 -3.846 -8.714 1.00 0.00 O ATOM 152 CB ASN A 13 1.850 -4.030 -8.390 1.00 0.00 C ATOM 153 CG ASN A 13 1.807 -5.290 -7.547 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.831 -5.743 -7.035 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.618 -5.863 -7.400 1.00 0.00 N ATOM 0 H ASN A 13 1.994 -1.694 -9.304 1.00 0.00 H new ATOM 0 HA ASN A 13 2.339 -2.845 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.832 -3.695 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.306 -4.256 -9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.527 -6.714 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.204 -5.452 -7.843 1.00 0.00 H new ATOM 162 N HIS A 14 4.867 -2.700 -6.795 1.00 0.00 N ATOM 163 CA HIS A 14 6.310 -2.907 -6.745 1.00 0.00 C ATOM 164 C HIS A 14 6.642 -4.386 -6.569 1.00 0.00 C ATOM 165 O HIS A 14 7.216 -5.013 -7.458 1.00 0.00 O ATOM 166 CB HIS A 14 6.923 -2.096 -5.602 1.00 0.00 C ATOM 167 CG HIS A 14 7.163 -0.659 -5.950 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.402 -0.060 -5.859 1.00 0.00 N ATOM 169 CD2 HIS A 14 6.315 0.299 -6.391 1.00 0.00 C ATOM 170 CE1 HIS A 14 8.304 1.205 -6.229 1.00 0.00 C ATOM 171 NE2 HIS A 14 7.048 1.448 -6.557 1.00 0.00 N ATOM 0 H HIS A 14 4.491 -2.156 -6.018 1.00 0.00 H new ATOM 0 HA HIS A 14 6.733 -2.568 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.262 -2.146 -4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.868 -2.553 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.258 0.182 -6.578 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.114 1.919 -6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.682 2.343 -6.881 1.00 0.00 H new ATOM 180 N GLY A 15 6.275 -4.937 -5.416 1.00 0.00 N ATOM 181 CA GLY A 15 6.543 -6.337 -5.144 1.00 0.00 C ATOM 182 C GLY A 15 7.119 -6.560 -3.760 1.00 0.00 C ATOM 183 O GLY A 15 6.540 -6.130 -2.763 1.00 0.00 O ATOM 0 H GLY A 15 5.797 -4.439 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.619 -6.907 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.239 -6.722 -5.890 1.00 0.00 H new ATOM 187 N ASN A 16 8.262 -7.235 -3.698 1.00 0.00 N ATOM 188 CA ASN A 16 8.916 -7.516 -2.425 1.00 0.00 C ATOM 189 C ASN A 16 9.957 -6.449 -2.101 1.00 0.00 C ATOM 190 O ASN A 16 11.138 -6.606 -2.412 1.00 0.00 O ATOM 191 CB ASN A 16 9.577 -8.896 -2.461 1.00 0.00 C ATOM 192 CG ASN A 16 10.047 -9.347 -1.092 1.00 0.00 C ATOM 193 OD1 ASN A 16 9.391 -9.092 -0.083 1.00 0.00 O ATOM 194 ND2 ASN A 16 11.191 -10.021 -1.053 1.00 0.00 N ATOM 0 H ASN A 16 8.755 -7.598 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 16 8.156 -7.505 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.870 -9.624 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.426 -8.872 -3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.559 -10.350 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.701 -10.210 -1.916 1.00 0.00 H new ATOM 201 N ILE A 17 9.511 -5.366 -1.474 1.00 0.00 N ATOM 202 CA ILE A 17 10.405 -4.275 -1.107 1.00 0.00 C ATOM 203 C ILE A 17 10.433 -4.073 0.404 1.00 0.00 C ATOM 204 O ILE A 17 9.499 -4.454 1.111 1.00 0.00 O ATOM 205 CB ILE A 17 9.988 -2.955 -1.782 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.651 -2.468 -1.220 1.00 0.00 C ATOM 207 CG2 ILE A 17 9.900 -3.136 -3.290 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.306 -1.051 -1.621 1.00 0.00 C ATOM 0 H ILE A 17 8.537 -5.221 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 17 11.401 -4.552 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 17 10.746 -2.201 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.859 -3.136 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.678 -2.532 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.604 -2.194 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.872 -3.441 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.160 -3.902 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.346 -0.774 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.078 -0.372 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.246 -0.985 -2.707 1.00 0.00 H new ATOM 220 N THR A 18 11.510 -3.468 0.895 1.00 0.00 N ATOM 221 CA THR A 18 11.661 -3.214 2.323 1.00 0.00 C ATOM 222 C THR A 18 11.089 -1.854 2.702 1.00 0.00 C ATOM 223 O THR A 18 11.048 -0.936 1.882 1.00 0.00 O ATOM 224 CB THR A 18 13.139 -3.275 2.751 1.00 0.00 C ATOM 225 OG1 THR A 18 13.233 -3.331 4.179 1.00 0.00 O ATOM 226 CG2 THR A 18 13.902 -2.065 2.234 1.00 0.00 C ATOM 0 H THR A 18 12.291 -3.144 0.325 1.00 0.00 H new ATOM 0 HA THR A 18 11.108 -3.995 2.844 1.00 0.00 H new ATOM 0 HB THR A 18 13.582 -4.174 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.176 -3.371 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.944 -2.130 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.853 -2.042 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.457 -1.155 2.637 1.00 0.00 H new ATOM 234 N ARG A 19 10.648 -1.729 3.950 1.00 0.00 N ATOM 235 CA ARG A 19 10.077 -0.479 4.438 1.00 0.00 C ATOM 236 C ARG A 19 10.838 0.720 3.880 1.00 0.00 C ATOM 237 O ARG A 19 10.278 1.538 3.151 1.00 0.00 O ATOM 238 CB ARG A 19 10.101 -0.446 5.967 1.00 0.00 C ATOM 239 CG ARG A 19 8.977 0.376 6.576 1.00 0.00 C ATOM 240 CD ARG A 19 8.998 0.310 8.095 1.00 0.00 C ATOM 241 NE ARG A 19 8.315 -0.878 8.600 1.00 0.00 N ATOM 242 CZ ARG A 19 8.339 -1.253 9.874 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.006 -0.536 10.767 1.00 0.00 N ATOM 244 NH2 ARG A 19 7.693 -2.347 10.257 1.00 0.00 N ATOM 0 H ARG A 19 10.675 -2.478 4.642 1.00 0.00 H new ATOM 0 HA ARG A 19 9.043 -0.422 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.039 -1.466 6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.057 -0.040 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.068 1.414 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.018 0.012 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.031 0.310 8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.523 1.202 8.503 1.00 0.00 H new ATOM 0 HE ARG A 19 7.791 -1.451 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.503 0.306 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.023 -0.826 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.177 -2.901 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.712 -2.634 11.236 1.00 0.00 H new ATOM 258 N SER A 20 12.117 0.817 4.228 1.00 0.00 N ATOM 259 CA SER A 20 12.954 1.918 3.765 1.00 0.00 C ATOM 260 C SER A 20 12.591 2.313 2.337 1.00 0.00 C ATOM 261 O SER A 20 12.436 3.495 2.028 1.00 0.00 O ATOM 262 CB SER A 20 14.432 1.529 3.839 1.00 0.00 C ATOM 263 OG SER A 20 14.826 1.273 5.176 1.00 0.00 O ATOM 0 H SER A 20 12.596 0.147 4.829 1.00 0.00 H new ATOM 0 HA SER A 20 12.778 2.774 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.609 0.644 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.043 2.330 3.424 1.00 0.00 H new ATOM 0 HG SER A 20 15.774 1.025 5.196 1.00 0.00 H new ATOM 269 N LYS A 21 12.457 1.316 1.470 1.00 0.00 N ATOM 270 CA LYS A 21 12.111 1.557 0.074 1.00 0.00 C ATOM 271 C LYS A 21 10.742 2.220 -0.041 1.00 0.00 C ATOM 272 O LYS A 21 10.622 3.332 -0.554 1.00 0.00 O ATOM 273 CB LYS A 21 12.119 0.242 -0.709 1.00 0.00 C ATOM 274 CG LYS A 21 12.024 0.429 -2.213 1.00 0.00 C ATOM 275 CD LYS A 21 12.728 -0.692 -2.960 1.00 0.00 C ATOM 276 CE LYS A 21 13.077 -0.281 -4.382 1.00 0.00 C ATOM 277 NZ LYS A 21 13.233 -1.460 -5.278 1.00 0.00 N ATOM 0 H LYS A 21 12.583 0.332 1.709 1.00 0.00 H new ATOM 0 HA LYS A 21 12.858 2.229 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.033 -0.304 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.285 -0.375 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.976 0.464 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.466 1.386 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.637 -0.971 -2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.088 -1.574 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.297 0.372 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.002 0.296 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.471 -1.138 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.995 -2.070 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.343 -1.997 -5.304 1.00 0.00 H new ATOM 291 N ALA A 22 9.713 1.532 0.442 1.00 0.00 N ATOM 292 CA ALA A 22 8.354 2.056 0.396 1.00 0.00 C ATOM 293 C ALA A 22 8.316 3.521 0.819 1.00 0.00 C ATOM 294 O ALA A 22 7.964 4.395 0.029 1.00 0.00 O ATOM 295 CB ALA A 22 7.437 1.225 1.282 1.00 0.00 C ATOM 0 H ALA A 22 9.795 0.610 0.870 1.00 0.00 H new ATOM 0 HA ALA A 22 8.001 1.993 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.425 1.628 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.432 0.192 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.796 1.259 2.311 1.00 0.00 H new ATOM 301 N GLU A 23 8.681 3.780 2.071 1.00 0.00 N ATOM 302 CA GLU A 23 8.687 5.140 2.599 1.00 0.00 C ATOM 303 C GLU A 23 9.558 6.052 1.740 1.00 0.00 C ATOM 304 O GLU A 23 9.090 7.066 1.223 1.00 0.00 O ATOM 305 CB GLU A 23 9.190 5.148 4.044 1.00 0.00 C ATOM 306 CG GLU A 23 8.235 4.487 5.024 1.00 0.00 C ATOM 307 CD GLU A 23 8.339 5.069 6.421 1.00 0.00 C ATOM 308 OE1 GLU A 23 9.382 4.856 7.075 1.00 0.00 O ATOM 309 OE2 GLU A 23 7.379 5.735 6.859 1.00 0.00 O ATOM 0 H GLU A 23 8.976 3.067 2.738 1.00 0.00 H new ATOM 0 HA GLU A 23 7.664 5.516 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.153 4.638 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.361 6.179 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.213 4.600 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.443 3.418 5.063 1.00 0.00 H new ATOM 316 N GLU A 24 10.827 5.684 1.595 1.00 0.00 N ATOM 317 CA GLU A 24 11.763 6.470 0.800 1.00 0.00 C ATOM 318 C GLU A 24 11.106 6.963 -0.486 1.00 0.00 C ATOM 319 O GLU A 24 11.111 8.159 -0.780 1.00 0.00 O ATOM 320 CB GLU A 24 13.005 5.641 0.466 1.00 0.00 C ATOM 321 CG GLU A 24 14.011 6.374 -0.405 1.00 0.00 C ATOM 322 CD GLU A 24 14.719 7.492 0.336 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.043 7.300 1.527 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.950 8.556 -0.274 1.00 0.00 O ATOM 0 H GLU A 24 11.230 4.848 2.017 1.00 0.00 H new ATOM 0 HA GLU A 24 12.061 7.337 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.491 5.341 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.696 4.727 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.750 5.664 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.500 6.786 -1.275 1.00 0.00 H new ATOM 331 N LEU A 25 10.542 6.034 -1.248 1.00 0.00 N ATOM 332 CA LEU A 25 9.880 6.372 -2.504 1.00 0.00 C ATOM 333 C LEU A 25 8.832 7.460 -2.291 1.00 0.00 C ATOM 