USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl -120:sc= -0.541 (180deg=-4.4!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.678 K(o=0.036,f=-1.7) USER MOD Set 2.2: A 73 TYR OH : rot 111:sc= 0.647 USER MOD Set 2.3: A 90 MET CE :methyl 178:sc= -1.29 (180deg=-1.3) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0.0148 USER MOD Set 3.2: A 32 ASN : amide:sc= -0.505 K(o=-0.39,f=-1.2) USER MOD Set 3.3: A 36 SER OG : rot -90:sc= 0.0991 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -63:sc= -2.59 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -80:sc= 0.524 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0899 USER MOD Single : A 39 ASN : amide:sc= 0.117! C(o=0.12!,f=-9.2!) USER MOD Single : A 42 SER OG : rot 110:sc= 0.889 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.223 USER MOD Single : A 48 HIS : no HD1:sc= -8.59! C(o=-8.6!,f=-7.3!) USER MOD Single : A 49 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-3.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -145:sc=-0.00837 (180deg=-0.97) USER MOD Single : A 59 SER OG : rot -59:sc= 1.15 USER MOD Single : A 61 ASN : amide:sc= -2.99! C(o=-3!,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.73! C(o=-2.7!,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -0.727 (180deg=-1.88) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.198 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 111 HIS : no HD1:sc= -7.12! C(o=-7.1!,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.814 1.051 -9.051 1.00 0.00 N ATOM 116 CA GLN A 12 10.930 0.326 -9.956 1.00 0.00 C ATOM 117 C GLN A 12 10.369 -0.923 -9.284 1.00 0.00 C ATOM 118 O GLN A 12 9.167 -1.184 -9.342 1.00 0.00 O ATOM 119 CB GLN A 12 11.680 -0.061 -11.233 1.00 0.00 C ATOM 120 CG GLN A 12 10.922 -1.046 -12.108 1.00 0.00 C ATOM 121 CD GLN A 12 11.586 -1.262 -13.454 1.00 0.00 C ATOM 122 OE1 GLN A 12 12.579 -0.611 -13.780 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.040 -2.179 -14.243 1.00 0.00 N ATOM 0 HA GLN A 12 10.099 0.982 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.887 0.840 -11.810 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.643 -0.494 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.843 -2.001 -11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.906 -0.682 -12.262 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.217 -2.695 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.443 -2.368 -15.161 1.00 0.00 H new ATOM 132 N SER A 13 11.246 -1.692 -8.648 1.00 0.00 N ATOM 133 CA SER A 13 10.838 -2.916 -7.968 1.00 0.00 C ATOM 134 C SER A 13 9.492 -2.730 -7.276 1.00 0.00 C ATOM 135 O SER A 13 8.502 -3.369 -7.636 1.00 0.00 O ATOM 136 CB SER A 13 11.897 -3.333 -6.945 1.00 0.00 C ATOM 137 OG SER A 13 13.129 -3.631 -7.579 1.00 0.00 O ATOM 0 H SER A 13 12.244 -1.489 -8.589 1.00 0.00 H new ATOM 0 HA SER A 13 10.736 -3.702 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.042 -2.532 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.549 -4.205 -6.391 1.00 0.00 H new ATOM 0 HG SER A 13 13.789 -3.893 -6.904 1.00 0.00 H new ATOM 143 N LEU A 14 9.461 -1.851 -6.281 1.00 0.00 N ATOM 144 CA LEU A 14 8.237 -1.579 -5.537 1.00 0.00 C ATOM 145 C LEU A 14 7.066 -1.338 -6.484 1.00 0.00 C ATOM 146 O LEU A 14 6.052 -2.036 -6.426 1.00 0.00 O ATOM 147 CB LEU A 14 8.428 -0.365 -4.626 1.00 0.00 C ATOM 148 CG LEU A 14 7.382 -0.179 -3.526 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.513 -1.269 -2.474 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.515 1.197 -2.891 1.00 0.00 C ATOM 0 H LEU A 14 10.271 -1.314 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 14 8.012 -2.453 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.409 -0.439 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.437 0.531 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 14 6.392 -0.255 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.760 -1.120 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.366 -2.244 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.506 -1.226 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.763 1.312 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.509 1.302 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.369 1.964 -3.651 1.00 0.00 H new ATOM 162 N LEU A 15 7.213 -0.347 -7.357 1.00 0.00 N ATOM 163 CA LEU A 15 6.168 -0.015 -8.320 1.00 0.00 C ATOM 164 C LEU A 15 5.661 -1.267 -9.028 1.00 0.00 C ATOM 165 O LEU A 15 4.496 -1.345 -9.415 1.00 0.00 O ATOM 166 CB LEU A 15 6.695 0.988 -9.348 1.00 0.00 C ATOM 167 CG LEU A 15 5.646 1.876 -10.018 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.408 3.133 -9.196 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.077 2.235 -11.433 1.00 0.00 C ATOM 0 H LEU A 15 8.045 0.240 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 15 5.337 0.434 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.426 1.631 -8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.225 0.437 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 15 4.710 1.321 -10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.659 3.753 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.055 2.857 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.340 3.692 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.319 2.867 -11.895 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.025 2.771 -11.399 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.196 1.324 -12.019 1.00 0.00 H new ATOM 181 N VAL A 16 6.545 -2.247 -9.191 1.00 0.00 N ATOM 182 CA VAL A 16 6.187 -3.498 -9.849 1.00 0.00 C ATOM 183 C VAL A 16 5.533 -4.466 -8.870 1.00 0.00 C ATOM 184 O VAL A 16 4.592 -5.177 -9.220 1.00 0.00 O ATOM 185 CB VAL A 16 7.419 -4.174 -10.478 1.00 0.00 C ATOM 186 CG1 VAL A 16 7.030 -5.490 -11.135 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.083 -3.244 -11.482 1.00 0.00 C ATOM 0 H VAL A 16 7.514 -2.198 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 16 5.477 -3.249 -10.638 1.00 0.00 H new ATOM 0 HB VAL A 16 8.137 -4.389 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.914 -5.953 -11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.604 -6.158 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.293 -5.303 -11.916 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.952 -3.738 -11.917 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.374 -2.995 -12.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.399 -2.331 -10.978 1.00 0.00 H new ATOM 197 N TRP A 17 6.039 -4.488 -7.642 1.00 0.00 N ATOM 198 CA TRP A 17 5.504 -5.369 -6.611 1.00 0.00 C ATOM 199 C TRP A 17 4.049 -5.030 -6.306 1.00 0.00 C ATOM 200 O TRP A 17 3.205 -5.920 -6.196 1.00 0.00 O ATOM 201 CB TRP A 17 6.343 -5.265 -5.336 1.00 0.00 C ATOM 202 CG TRP A 17 5.933 -6.241 -4.274 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.428 -7.499 -4.083 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.944 -6.038 -3.259 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.806 -8.091 -3.010 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.892 -7.215 -2.487 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.098 -4.976 -2.927 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.027 -7.358 -1.406 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.240 -5.120 -1.853 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.210 -6.303 -1.103 1.00 0.00 C ATOM 0 H TRP A 17 6.819 -3.906 -7.336 1.00 0.00 H new ATOM 0 HA TRP A 17 5.548 -6.392 -6.984 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.391 -5.429 -5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.264 -4.253 -4.939 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.195 -7.961 -4.686 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.994 -9.030 -2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.114 -4.060 -3.