334 O LEU A 25 8.936 8.554 -2.846 1.00 0.00 O ATOM 335 CB LEU A 25 9.226 5.129 -3.109 1.00 0.00 C ATOM 336 CG LEU A 25 10.172 3.988 -3.484 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.455 2.650 -3.396 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.737 4.201 -4.881 1.00 0.00 C ATOM 0 H LEU A 25 10.529 5.040 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 25 10.634 6.750 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.492 4.747 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.679 5.429 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 25 11.000 3.981 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.144 1.850 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.099 2.494 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.607 2.646 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.408 3.379 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.921 4.235 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.287 5.141 -4.911 1.00 0.00 H new ATOM 350 N LEU A 26 7.824 7.152 -1.482 1.00 0.00 N ATOM 351 CA LEU A 26 6.757 8.105 -1.194 1.00 0.00 C ATOM 352 C LEU A 26 7.329 9.476 -0.851 1.00 0.00 C ATOM 353 O LEU A 26 6.931 10.488 -1.427 1.00 0.00 O ATOM 354 CB LEU A 26 5.892 7.597 -0.039 1.00 0.00 C ATOM 355 CG LEU A 26 5.193 6.256 -0.263 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.509 5.790 1.013 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.188 6.362 -1.401 1.00 0.00 C ATOM 0 H LEU A 26 7.723 6.251 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 26 6.140 8.203 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.519 7.513 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.132 8.348 0.177 1.00 0.00 H new ATOM 0 HG LEU A 26 5.946 5.517 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.017 4.834 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.252 5.674 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.767 6.528 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.700 5.398 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.439 7.115 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.704 6.649 -2.317 1.00 0.00 H new ATOM 369 N SER A 27 8.268 9.502 0.090 1.00 0.00 N ATOM 370 CA SER A 27 8.895 10.749 0.511 1.00 0.00 C ATOM 371 C SER A 27 9.509 11.477 -0.680 1.00 0.00 C ATOM 372 O SER A 27 9.218 12.649 -0.923 1.00 0.00 O ATOM 373 CB SER A 27 9.969 10.474 1.566 1.00 0.00 C ATOM 374 OG SER A 27 10.296 11.654 2.280 1.00 0.00 O ATOM 0 H SER A 27 8.611 8.673 0.575 1.00 0.00 H new ATOM 0 HA SER A 27 8.125 11.386 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.615 9.712 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.863 10.077 1.085 1.00 0.00 H new ATOM 0 HG SER A 27 10.983 11.452 2.949 1.00 0.00 H new ATOM 380 N ARG A 28 10.361 10.775 -1.420 1.00 0.00 N ATOM 381 CA ARG A 28 11.018 11.354 -2.585 1.00 0.00 C ATOM 382 C ARG A 28 10.042 12.203 -3.394 1.00 0.00 C ATOM 383 O ARG A 28 10.262 13.397 -3.598 1.00 0.00 O ATOM 384 CB ARG A 28 11.604 10.250 -3.468 1.00 0.00 C ATOM 385 CG ARG A 28 13.012 9.836 -3.073 1.00 0.00 C ATOM 386 CD ARG A 28 13.803 9.336 -4.271 1.00 0.00 C ATOM 387 NE ARG A 28 15.099 8.788 -3.882 1.00 0.00 N ATOM 388 CZ ARG A 28 16.037 8.431 -4.751 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.825 8.565 -6.053 1.00 0.00 N ATOM 390 NH2 ARG A 28 17.192 7.940 -4.319 1.00 0.00 N ATOM 0 H ARG A 28 10.612 9.804 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 28 11.826 11.996 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.952 9.377 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.612 10.591 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.529 10.684 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.963 9.054 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.227 8.570 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.952 10.155 -4.974 1.00 0.00 H new ATOM 0 HE ARG A 28 15.295 8.673 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.939 8.943 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.548 8.290 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.360 7.837 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.912 7.666 -4.988 1.00 0.00 H new ATOM 404 N THR A 29 8.962 11.578 -3.853 1.00 0.00 N ATOM 405 CA THR A 29 7.954 12.275 -4.641 1.00 0.00 C ATOM 406 C THR A 29 7.449 13.517 -3.915 1.00 0.00 C ATOM 407 O THR A 29 7.378 14.600 -4.493 1.00 0.00 O ATOM 408 CB THR A 29 6.757 11.358 -4.959 1.00 0.00 C ATOM 409 OG1 THR A 29 7.208 10.182 -5.640 1.00 0.00 O ATOM 410 CG2 THR A 29 5.731 12.085 -5.815 1.00 0.00 C ATOM 0 H THR A 29 8.763 10.591 -3.692 1.00 0.00 H new ATOM 0 HA THR A 29 8.433 12.573 -5.574 1.00 0.00 H new ATOM 0 HB THR A 29 6.285 11.074 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.442 9.604 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.895 11.418 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.368 12.963 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.193 12.396 -6.752 1.00 0.00 H new ATOM 418 N GLY A 30 7.101 13.352 -2.642 1.00 0.00 N ATOM 419 CA GLY A 30 6.608 14.468 -1.857 1.00 0.00 C ATOM 420 C GLY A 30 5.392 15.124 -2.481 1.00 0.00 C ATOM 421 O GLY A 30 5.474 16.238 -2.999 1.00 0.00 O ATOM 0 H GLY A 30 7.152 12.465 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.355 14.120 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.400 15.209 -1.747 1.00 0.00 H new ATOM 425 N LYS A 31 4.259 14.431 -2.434 1.00 0.00 N ATOM 426 CA LYS A 31 3.020 14.951 -2.999 1.00 0.00 C ATOM 427 C LYS A 31 1.822 14.554 -2.141 1.00 0.00 C ATOM 428 O LYS A 31 1.930 13.692 -1.269 1.00 0.00 O ATOM 429 CB LYS A 31 2.830 14.435 -4.427 1.00 0.00 C ATOM 430 CG LYS A 31 3.662 15.179 -5.458 1.00 0.00 C ATOM 431 CD LYS A 31 3.351 14.710 -6.869 1.00 0.00 C ATOM 432 CE LYS A 31 3.858 15.698 -7.909 1.00 0.00 C ATOM 433 NZ LYS A 31 3.099 16.979 -7.874 1.00 0.00 N ATOM 0 H LYS A 31 4.174 13.507 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 31 3.087 16.039 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.088 13.376 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.777 14.515 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.470 16.249 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.721 15.029 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.808 13.735 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.275 14.581 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.915 15.898 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.776 15.255 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.223 17.481 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.089 16.780 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.454 17.572 -7.096 1.00 0.00 H new ATOM 447 N ASP A 32 0.683 15.188 -2.395 1.00 0.00 N ATOM 448 CA ASP A 32 -0.536 14.899 -1.648 1.00 0.00 C ATOM 449 C ASP A 32 -1.459 13.984 -2.446 1.00 0.00 C ATOM 450 O ASP A 32 -2.626 14.302 -2.667 1.00 0.00 O ATOM 451 CB ASP A 32 -1.264 16.197 -1.296 1.00 0.00 C ATOM 452 CG ASP A 32 -1.316 17.166 -2.462 1.00 0.00 C ATOM 453 OD1 ASP A 32 -0.240 17.619 -2.906 1.00 0.00 O ATOM 454 OD2 ASP A 32 -2.432 17.469 -2.931 1.00 0.00 O ATOM 0 H ASP A 32 0.578 15.905 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.255 14.388 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.279 15.965 -0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.764 16.674 -0.453 1.00 0.00 H new ATOM 459 N GLY A 33 -0.926 12.844 -2.877 1.00 0.00 N ATOM 460 CA GLY A 33 -1.715 11.901 -3.647 1.00 0.00 C ATOM 461 C GLY A 33 -0.888 10.740 -4.165 1.00 0.00 C ATOM 462 O GLY A 33 -1.172 10.195 -5.232 1.00 0.00 O ATOM 0 H GLY A 33 0.038 12.557 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.525 11.518 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.176 12.419 -4.488 1.00 0.00 H new ATOM 466 N SER A 34 0.137 10.362 -3.409 1.00 0.00 N ATOM 467 CA SER A 34 1.011 9.263 -3.800 1.00 0.00 C ATOM 468 C SER A 34 0.650 7.987 -3.046 1.00 0.00 C ATOM 469 O SER A 34 0.221 8.034 -1.892 1.00 0.00 O ATOM 470 CB SER A 34 2.474 9.627 -3.538 1.00 0.00 C ATOM 471 OG SER A 34 2.900 10.674 -4.393 1.00 0.00 O ATOM 0 H SER A 34 0.383 10.801 -2.522 1.00 0.00 H new ATOM 0 HA SER A 34 0.874 9.085 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.596 9.930 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.103 8.750 -3.690 1.00 0.00 H new ATOM 0 HG SER A 34 3.837 10.889 -4.205 1.00 0.00 H new ATOM 477 N PHE A 35 0.826 6.847 -3.705 1.00 0.00 N ATOM 478 CA PHE A 35 0.519 5.557 -3.099 1.00 0.00 C ATOM 479 C PHE A 35 1.331 4.442 -3.750 1.00 0.00 C ATOM 480 O PHE A 35 1.839 4.596 -4.862 1.00 0.00 O ATOM 481 CB PHE A 35 -0.976 5.255 -3.223 1.00 0.00 C ATOM 482 CG PHE A 35 -1.393 4.855 -4.610 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.605 5.813 -5.587 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.573 3.520 -4.935 1.00 0.00 C ATOM 485 CE1 PHE A 35 -1.989 5.448 -6.864 1.00 0.00 C ATOM 486 CE2 PHE A 35 -1.956 3.149 -6.210 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.165 4.115 -7.176 1.00 0.00 C ATOM 0 H PHE A 35 1.180 6.790 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 35 0.786 5.607 -2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.236 4.456 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.543 6.136 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.469 6.858 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.412 2.761 -4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.151 6.205 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.092 2.105 -6.451 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.465 3.828 -8.173 1.00 0.00 H new ATOM 497 N LEU A 36 1.449 3.318 -3.051 1.00 0.00 N ATOM 498 CA LEU A 36 2.200 2.176 -3.560 1.00 0.00 C ATOM 499 C LEU A 36 1.788 0.892 -2.847 1.00 0.00 C ATOM 500 O LEU A 36 1.019 0.922 -1.886 1.00 0.00 O ATOM 501 CB LEU A 36 3.702 2.409 -3.387 1.00 0.00 C ATOM 502 CG LEU A 36 4.226 2.370 -1.951 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.174 0.952 -1.403 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.644 2.917 -1.886 1.00 0.00 C ATOM 0 H LEU A 36 1.034 3.173 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 36 1.975 2.069 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.235 1.656 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.951 3.379 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 36 3.586 3.000 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.551 0.943 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.144 0.595 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.790 0.300 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.001 2.882 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.296 2.313 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.652 3.949 -2.238 1.00 0.00 H new ATOM 516 N VAL A 37 2.306 -0.236 -3.324 1.00 0.00 N ATOM 517 CA VAL A 37 1.995 -1.531 -2.730 1.00 0.00 C ATOM 518 C VAL A 37 3.260 -2.351 -2.506 1.00 0.00 C ATOM 519 O VAL A 37 4.027 -2.595 -3.437 1.00 0.00 O ATOM 520 CB VAL A 37 1.025 -2.335 -3.615 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.689 -3.669 -2.965 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.239 -1.532 -3.887 1.00 0.00 C ATOM 0 H VAL A 37 2.943 -0.279 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 37 1.520 -1.333 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 37 1.513 -2.535 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.002 -4.223 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.603 -4.247 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.221 -3.494 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.913 -2.116 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.732 -1.299 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.022 -0.606 -4.399 1.00 0.00 H new ATOM 532 N ARG A 38 3.472 -2.774 -1.264 1.00 0.00 N ATOM 533 CA ARG A 38 4.645 -3.566 -0.916 1.00 0.00 C ATOM 534 C ARG A 38 4.237 -4.890 -0.276 1.00 0.00 C ATOM 535 O ARG A 38 3.195 -4.982 0.373 1.00 0.00 O ATOM 536 CB ARG A 38 5.551 -2.785 0.037 1.00 0.00 C ATOM 537 CG ARG A 38 4.862 -2.363 1.324 1.00 0.00 C ATOM 538 CD ARG A 38 5.845 -1.744 2.305 1.00 0.00 C ATOM 539 NE ARG A 38 5.385 -1.859 3.687 1.00 0.00 N ATOM 540 CZ ARG A 38 5.316 -3.011 4.345 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.675 -4.140 3.750 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.887 -3.034 5.600 1.00 0.00 N ATOM 0 H ARG A 38 2.846 -2.581 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 38 5.193 -3.779 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.419 -3.397 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.922 -1.897 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.073 -1.646 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.384 -3.229 1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.814 -2.232 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.990 -0.692 2.058 1.00 0.00 H new ATOM 0 HE ARG A 38 5.101 -1.008 4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.005 -4.125 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.621 -5.023 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.610 -2.167 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.834 -3.919 6.105 1.00 0.00 H new ATOM 556 N ALA A 39 5.065 -5.912 -0.463 1.00 0.00 N ATOM 557 CA ALA A 39 4.791 -7.230 0.097 1.00 0.00 C ATOM 558 C ALA A 39 4.793 -7.189 1.622 1.00 0.00 C ATOM 559 O ALA A 39 5.851 -7.161 2.250 1.00 0.00 O ATOM 560 CB ALA A 39 5.811 -8.240 -0.407 1.00 0.00 C ATOM 0 H ALA A 39 5.931 -5.853 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 39 3.798 -7.538 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.594 -9.220 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.759 -8.298 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.811 -7.927 -0.107 1.00 0.00 H new ATOM 566 N SER A 40 3.602 -7.186 2.210 1.00 0.00 N ATOM 567 CA SER A 40 3.466 -7.144 3.662 1.00 0.00 C ATOM 568 C SER A 40 4.535 -8.001 4.332 1.00 0.00 C ATOM 569 O SER A 40 5.166 -7.580 5.301 1.00 0.00 O ATOM 570 CB SER A 40 2.075 -7.624 4.079 1.00 0.00 C ATOM 571 OG SER A 40 1.834 -8.945 3.625 1.00 0.00 O ATOM 0 H SER A 40 2.717 -7.212 1.704 1.00 0.00 H new ATOM 0 HA SER A 40 3.598 -6.111 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.984 -7.587 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.318 -6.953 3.673 1.00 0.00 H new ATOM 0 HG SER A 40 1.509 -9.493 4.370 1.00 0.00 H new ATOM 657 N ALA A 46 -0.916 -12.201 1.320 1.00 0.00 N ATOM 658 CA ALA A 46 -1.068 -10.921 2.000 1.00 0.00 C ATOM 659 C ALA A 46 -0.337 -9.811 1.251 1.00 0.00 C ATOM 660 O ALA A 46 0.429 -10.075 0.325 1.00 0.00 O ATOM 661 CB ALA A 46 -0.559 -11.019 3.430 1.00 0.00 C ATOM 0 HA ALA A 46 -2.129 -10.672 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.679 -10.056 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.128 -11.777 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.496 -11.295 3.423 1.00 0.00 H new ATOM 667 N TYR A 47 -0.580 -8.571 1.658 1.00 0.00 N ATOM 668 CA TYR A 47 0.053 -7.420 1.024 1.00 0.00 C ATOM 669 C TYR A 47 -0.087 -6.174 1.891 1.00 0.00 C ATOM 670 O TYR A 47 -0.684 -6.216 2.967 1.00 0.00 O ATOM 671 CB TYR A 47 -0.563 -7.169 -0.354 1.00 0.00 C ATOM 672 CG TYR A 47 0.071 -7.984 -1.459 1.00 0.00 C ATOM 673 CD1 TYR A 47 1.244 -7.564 -2.073 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.504 -9.174 -1.887 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.826 -8.305 -3.083 1.00 0.00 C ATOM 676 CE2 TYR A 47 0.072 -9.922 -2.896 1.00 0.00 C ATOM 677 CZ TYR A 47 1.237 -9.484 -3.491 1.00 0.00 C ATOM 678 OH TYR A 47 1.814 -10.226 -4.496 1.00 0.00 O ATOM 0 H TYR A 47 -1.211 -8.336 2.424 1.00 0.00 H new ATOM 0 HA TYR A 47 1.114 -7.640 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.628 -7.395 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.471 -6.110 -0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.709 -6.642 -1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.416 -9.520 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.737 -7.963 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.388 -10.845 -3.217 1.00 0.00 H new ATOM 0 HH TYR A 47 1.275 -11.027 -4.662 1.00 0.00 H new ATOM 688 N ALA A 48 0.468 -5.064 1.415 1.00 0.00 N ATOM 689 CA ALA A 48 0.403 -3.804 2.145 1.00 0.00 C ATOM 690 C ALA A 48 0.342 -2.618 1.188 1.00 0.00 C ATOM 691 O ALA A 48 1.173 -2.491 0.287 1.00 0.00 O ATOM 692 CB ALA A 48 1.598 -3.672 3.077 1.00 0.00 C ATOM 0 H ALA A 48 0.968 -5.012 0.527 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.510 -3.804 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.537 -2.726 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.596 -4.497 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.519 -3.698 2.494 1.00 0.00 H new ATOM 698 N LEU A 49 -0.645 -1.752 1.388 1.00 0.00 N ATOM 699 CA LEU A 49 -0.814 -0.575 0.542 1.00 0.00 C ATOM 700 C LEU A 49 -0.464 0.698 1.305 1.00 0.00 C ATOM 701 O LEU A 49 -1.204 1.127 2.190 1.00 0.00 O ATOM 702 CB LEU A 49 -2.252 -0.496 0.028 1.00 0.00 C ATOM 703 CG LEU A 49 -2.678 0.845 -0.572 1.00 0.00 C ATOM 704 CD1 LEU A 49 -1.910 1.123 -1.855 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.177 0.862 -0.830 1.00 0.00 C ATOM 0 H LEU A 49 -1.341 -1.842 2.128 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.136 -0.666 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.389 -1.269 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.925 -0.733 0.852 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.445 1.633 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.226 2.081 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.842 1.155 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.111 0.332 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.462 1.824 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.435 0.065 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.710 0.710 0.109 1.00 0.00 H new ATOM 717 N CYS A 50 0.667 1.300 0.953 1.00 0.00 N ATOM 718 CA CYS A 50 1.116 2.526 1.603 1.00 0.00 C ATOM 719 C CYS A 50 0.632 3.754 0.839 1.00 0.00 C ATOM 720 O CYS A 50 0.546 3.740 -0.389 1.00 0.00 O ATOM 721 CB CYS A 50 2.641 2.544 1.709 1.00 0.00 C ATOM 722 SG CYS A 50 3.316 1.319 2.855 1.00 0.00 S ATOM 0 H CYS A 50 1.290 0.959 0.221 1.00 0.00 H new ATOM 0 HA CYS A 50 0.690 2.553 2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.065 2.373 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.961 3.537 2.025 1.00 0.00 H new ATOM 0 HG CYS A 50 4.613 1.411 2.874 1.00 0.00 H new ATOM 728 N VAL A 51 0.316 4.816 1.574 1.00 0.00 N ATOM 729 CA VAL A 51 -0.159 6.053 0.966 1.00 0.00 C ATOM 730 C VAL A 51 0.371 7.271 1.712 1.00 0.00 C ATOM 731 O VAL A 51 0.334 7.325 2.942 1.00 0.00 O ATOM 732 CB VAL A 51 -1.698 6.110 0.940 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.174 7.435 0.365 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.261 4.942 0.144 1.00 0.00 C ATOM 0 H VAL A 51 0.381 4.844 2.592 1.00 0.00 H new ATOM 0 HA VAL A 51 0.215 6.067 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.064 6.033 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.264 7.457 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.801 8.254 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.799 7.546 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.350 4.998 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.888 4.986 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.949 4.004 0.604 1.00 0.00 H new ATOM 744 N LEU A 52 0.865 8.250 0.961 1.00 0.00 N ATOM 745 CA LEU A 52 1.404 9.470 1.552 1.00 0.00 C ATOM 746 C LEU A 52 0.446 10.641 1.350 1.00 0.00 C ATOM 747 O LEU A 52 0.176 11.047 0.220 1.00 0.00 O ATOM 748 CB LEU A 52 2.766 9.799 0.938 1.00 0.00 C ATOM 749 CG LEU A 52 3.576 10.885 1.647 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.319 10.304 2.840 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.550 11.541 0.678 1.00 0.00 C ATOM 0 H LEU A 52 0.903 8.222 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 52 1.526 9.304 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.362 8.886 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.611 10.106 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 52 2.886 11.647 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.890 11.092 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.602 9.881 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.998 9.522 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.118 12.311 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.234 10.789 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.996 11.993 -0.145 1.00 0.00 H new ATOM 763 N TYR A 53 -0.061 11.179 2.453 1.00 0.00 N ATOM 764 CA TYR A 53 -0.988 12.303 2.398 1.00 0.00 C ATOM 765 C TYR A 53 -0.470 13.478 3.222 1.00 0.00 C ATOM 766 O TYR A 53 -0.132 14.530 2.679 1.00 0.00 O ATOM 767 CB TYR A 53 -2.367 11.879 2.906 1.00 0.00 C ATOM 768 CG TYR A 53 -3.382 13.000 2.909 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.843 13.550 1.718 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.881 13.510 4.101 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.769 14.574 1.716 