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.002 -8.269 -0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.581 -4.306 -1.587 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.528 -6.384 -0.269 1.00 0.00 H new ATOM 221 N CYS A 18 3.762 -3.740 -6.171 1.00 0.00 N ATOM 222 CA CYS A 18 2.408 -3.284 -5.878 1.00 0.00 C ATOM 223 C CYS A 18 1.481 -3.538 -7.063 1.00 0.00 C ATOM 224 O CYS A 18 0.345 -3.980 -6.892 1.00 0.00 O ATOM 225 CB CYS A 18 2.413 -1.795 -5.529 1.00 0.00 C ATOM 226 SG CYS A 18 3.298 -0.761 -6.719 1.00 0.00 S ATOM 0 H CYS A 18 4.449 -2.991 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 18 2.038 -3.849 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.383 -1.446 -5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.864 -1.665 -4.545 1.00 0.00 H new ATOM 0 HG CYS A 18 4.553 -1.100 -6.739 1.00 0.00 H new ATOM 232 N LYS A 19 1.973 -3.254 -8.264 1.00 0.00 N ATOM 233 CA LYS A 19 1.190 -3.451 -9.478 1.00 0.00 C ATOM 234 C LYS A 19 0.967 -4.936 -9.747 1.00 0.00 C ATOM 235 O LYS A 19 -0.101 -5.338 -10.207 1.00 0.00 O ATOM 236 CB LYS A 19 1.894 -2.805 -10.674 1.00 0.00 C ATOM 237 CG LYS A 19 1.875 -1.287 -10.643 1.00 0.00 C ATOM 238 CD LYS A 19 2.973 -0.698 -11.514 1.00 0.00 C ATOM 239 CE LYS A 19 2.492 -0.471 -12.939 1.00 0.00 C ATOM 240 NZ LYS A 19 3.627 -0.359 -13.896 1.00 0.00 N ATOM 0 H LYS A 19 2.911 -2.886 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 19 0.219 -2.976 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.929 -3.147 -10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.419 -3.147 -11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.905 -0.927 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.999 -0.941 -9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.310 0.247 -11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.832 -1.369 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.844 -1.294 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.892 0.438 -12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.258 -0.205 -14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.232 0.442 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.185 -1.236 -13.877 1.00 0.00 H new ATOM 254 N GLU A 20 1.980 -5.744 -9.455 1.00 0.00 N ATOM 255 CA GLU A 20 1.892 -7.185 -9.665 1.00 0.00 C ATOM 256 C GLU A 20 0.754 -7.786 -8.846 1.00 0.00 C ATOM 257 O GLU A 20 -0.147 -8.424 -9.389 1.00 0.00 O ATOM 258 CB GLU A 20 3.215 -7.859 -9.293 1.00 0.00 C ATOM 259 CG GLU A 20 3.355 -9.268 -9.842 1.00 0.00 C ATOM 260 CD GLU A 20 4.217 -10.154 -8.963 1.00 0.00 C ATOM 261 OE1 GLU A 20 4.003 -10.156 -7.733 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.106 -10.843 -9.505 1.00 0.00 O ATOM 0 H GLU A 20 2.871 -5.427 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 20 1.688 -7.360 -10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.040 -7.250 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.304 -7.891 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.366 -9.715 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.788 -9.223 -10.841 1.00 0.00 H new ATOM 269 N VAL A 21 0.804 -7.578 -7.533 1.00 0.00 N ATOM 270 CA VAL A 21 -0.222 -8.098 -6.638 1.00 0.00 C ATOM 271 C VAL A 21 -1.597 -7.548 -6.999 1.00 0.00 C ATOM 272 O VAL A 21 -2.621 -8.174 -6.723 1.00 0.00 O ATOM 273 CB VAL A 21 0.087 -7.752 -5.169 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.490 -8.209 -4.797 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.078 -6.260 -4.927 1.00 0.00 C ATOM 0 H VAL A 21 1.544 -7.053 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.225 -9.182 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.623 -8.280 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.691 -7.956 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.568 -9.288 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.217 -7.710 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.144 -6.034 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.607 -5.709 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.103 -5.966 -5.151 1.00 0.00 H new ATOM 285 N THR A 22 -1.614 -6.372 -7.619 1.00 0.00 N ATOM 286 CA THR A 22 -2.863 -5.737 -8.018 1.00 0.00 C ATOM 287 C THR A 22 -3.101 -5.884 -9.517 1.00 0.00 C ATOM 288 O THR A 22 -3.770 -5.056 -10.135 1.00 0.00 O ATOM 289 CB THR A 22 -2.874 -4.240 -7.654 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.776 -3.574 -8.288 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.787 -4.050 -6.147 1.00 0.00 C ATOM 0 H THR A 22 -0.776 -5.840 -7.855 1.00 0.00 H new ATOM 0 HA THR A 22 -3.661 -6.242 -7.474 1.00 0.00 H new ATOM 0 HB THR A 22 -3.812 -3.809 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.957 -3.733 -7.774 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.796 -2.985 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.639 -4.534 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.863 -4.495 -5.777 1.00 0.00 H new ATOM 387 N VAL A 28 -6.717 0.211 -10.071 1.00 0.00 N ATOM 388 CA VAL A 28 -5.444 0.111 -9.367 1.00 0.00 C ATOM 389 C VAL A 28 -4.278 0.437 -10.293 1.00 0.00 C ATOM 390 O VAL A 28 -3.654 -0.459 -10.863 1.00 0.00 O ATOM 391 CB VAL A 28 -5.239 -1.296 -8.775 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.861 -1.412 -8.142 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.329 -1.611 -7.762 1.00 0.00 C ATOM 0 HA VAL A 28 -5.473 0.837 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.304 -2.025 -9.583 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.733 -2.413 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.097 -1.232 -8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.764 -0.675 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.169 -2.609 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.298 -0.879 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.302 -1.571 -8.251 1.00 0.00 H new ATOM 403 N LYS A 29 -3.986 1.725 -10.439 1.00 0.00 N ATOM 404 CA LYS A 29 -2.893 2.171 -11.294 1.00 0.00 C ATOM 405 C LYS A 29 -1.863 2.962 -10.493 1.00 0.00 C ATOM 406 O LYS A 29 -1.906 4.192 -10.454 1.00 0.00 O ATOM 407 CB LYS A 29 -3.432 3.029 -12.440 1.00 0.00 C ATOM 408 CG LYS A 29 -2.409 3.299 -13.531 1.00 0.00 C ATOM 409 CD LYS A 29 -2.661 4.634 -14.212 1.00 0.00 C ATOM 410 CE LYS A 29 -3.656 4.498 -15.354 1.00 0.00 C ATOM 411 NZ LYS A 29 -3.876 5.793 -16.056 1.00 0.00 N ATOM 0 H LYS A 29 -4.492 2.479 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.405 1.288 -11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.297 2.532 -12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.781 3.980 -12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.407 3.292 -13.102 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.445 2.499 -14.271 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.039 5.350 -13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.721 5.033 -14.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.293 3.756 -16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.606 4.129 -14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.560 5.658 -16.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.247 6.494 -15.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.975 6.133 -16.448 1.00 0.00 H new ATOM 425 N ILE A 30 -0.940 2.249 -9.857 1.00 0.00 N ATOM 426 CA ILE A 30 0.101 2.886 -9.060 1.00 0.00 C ATOM 427 C ILE A 30 0.972 3.796 -9.919 1.00 0.00 C ATOM 428 O ILE A 30 2.095 3.441 -10.280 1.00 0.00 O ATOM 429 CB ILE A 30 0.997 1.842 -8.367 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.172 0.990 -7.401 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.140 2.528 -7.634 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.405 -0.256 -8.035 1.00 0.00 C ATOM 0 H ILE A 30 -0.892 1.230 -9.878 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.404 3.482 