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.809 14.533 4.108 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.250 15.062 2.913 1.00 0.00 C ATOM 774 OH TYR A 53 -6.173 16.082 2.916 1.00 0.00 O ATOM 0 H TYR A 53 0.154 10.855 3.396 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.072 12.621 1.359 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.739 11.065 2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.267 11.487 3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.470 13.170 0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.537 13.099 5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.115 14.991 0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.187 14.917 5.044 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.409 16.307 3.840 1.00 0.00 H new ATOM 784 N ARG A 54 -0.409 13.290 4.536 1.00 0.00 N ATOM 785 CA ARG A 54 0.067 14.333 5.437 1.00 0.00 C ATOM 786 C ARG A 54 1.279 13.853 6.231 1.00 0.00 C ATOM 787 O ARG A 54 1.146 13.379 7.358 1.00 0.00 O ATOM 788 CB ARG A 54 -1.048 14.759 6.393 1.00 0.00 C ATOM 789 CG ARG A 54 -2.003 15.781 5.799 1.00 0.00 C ATOM 790 CD ARG A 54 -2.782 16.510 6.882 1.00 0.00 C ATOM 791 NE ARG A 54 -3.870 15.695 7.416 1.00 0.00 N ATOM 792 CZ ARG A 54 -4.874 16.188 8.133 1.00 0.00 C ATOM 793 NH1 ARG A 54 -4.928 17.485 8.401 1.00 0.00 N ATOM 794 NH2 ARG A 54 -5.827 15.382 8.584 1.00 0.00 N ATOM 0 H ARG A 54 -0.683 12.425 5.001 1.00 0.00 H new ATOM 0 HA ARG A 54 0.366 15.191 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.614 13.877 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.601 15.174 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.442 16.502 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.697 15.282 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.106 16.787 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.189 17.436 6.475 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.858 14.693 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.197 18.108 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.700 17.860 8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.789 14.383 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.597 15.761 9.134 1.00 0.00 H new ATOM 808 N ASN A 55 2.459 13.981 5.634 1.00 0.00 N ATOM 809 CA ASN A 55 3.694 13.560 6.286 1.00 0.00 C ATOM 810 C ASN A 55 3.475 12.286 7.096 1.00 0.00 C ATOM 811 O ASN A 55 4.071 12.103 8.158 1.00 0.00 O ATOM 812 CB ASN A 55 4.220 14.672 7.196 1.00 0.00 C ATOM 813 CG ASN A 55 5.725 14.610 7.374 1.00 0.00 C ATOM 814 OD1 ASN A 55 6.316 13.531 7.384 1.00 0.00 O ATOM 815 ND2 ASN A 55 6.352 15.772 7.516 1.00 0.00 N ATOM 0 H ASN A 55 2.586 14.372 4.701 1.00 0.00 H new ATOM 0 HA ASN A 55 4.432 13.354 5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.946 15.640 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.738 14.598 8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.364 15.794 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.821 16.643 7.501 1.00 0.00 H new ATOM 822 N CYS A 56 2.618 11.409 6.587 1.00 0.00 N ATOM 823 CA CYS A 56 2.319 10.151 7.262 1.00 0.00 C ATOM 824 C CYS A 56 2.027 9.047 6.252 1.00 0.00 C ATOM 825 O CYS A 56 1.139 9.180 5.410 1.00 0.00 O ATOM 826 CB CYS A 56 1.128 10.324 8.205 1.00 0.00 C ATOM 827 SG CYS A 56 1.568 10.947 9.845 1.00 0.00 S ATOM 0 H CYS A 56 2.117 11.545 5.709 1.00 0.00 H new ATOM 0 HA CYS A 56 3.195 9.863 7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.413 11.008 7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.624 9.364 8.316 1.00 0.00 H new ATOM 0 HG CYS A 56 2.685 11.608 9.773 1.00 0.00 H new ATOM 833 N VAL A 57 2.781 7.956 6.340 1.00 0.00 N ATOM 834 CA VAL A 57 2.603 6.828 5.433 1.00 0.00 C ATOM 835 C VAL A 57 1.511 5.889 5.931 1.00 0.00 C ATOM 836 O VAL A 57 1.739 5.074 6.826 1.00 0.00 O ATOM 837 CB VAL A 57 3.911 6.032 5.264 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.689 4.823 4.369 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.009 6.925 4.704 1.00 0.00 C ATOM 0 H VAL A 57 3.521 7.829 7.030 1.00 0.00 H new ATOM 0 HA VAL A 57 2.310 7.241 4.468 1.00 0.00 H new ATOM 0 HB VAL A 57 4.228 5.675 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.624 4.273 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.936 4.174 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.348 5.154 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.926 6.347 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.702 7.313 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.186 7.756 5.387 1.00 0.00 H new ATOM 849 N TYR A 58 0.324 6.007 5.346 1.00 0.00 N ATOM 850 CA TYR A 58 -0.805 5.170 5.732 1.00 0.00 C ATOM 851 C TYR A 58 -0.619 3.740 5.234 1.00 0.00 C ATOM 852 O TYR A 58 -1.139 3.362 4.184 1.00 0.00 O ATOM 853 CB TYR A 58 -2.109 5.749 5.179 1.00 0.00 C ATOM 854 CG TYR A 58 -2.529 7.040 5.844 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.840 8.223 5.606 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.613 7.076 6.712 1.00 0.00 C ATOM 857 CE1 TYR A 58 -2.220 9.405 6.212 1.00 0.00 C ATOM 858 CE2 TYR A 58 -4.001 8.254 7.321 1.00 0.00 C ATOM 859 CZ TYR A 58 -3.301 9.415 7.069 1.00 0.00 C ATOM 860 OH TYR A 58 -3.684 10.590 7.675 1.00 0.00 O ATOM 0 H TYR A 58 0.119 6.675 4.602 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.856 5.152 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.995 5.922 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.904 5.013 5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.993 8.218 4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.162 6.168 6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.674 10.316 6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.848 8.265 7.991 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.463 10.425 8.246 1.00 0.00 H new ATOM 870 N THR A 59 0.128 2.948 5.997 1.00 0.00 N ATOM 871 CA THR A 59 0.386 1.559 5.635 1.00 0.00 C ATOM 872 C THR A 59 -0.828 0.683 5.922 1.00 0.00 C ATOM 873 O THR A 59 -1.153 0.414 7.078 1.00 0.00 O ATOM 874 CB THR A 59 1.602 0.997 6.394 1.00 0.00 C ATOM 875 OG1 THR A 59 2.706 1.903 6.291 1.00 0.00 O ATOM 876 CG2 THR A 59 2.003 -0.363 5.842 1.00 0.00 C ATOM 0 H THR A 59 0.565 3.245 6.870 1.00 0.00 H new ATOM 0 HA THR A 59 0.597 1.544 4.566 1.00 0.00 H new ATOM 0 HB THR A 59 1.326 0.880 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.059 1.886 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.864 -0.740 6.394 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.171 -1.059 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.262 -0.266 4.788 1.00 0.00 H new ATOM 884 N TYR A 60 -1.494 0.238 4.862 1.00 0.00 N ATOM 885 CA TYR A 60 -2.674 -0.608 5.000 1.00 0.00 C ATOM 886 C TYR A 60 -2.292 -2.084 4.966 1.00 0.00 C ATOM 887 O TYR A 60 -1.164 -2.438 4.623 1.00 0.00 O ATOM 888 CB TYR A 60 -3.679 -0.303 3.888 1.00 0.00 C ATOM 889 CG TYR A 60 -4.432 0.992 4.090 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.412 1.104 5.069 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.163 2.105 3.303 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.103 2.285 5.256 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.848 3.291 3.484 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.817 3.376 4.462 1.00 0.00 C ATOM 895 OH TYR A 60 -6.502 4.555 4.646 1.00 0.00 O ATOM 0 H TYR A 60 -1.237 0.449 3.898 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.134 -0.393 5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.152 -0.262 2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.394 -1.123 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.637 0.253 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.405 2.042 2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.863 2.354 6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.626 4.147 2.863 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.926 5.309 4.402 1.00 0.00 H new ATOM 905 N ARG A 61 -3.242 -2.942 5.325 1.00 0.00 N ATOM 906 CA ARG A 61 -3.007 -4.381 5.336 1.00 0.00 C ATOM 907 C ARG A 61 -4.041 -5.108 4.482 1.00 0.00 C ATOM 908 O ARG A 61 -5.232 -4.800 4.535 1.00 0.00 O ATOM 909 CB ARG A 61 -3.048 -4.915 6.769 1.00 0.00 C ATOM 910 CG ARG A 61 -4.288 -4.493 7.541 1.00 0.00 C ATOM 911 CD ARG A 61 -4.591 -5.457 8.677 1.00 0.00 C ATOM 912 NE ARG A 61 -5.322 -4.810 9.763 1.00 0.00 N ATOM 913 CZ ARG A 61 -4.814 -3.840 10.515 1.00 0.00 C ATOM 914 NH1 ARG A 61 -3.579 -3.407 10.299 1.00 0.00 N ATOM 915 NH2 ARG A 61 -5.541 -3.300 11.485 1.00 0.00 N ATOM 0 H ARG A 61 -4.181 -2.666 5.612 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.019 -4.565 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.999 -6.004 6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.163 -4.569 7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.144 -3.490 7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.141 -4.447 6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.175 -6.295 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.658 -5.868 9.062 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.275 -5.120 9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.017 -3.819 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.191 -2.662 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.491 -3.630 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.149 -2.555 12.062 1.00 0.00 H new ATOM 929 N ILE A 62 -3.577 -6.073 3.694 1.00 0.00 N ATOM 930 CA ILE A 62 -4.462 -6.843 2.829 1.00 0.00 C ATOM 931 C ILE A 62 -4.356 -8.336 3.124 1.00 0.00 C ATOM 932 O ILE A 62 -3.447 -9.012 2.642 1.00 0.00 O ATOM 933 CB ILE A 62 -4.145 -6.602 1.342 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.236 -5.110 1.014 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.095 -7.401 0.462 1.00 0.00 C ATOM 936 CD1 ILE A 62 -2.930 -4.370 1.204 1.00 0.00 C ATOM 0 H ILE A 62 -2.594 -6.340 3.637 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.478 -6.505 3.035 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.127 -6.938 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.564 -4.992 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.999 -4.653 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.858 -7.220 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.987 -8.463 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.121 -7.093 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.068 -3.318 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.610 -4.457 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.169 -4.801 0.553 1.00 0.00 H new ATOM 948 N LEU A 63 -5.293 -8.844 3.917 1.00 0.00 N ATOM 949 CA LEU A 63 -5.308 -10.258 4.275 1.00 0.00 C ATOM 950 C LEU A 63 -6.233 -11.044 3.353 1.00 0.00 C ATOM 951 O LEU A 63 -7.246 -10.537 2.870 1.00 0.00 O ATOM 952 CB LEU A 63 -5.750 -10.432 5.729 1.00 0.00 C ATOM 953 CG LEU A 63 -4.746 -9.990 6.794 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.608 -10.993 6.904 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.207 -8.603 6.476 1.00 0.00 C ATOM 0 H LEU A 63 -6.052 -8.298 4.324 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.296 -10.647 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.674 -9.873 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.984 -11.484 5.893 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.260 -9.947 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.903 -10.662 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.008 -11.969 7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.096 -11.068 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.494 -8.305 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.710 -8.619 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.031 -7.890 6.449 1.00 0.00 H new ATOM 967 N PRO A 64 -5.881 -12.314 3.102 1.00 0.00 N ATOM 968 CA PRO A 64 -6.668 -13.198 2.238 1.00 0.00 C ATOM 969 C PRO A 64 -8.000 -13.590 2.868 1.00 0.00 C ATOM 970 O PRO A 64 -8.039 -14.334 3.847 1.00 0.00 O ATOM 971 CB PRO A 64 -5.771 -14.428 2.077 1.00 0.00 C ATOM 972 CG PRO A 64 -4.908 -14.429 3.291 1.00 0.00 C ATOM 973 CD PRO A 64 -4.686 -12.984 3.643 1.00 0.00 C ATOM 0 HA PRO A 64 -6.930 -12.718 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.361 -15.342 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.174 -14.366 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.390 -14.961 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.961 -14.933 3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.598 -12.842 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.771 -12.597 3.195 1.00 0.00 H new ATOM 981 N ASN A 65 -9.090 -13.083 2.301 1.00 0.00 N ATOM 982 CA ASN A 65 -10.424 -13.380 2.809 1.00 0.00 C ATOM 983 C ASN A 65 -10.730 -14.871 2.696 1.00 0.00 C ATOM 984 O ASN A 65 -9.970 -15.626 2.090 1.00 0.00 O ATOM 985 CB ASN A 65 -11.475 -12.574 2.043 1.00 0.00 C ATOM 986 CG ASN A 65 -12.813 -12.541 2.758 1.00 0.00 C ATOM 987 OD1 ASN A 65 -12.948 -11.928 3.817 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.808 -13.204 2.181 1.00 0.00 N ATOM 0 H ASN A 65 -9.075 -12.465 1.490 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.455 -13.099 3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.116 -11.554 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.607 -13.005 1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.731 -13.219 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.650 -13.698 1.303 1.00 0.00 H new ATOM 995 N GLU A 66 -11.847 -15.287 3.284 1.00 0.00 N ATOM 996 CA GLU A 66 -12.253 -16.687 3.250 1.00 0.00 C ATOM 997 C GLU A 66 -11.928 -17.314 1.897 1.00 0.00 C ATOM 998 O GLU A 66 -11.223 -18.320 1.820 1.00 0.00 O ATOM 999 CB GLU A 66 -13.750 -16.815 3.538 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.252 -18.249 3.523 1.00 0.00 C ATOM 1001 CD GLU A 66 -15.750 -18.340 3.303 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -16.249 -17.705 2.351 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -16.423 -19.046 4.083 1.00 0.00 O ATOM 0 H GLU A 66 -12.487 -14.674 3.790 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.696 -17.219 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.963 -16.375 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.304 -16.237 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.739 -18.802 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.997 -18.729 4.468 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.449 -16.713 0.833 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.215 -17.211 -0.518 1.00 0.00 C ATOM 1012 C ASP A 67 -10.896 -16.681 -1.071 1.00 0.00 C ATOM 1013 O ASP A 67 -10.791 -16.365 -2.256 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.368 -16.808 -1.439 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.650 -17.552 -1.122 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -14.730 -18.757 -1.439 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.573 -16.929 -0.557 1.00 0.00 O ATOM 0 H ASP A 67 -13.036 -15.880 0.880 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.159 -18.299 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.542 -15.736 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.086 -17.000 -2.474 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.893 -16.587 -0.206 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.580 -16.096 -0.608 1.00 0.00 C ATOM 1024 C ASP A 68 -8.709 -14.856 -1.488 1.00 0.00 C ATOM 1025 O ASP A 68 -7.980 -14.697 -2.467 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.810 -17.187 -1.353 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.059 -18.110 -0.414 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.127 -17.634 0.267 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.404 -19.309 -0.359 1.00 0.00 O ATOM 0 H ASP A 68 -9.964 -16.844 0.778 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.030 -15.824 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.506 -17.773 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.105 -16.723 -2.043 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.643 -13.980 -1.133 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.870 -12.754 -1.889 1.00 0.00 C ATOM 1036 C LYS A 69 -9.045 -11.604 -1.320 1.00 0.00 C ATOM 1037 O LYS A 69 -8.799 -11.540 -0.116 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.356 -12.388 -1.873 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.232 -13.368 -2.633 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.207 -13.097 -4.127 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.603 -14.330 -4.925 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.081 -14.471 -5.030 1.00 0.00 N ATOM 0 H LYS A 69 -10.255 -14.097 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.557 -12.928 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.697 -12.335 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.481 -11.394 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.892 -14.386 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.257 -13.300 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.887 -12.278 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.208 -12.776 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.172 -14.270 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.186 -15.219 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.310 -15.323 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.490 -14.554 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.477 -13.635 -5.505 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.623 -10.696 -2.194 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.827 -9.547 -1.778 1.00 0.00 C ATOM 1058 C PHE A 70 -8.720 -8.430 -1.246 1.00 0.00 C ATOM 1059 O PHE A 70 -9.535 -7.868 -1.979 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.987 -9.031 -2.948 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.818 -9.914 -3.283 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -4.767 -10.060 -2.392 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -5.772 -10.597 -4.487 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.690 -10.871 -2.698 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -4.698 -11.410 -4.798 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.656 -11.547 -3.902 1.00 0.00 C ATOM 0 H PHE A 70 -8.819 -10.734 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.162 -9.869 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.624 -8.936 -3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.621 -8.032 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.789 -9.535 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.584 -10.493 -5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.876 -10.976 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.674 -11.937 -5.740 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.816 -12.182 -4.142 1.00 0.00 H new ATOM 1076 N THR A 71 -8.561 -8.113 0.035 1.00 0.00 N ATOM 1077 CA THR A 71 -9.353 -7.065 0.666 1.00 0.00 C ATOM 1078 C THR A 71 -8.528 -6.293 1.689 1.00 0.00 C ATOM 1079 O THR A 71 -7.671 -6.860 2.367 1.00 0.00 O ATOM 1080 CB THR A 71 -10.600 -7.644 1.361 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.385 -6.586 1.922 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.203 -8.623 2.456 1.00 0.00 C ATOM 0 H THR A 71 -7.891 -8.567 0.656 1.00 0.00 H new ATOM 0 HA THR A 71 -9.670 -6.388 -0.127 1.00 0.00 H new ATOM 0 HB THR A 71 -11.190 -8.176 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.127 -6.373 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.100 -9.019 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.631 -9.443 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.593 -8.110 3.200 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.792 -4.994 1.797 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.074 -4.144 2.740 1.00 0.00 C ATOM 1092 C VAL A 72 -8.884 -3.931 4.014 1.00 0.00 C ATOM 1093 O VAL A 72 -10.049 -3.538 3.962 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.743 -2.773 2.119 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -6.961 -1.917 3.103 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -6.970 -2.949 0.821 1.00 0.00 C ATOM 0 H VAL A 72 -9.497 -4.508 1.243 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.144 -4.657 2.986 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.678 -2.261 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.736 -0.953 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.555 -1.763 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.030 -2.421 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.745 -1.971 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.040 -3.481 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.571 -3.522 0.114 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.258 -4.193 5.157 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.920 -4.029 6.445 1.00 0.00 C ATOM 1108 C GLN A 73 -8.735 -2.612 6.977 1.00 0.00 C ATOM 1109 O GLN A 73 -7.718 -2.298 7.594 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.375 -5.041 7.455 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.738 -6.481 7.129 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.453 -7.428 8.278 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -7.438 -7.305 8.963 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.352 -8.382 8.496 1.00 0.00 N ATOM 0 H GLN A 73 -7.294 -4.520 5.217 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.986 -4.207 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.290 -4.950 7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.756 -4.794 8.446 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.796 -6.536 6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.179 -6.803 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.180 -8.448 7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.214 -9.049 9.256 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.725 -1.760 6.733 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.672 -0.376 7.189 1.00 0.00 C ATOM 1125 C ALA A 74 -10.650 -0.137 8.334 1.00 0.00 C ATOM 1126 O ALA A 74 -10.247 0.211 9.444 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.966 0.571 6.035 1.00 0.00 C ATOM 0 H ALA A 74 -10.574 -2.004 6.222 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.666 -0.180 7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.923 1.601 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.225 0.427 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.960 0.365 5.639 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.646 -5.032 0.793 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.735 -5.713 -0.493 1.00 0.00 C ATOM 1212 C ARG A 81 -14.526 -6.618 -0.714 1.00 0.00 C ATOM 1213 O ARG A 81 -13.418 -6.310 -0.274 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.835 -4.693 -1.629 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.255 -4.222 -1.901 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.357 -3.507 -3.239 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.745 -3.265 -3.626 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.126 -3.006 -4.871 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -18.228 -2.955 -5.846 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.408 -2.797 -5.144 1.00 0.00 N ATOM 0 HA ARG A 81 -16.634 -6.330 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.215 -3.830 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.427 -5.133 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.931 -5.077 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.577 -3.552 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.825 -2.557 -3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.865 -4.104 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.460 -3.297 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.242 -3.115 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.524 -2.756 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.101 -2.835 -4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.700 -2.598 -6.101 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.748 -7.736 -1.397 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.678 -8.687 -1.675 1.00 0.00 C ATOM 1236 C PHE A 82 -13.398 -8.768 -3.173 1.00 0.00 C ATOM 1237 O PHE A 82 -14.256 -9.174 -3.956 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.046 -10.072 -1.139 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.512 -10.058 0.289 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -13.605 -9.908 1.326 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -15.856 -10.193 0.595 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -14.030 -9.894 2.641 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.288 -10.180 1.908 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.373 -10.031 2.932 1.00 0.00 C ATOM 0 H PHE A 82 -15.659 -8.006 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.776 -8.338 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.830 -10.498 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.179 -10.728 -1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.554 -9.801 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.575 -10.310 -0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.313 -9.776 3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.339 -10.286 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.707 -10.022 3.959 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.189 -8.377 -3.564 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.794 -8.403 -4.967 1.00 0.00 C ATOM 1256 C PHE A 83 -11.018 -9.677 -5.291 1.00 0.00 C ATOM 1257 O PHE A 83 -10.611 -10.415 -4.393 1.00 0.00 O ATOM 1258 CB PHE A 83 -10.945 -7.176 -5.303 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.502 -5.893 -4.756 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.268 -5.525 -3.441 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.262 -5.055 -5.557 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -11.779 -4.345 -2.935 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -12.775 -3.874 -5.057 1.00 0.00 C ATOM 1264 CZ PHE A 83 -12.535 -3.519 -3.743 1.00 0.00 C ATOM 0 H PHE A 83 -11.466 -8.039 -2.929 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.700 -8.386 -5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -9.939 -7.322 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.856 -7.091 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -10.679 -6.168 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.455 -5.329 -6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -11.587 -4.069 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.363 -3.228 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 83 -12.938 -2.598 -3.349 1.00 0.00 H new ATOM 1274 N THR A 84 -10.817 -9.929 -6.580 1.00 0.00 N ATOM 1275 CA THR A 84 -10.092 -11.113 -7.024 1.00 0.00 C ATOM 1276 C THR A 84 -8.669 -10.762 -7.440 1.00 0.00 C ATOM 1277 O THR A 84 -7.714 -11.437 -7.055 1.00 0.00 O ATOM 1278 CB THR A 84 -10.806 -11.800 -8.203 1.00 0.00 C ATOM 1279 OG1 THR A 84 -12.159 -12.106 -7.847 1.00 0.00 O ATOM 1280 CG2 THR A 84 -10.081 -13.075 -8.606 1.00 0.00 C ATOM 0 H THR A 84 -11.146 -9.328 -7.336 1.00 0.00 H new ATOM 0 HA THR A 84 -10.061 -11.800 -6.179 1.00 0.00 H new ATOM 0 HB THR A 84 -10.801 -11.115 -9.051 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.606 -12.541 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.604 -13.543 -9.440 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.061 -12.834 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.058 -13.763 -7.761 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.533 -9.702 -8.230 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.225 -9.259 -8.698 1.00 0.00 C ATOM 1290 C LYS A 85 -6.735 -8.060 -7.892 1.00 0.00 C ATOM 1291 O LYS A 85 -7.460 -7.080 -7.716 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.288 -8.897 -10.184 1.00 0.00 C ATOM 1293 CG LYS A 85 -7.938 -9.967 -11.043 1.00 0.00 C ATOM 1294 CD LYS A 85 -6.926 -11.002 -11.506 1.00 0.00 C ATOM 1295 CE LYS A 85 -6.771 -12.123 -10.491 1.00 0.00 C ATOM 1296 NZ LYS A 85 -6.123 -13.325 -11.086 1.00 0.00 N ATOM 0 H LYS A 85 -9.313 -9.134 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.521 -10.079 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.841 -7.965 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.277 -8.715 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.729 -10.458 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.408 -9.503 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.241 -11.418 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.961 -10.522 -11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.177 -11.770 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.751 -12.395 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.036 -14.066 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.703 -13.677 -11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.178 -13.071 -11.438 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.502 -8.144 -7.406 1.00 0.00 N ATOM 1311 CA LEU A 86 -4.915 -7.064 -6.619 1.00 0.00 C ATOM 1312 C LEU A 86 -5.196 -5.709 -7.260 1.00 0.00 C ATOM 1313 O LEU A 86 -5.520 -4.741 -6.572 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.406 -7.272 -6.478 1.00 0.00 C ATOM 1315 CG LEU A 86 -2.770 -6.727 -5.199 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.142 -5.266 -4.999 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.196 -7.556 -3.996 1.00 0.00 C ATOM 0 H LEU A 86 -4.889 -8.948 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.371 -7.078 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.200 -8.341 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.914 -6.806 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.687 -6.795 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.680 -4.895 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.787 -4.681 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.225 -5.174 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.734 -7.154 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.281 -7.520 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.879 -8.590 -4.136 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.070 -5.648 -8.581 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.313 -4.412 -9.316 1.00 0.00 C ATOM 1331 C ASP A 87 -6.760 -3.956 -9.150 1.00 0.00 C ATOM 1332 O ASP A 87 -7.021 -2.836 -8.712 1.00 0.00 O ATOM 1333 CB ASP A 87 -4.993 -4.604 -10.800 1.00 0.00 C ATOM 1334 CG ASP A 87 -5.607 -5.869 -11.365 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -4.974 -6.939 -11.249 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.721 -5.789 -11.924 1.00 0.00 O ATOM 0 H ASP A 87 -4.801 -6.440 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.659 -3.641 -8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.358 -3.744 -11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.912 -4.637 -10.934 1.00 0.00 H new ATOM 1341 N GLN A 88 -7.695 -4.832 -9.504 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.115 -4.519 -9.396 1.00 0.00 C ATOM 1343 C GLN A 88 -9.403 -3.736 -8.119 1.00 0.00 C ATOM 1344 O GLN A 88 -10.247 -2.838 -8.106 1.00 0.00 O ATOM 1345 CB GLN A 88 -9.945 -5.803 -9.419 1.00 0.00 C ATOM 1346 CG GLN A 88 -9.835 -6.576 -10.723 1.00 0.00 C ATOM 1347 CD GLN A 88 -10.856 -6.132 -11.753 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.009 -5.856 -11.421 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -10.436 -6.061 -13.011 1.00 0.00 N ATOM 0 H GLN A 88 -7.495 -5.764 -9.868 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.392 -3.901 -10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.628 -6.446 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.991 -5.553 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.833 -6.449 -11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.966 -7.639 -10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.471 -6.299 -13.241 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.078 -5.768 -13.747 1.00 0.00 H new ATOM 1358 N LEU A 89 -8.698 -4.080 -7.047 1.00 0.00 N ATOM 1359 CA LEU A 89 -8.879 -3.409 -5.765 1.00 0.00 C ATOM 1360 C LEU A 89 -8.385 -1.968 -5.830 1.00 0.00 C ATOM 1361 O LEU A 89 -9.137 -1.031 -5.559 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.135 -4.166 -4.662 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.271 -3.597 -3.249 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.184 -4.710 -2.216 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.203 -2.544 -2.993 1.00 0.00 C ATOM 0 H LEU A 89 -7.996 -4.820 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.945 -3.398 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.490 -5.196 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.076 -4.196 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.248 -3.123 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.283 -4.287 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.986 -5.428 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.221 -5.213 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.315 -2.150 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.216 -2.994 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.312 -1.733 -3.713 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.118 -1.797 -6.192 1.00 0.00 N ATOM 1378 CA ILE A 90 -6.526 -0.469 -6.297 1.00 0.00 C ATOM 1379 C ILE A 90 -7.445 0.485 -7.051 1.00 0.00 C ATOM 1380 O ILE A 90 -7.841 1.525 -6.527 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.160 -0.517 -7.006 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.221 -1.488 -6.287 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -4.546 0.874 -7.066 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.182 -1.292 -4.787 1.00 0.00 C ATOM 0 H ILE A 90 -6.482 -2.562 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.386 -0.105 -5.279 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.309 -0.873 -8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.533 -2.510 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.214 -1.370 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.581 0.824 -7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.209 1.541 -7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.408 1.255 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.496 -2.014 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.841 -0.282 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.180 -1.439 -4.375 1.00 0.00 H new ATOM 1396 N GLU A 91 -7.782 0.122 -8.285 1.00 0.00 N ATOM 1397 CA GLU A 91 -8.656 0.946 -9.112 1.00 0.00 C ATOM 1398 C GLU A 91 -9.962 1.252 -8.385 1.00 0.00 C ATOM 1399 O GLU A 91 -10.499 2.355 -8.487 1.00 0.00 O ATOM 1400 CB GLU A 91 -8.950 0.245 -10.439 1.00 0.00 C ATOM 1401 CG GLU A 91 -7.709 -0.019 -11.276 1.00 0.00 C ATOM 1402 CD GLU A 91 -7.265 1.199 -12.062 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -8.134 1.865 -12.663 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -6.050 1.486 -12.076 1.00 0.00 O ATOM 0 H GLU A 91 -7.463 -0.737 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.143 1.886 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.450 -0.702 -10.237 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.644 0.855 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.897 -0.341 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.908 -0.839 -11.966 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.470 0.266 -7.652 1.00 0.00 N ATOM 1412 CA PHE A 92 -11.714 0.427 -6.910 1.00 0.00 C ATOM 1413 C PHE A 92 -11.559 1.474 -5.810 1.00 0.00 C ATOM 1414 O PHE A 92 -12.494 2.215 -5.507 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.147 -0.908 -6.302 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.222 -0.773 -5.261 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -12.932 -0.248 -4.011 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -14.521 -1.169 -5.533 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -13.920 -0.124 -3.052 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -15.513 -1.046 -4.577 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.211 -0.522 -3.336 1.00 0.00 C ATOM 0 H PHE A 92 -10.038 -0.653 -7.556 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.481 0.767 -7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.503 -1.562 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.279 -1.393 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.924 0.067 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -14.762 -1.579 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -13.682 0.284 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.522 -1.359 -4.801 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.984 -0.424 -2.588 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.372 1.527 -5.216 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.094 2.480 -4.147 1.00 0.00 C ATOM 1433 C TYR A 93 -9.550 3.788 -4.712 1.00 0.00 C ATOM 1434 O TYR A 93 -8.616 4.374 -4.163 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.096 1.885 -3.153 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.739 1.023 -2.091 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.386 1.594 -1.002 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.700 -0.364 -2.176 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.975 0.810 -0.028 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.288 -1.156 -1.208 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.923 -0.564 -0.137 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.508 -1.350 0.830 1.00 0.00 O ATOM 0 H TYR A 93 -9.587 0.922 -5.456 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.030 2.691 -3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.364 1.289 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.550 2.696 -2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.429 2.670 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.202 -0.831 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.473 1.270 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.250 -2.232 -1.290 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.383 -2.295 0.603 1.00 0.00 H new ATOM 1452 N LYS A 94 -10.140 4.241 -5.813 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.718 5.481 -6.453 1.00 0.00 C ATOM 1454 C LYS A 94 -10.790 6.557 -6.316 1.00 0.00 C ATOM 1455 O LYS A 94 -10.504 7.750 -6.417 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.411 5.236 -7.933 1.00 0.00 C ATOM 1457 CG LYS A 94 -8.135 4.447 -8.167 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.734 4.458 -9.633 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.317 3.940 -9.827 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.766 4.319 -11.157 1.00 0.00 N ATOM 0 H LYS A 94 -10.913 3.767 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.814 5.829 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.247 4.702 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.333 6.196 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.330 4.869 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.276 3.418 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.429 3.844 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.808 5.473 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.674 4.337 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.310 2.855 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.733 3.480 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.374 5.042 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.806 4.700 -11.039 1.00 0.00 H new ATOM 1474 N LYS A 95 -12.026 6.128 -6.085 1.00 0.00 N ATOM 1475 CA LYS A 95 -13.142 7.054 -5.932 1.00 0.00 C ATOM 1476 C LYS A 95 -13.072 7.771 -4.587 1.00 0.00 C ATOM 1477 O LYS A 95 -13.092 7.136 -3.534 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.472 6.307 -6.055 1.00 0.00 C ATOM 1479 CG LYS A 95 -15.598 7.158 -6.616 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.543 7.225 -8.134 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.333 6.092 -8.770 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.802 6.281 -8.609 1.00 0.00 N ATOM 0 H LYS A 95 -12.280 5.144 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 95 -13.076 7.798 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.332 5.436 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.763 5.936 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.557 6.746 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.534 8.165 -6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.941 8.182 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.505 7.177 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.089 6.030 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.037 5.145 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.306 5.682 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.082 6.015 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.044 7.278 -8.777 1.00 0.00 H new ATOM 1549 N LEU A 100 -10.060 5.563 0.455 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.857 5.593 1.280 1.00 0.00 C ATOM 1551 C LEU A 100 -8.533 7.017 1.720 1.00 0.00 C ATOM 1552 O LEU A 100 -9.140 7.978 1.246 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.673 5.003 0.512 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.680 3.484 0.332 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.646 3.065 -0.701 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.422 2.789 1.661 1.00 0.00 C ATOM 0 HA LEU A 100 -9.042 4.991 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.639 5.466 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.755 5.284 1.028 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.664 3.184 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.665 1.981 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.875 3.535 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.655 3.377 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.430 1.709 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.450 3.095 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.200 3.065 2.373 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.571 7.147 2.628 1.00 0.00 N ATOM 1569 CA VAL A 101 -7.164 8.454 3.129 1.00 0.00 C ATOM 1570 C VAL A 101 -7.245 9.512 2.035 1.00 0.00 C ATOM 1571 O VAL A 101 -7.826 10.580 2.230 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.729 8.418 3.688 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.746 7.989 2.610 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -5.347 9.775 4.260 1.00 0.00 C ATOM 0 H VAL A 101 -7.059 6.363 3.032 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.853 8.714 3.933 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.690 7.685 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.738 7.970 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.010 6.994 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.784 8.695 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.330 9.732 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.403 10.529 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.034 10.037 5.065 1.00 0.00 H new ATOM 1584 N THR A 102 -6.659 9.208 0.881 1.00 0.00 N ATOM 1585 CA THR A 102 -6.665 10.133 -0.246 1.00 0.00 C ATOM 1586 C THR A 102 -6.910 9.398 -1.559 1.00 0.00 C ATOM 1587 O THR A 102 -6.357 8.323 -1.793 1.00 0.00 O ATOM 1588 CB THR A 102 -5.336 10.906 -0.344 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.417 11.889 -1.383 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.178 9.960 -0.622 1.00 0.00 C ATOM 0 H THR A 102 -6.174 8.329 0.702 1.00 0.00 H new ATOM 0 HA THR A 102 -7.476 10.840 -0.071 1.00 0.00 H new ATOM 0 HB THR A 102 -5.158 11.401 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.569 12.377 -1.438 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.251 10.529 -0.687 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.101 9.232 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.351 9.440 -1.564 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.742 9.985 -2.413 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.059 9.387 -3.705 1.00 0.00 C ATOM 1600 C HIS A 103 -6.797 9.194 -4.540 1.00 0.00 C ATOM 1601 O HIS A 103 -6.204 10.161 -5.020 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.058 10.260 -4.464 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.699 11.714 -4.471 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.873 12.537 -3.379 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.170 12.490 -5.445 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.469 13.758 -3.682 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.037 13.756 -4.930 1.00 0.00 N ATOM 0 H HIS A 103 -8.209 10.874 -2.234 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.506 8.410 -3.524 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.128 9.907 -5.493 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.045 10.140 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.902 12.173 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.489 14.612 -3.021 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.665 14.563 -5.430 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.390 7.941 -4.707 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.197 7.621 -5.484 1.00 0.00 C ATOM 1618 C LEU A 104 -5.045 8.573 -6.666 1.00 0.00 C ATOM 1619 O LEU A 104 -5.780 8.479 -7.648 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.261 6.177 -5.983 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.615 5.120 -4.936 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.474 3.722 -5.519 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.738 5.276 -3.702 1.00 0.00 C ATOM 0 H LEU A 104 -6.868 7.130 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.329 7.736 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.995 6.124 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.295 5.920 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.654 5.265 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.730 2.983 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.145 3.614 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.446 3.566 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.004 4.515 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.691 5.159 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.890 6.265 -3.271 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.085 9.487 -6.564 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.836 10.455 -7.625 1.00 0.00 C ATOM 1637 C GLN A 105 -2.788 9.934 -8.602 1.00 0.00 C ATOM 1638 O GLN A 105 -3.101 9.599 -9.745 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.379 11.789 -7.032 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.510 12.602 -6.422 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.106 14.034 -6.130 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -3.544 14.719 -6.984 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.392 14.494 -4.917 1.00 0.00 N ATOM 0 H GLN A 105 -3.467 9.577 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.769 10.608 -8.168 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.626 11.598 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.898 12.379 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.362 12.600 -7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.838 12.125 -5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.859 13.891 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.145 15.450 -4.663 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.542 9.868 -8.146 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.446 9.390 -8.981 1.00 0.00 C ATOM 1654 C TYR A 106 0.132 8.090 -8.429 1.00 0.00 C ATOM 1655 O TYR A 106 0.651 8.035 -7.314 1.00 0.00 O ATOM 1656 CB TYR A 106 0.652 10.451 -9.073 1.00 0.00 C ATOM 1657 CG TYR A 106 0.135 11.868 -8.967 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.645 12.421 -9.975 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.427 12.653 -7.858 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.118 13.716 -9.882 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.043 13.948 -7.757 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.815 14.475 -8.771 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.285 15.765 -8.675 1.00 0.00 O ATOM 0 H TYR A 106 -1.266 10.140 -7.202 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.840 9.197 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.380 10.278 -8.280 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.179 10.335 -10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.886 11.829 -10.846 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.031 12.244 -7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.722 14.132 -10.675 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.193 14.545 -6.888 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.101 15.776 -8.132 1.00 0.00 H new ATOM 1673 N PRO A 107 0.041 7.018 -9.229 1.00 0.00 N ATOM 1674 CA PRO A 107 0.550 5.698 -8.844 1.00 0.00 C ATOM 1675 C PRO A 107 2.073 5.655 -8.797 1.00 0.00 C ATOM 1676 O PRO A 107 2.729 5.414 -9.811 1.00 0.00 O ATOM 1677 CB PRO A 107 0.023 4.778 -9.949 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.166 5.671 -11.126 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.566 7.010 -10.571 1.00 0.00 C ATOM 0 HA PRO A 107 0.227 5.413 -7.843 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.730 3.978 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.914 4.304 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.752 5.749 -11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.934 5.280 -11.793 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.192 7.828 -11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.650 7.118 -10.523 1.00 0.00 H new ATOM 1687 N VAL A 108 2.631 5.891 -7.613 1.00 0.00 N ATOM 1688 CA VAL A 108 4.078 5.878 -7.434 1.00 0.00 C ATOM 1689 C VAL A 108 4.727 4.785 -8.277 1.00 0.00 C ATOM 1690 O VAL A 108 4.743 3.610 -7.910 1.00 0.00 O ATOM 1691 CB VAL A 108 4.459 5.664 -5.957 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.968 5.731 -5.779 1.00 0.00 C ATOM 1693 CG2 VAL A 108 3.763 6.690 -5.075 1.00 0.00 C ATOM 0 H VAL A 108 2.103 6.093 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 108 4.445 6.851 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 108 4.126 4.671 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.218 5.578 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.440 4.955 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.329 6.709 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.043 6.525 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.064 7.693 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.683 6.588 -5.181 1.00 0.00 H new ATOM 1703 N PRO A 109 5.275 5.180 -9.436 1.00 0.00 N ATOM 1704 CA PRO A 109 5.937 4.250 -10.356 1.00 0.00 C ATOM 1705 C PRO A 109 7.254 3.722 -9.798 1.00 0.00 C ATOM 1706 O PRO A 109 7.941 4.411 -9.042 1.00 0.00 O ATOM 1707 CB PRO A 109 6.187 5.102 -11.603 1.00 0.00 C ATOM 1708 CG PRO A 109 6.245 6.502 -11.099 1.00 0.00 C ATOM 1709 CD PRO A 109 5.293 6.564 -9.937 1.00 0.00 C ATOM 0 HA PRO A 109 5.332 3.363 -10.544 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.117 4.820 -12.095 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.389 4.977 -12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.257 6.763 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.957 7.209 -11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.635 7.263 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.301 6.892 -10.247 1.00 0.00 H new ATOM 1717 N LEU A 110 7.603 2.497 -10.176 1.00 0.00 N ATOM 1718 CA LEU A 110 8.840 1.877 -9.714 1.00 0.00 C ATOM 1719 C LEU A 110 9.996 2.870 -9.756 1.00 0.00 C ATOM 1720 O LEU A 110 9.892 3.932 -10.370 1.00 0.00 O ATOM 1721 CB LEU A 110 9.171 0.654 -10.571 1.00 0.00 C ATOM 1722 CG LEU A 110 8.016 -0.310 -10.842 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.484 -1.478 -11.696 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.419 -0.808 -9.534 1.00 0.00 C ATOM 0 H LEU A 110 7.047 1.914 -10.801 1.00 0.00 H new ATOM 0 HA LEU A 110 8.695 1.561 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.560 1.001 -11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.973 0.100 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 110 7.242 0.226 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.648 -2.153 -11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.863 -1.104 -12.647 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.277 -2.015 -11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.598 -1.493 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.185 -1.327 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.045 0.039 -8.959 1.00 0.00 H new