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 30 1.421 1.187 -9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.799 0.701 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.642 1.594 -7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.764 1.777 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.740 3.095 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.735 3.204 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.977 -0.811 -7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.059 0.025 -8.861 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.405 -0.882 -8.410 1.00 0.00 H new ATOM 444 N THR A 31 0.447 4.974 -10.243 1.00 0.00 N ATOM 445 CA THR A 31 1.176 5.937 -11.059 1.00 0.00 C ATOM 446 C THR A 31 2.209 6.691 -10.229 1.00 0.00 C ATOM 447 O THR A 31 3.289 7.021 -10.716 1.00 0.00 O ATOM 448 CB THR A 31 0.223 6.952 -11.717 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.689 7.471 -10.742 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.556 6.306 -12.853 1.00 0.00 C ATOM 0 H THR A 31 -0.480 5.284 -9.953 1.00 0.00 H new ATOM 0 HA THR A 31 1.684 5.369 -11.838 1.00 0.00 H new ATOM 0 HB THR A 31 0.821 7.767 -12.125 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.291 8.117 -11.168 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.222 7.042 -13.302 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.139 5.938 -13.607 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.144 5.474 -12.464 1.00 0.00 H new ATOM 458 N ASN A 32 1.870 6.960 -8.973 1.00 0.00 N ATOM 459 CA ASN A 32 2.769 7.675 -8.074 1.00 0.00 C ATOM 460 C ASN A 32 2.736 7.068 -6.675 1.00 0.00 C ATOM 461 O ASN A 32 2.029 6.092 -6.426 1.00 0.00 O ATOM 462 CB ASN A 32 2.386 9.155 -8.009 1.00 0.00 C ATOM 463 CG ASN A 32 2.054 9.727 -9.374 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.848 9.632 -10.309 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.874 10.326 -9.492 1.00 0.00 N ATOM 0 H ASN A 32 0.979 6.694 -8.554 1.00 0.00 H new ATOM 0 HA ASN A 32 3.782 7.585 -8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.527 9.277 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.208 9.721 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.595 10.731 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.247 10.381 -8.689 1.00 0.00 H new ATOM 472 N PHE A 33 3.508 7.653 -5.764 1.00 0.00 N ATOM 473 CA PHE A 33 3.568 7.170 -4.390 1.00 0.00 C ATOM 474 C PHE A 33 3.059 8.230 -3.418 1.00 0.00 C ATOM 475 O PHE A 33 3.498 8.299 -2.269 1.00 0.00 O ATOM 476 CB PHE A 33 5.002 6.776 -4.028 1.00 0.00 C ATOM 477 CG PHE A 33 5.404 5.429 -4.555 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.983 4.269 -3.925 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.204 5.321 -5.682 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.353 3.028 -4.407 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.576 4.083 -6.170 1.00 0.00 C ATOM 482 CZ PHE A 33 6.150 2.935 -5.532 1.00 0.00 C ATOM 0 H PHE A 33 4.100 8.462 -5.953 1.00 0.00 H new ATOM 0 HA PHE A 33 2.926 6.292 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.687 7.529 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.109 6.780 -2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.358 4.336 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.541 6.216 -6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.020 2.132 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.199 4.013 -7.049 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.439 1.966 -5.912 1.00 0.00 H new ATOM 492 N THR A 34 2.130 9.057 -3.887 1.00 0.00 N ATOM 493 CA THR A 34 1.562 10.116 -3.061 1.00 0.00 C ATOM 494 C THR A 34 0.038 10.066 -3.075 1.00 0.00 C ATOM 495 O THR A 34 -0.596 9.854 -2.041 1.00 0.00 O ATOM 496 CB THR A 34 2.023 11.507 -3.536 1.00 0.00 C ATOM 497 OG1 THR A 34 1.800 11.643 -4.944 1.00 0.00 O ATOM 498 CG2 THR A 34 3.497 11.723 -3.227 1.00 0.00 C ATOM 0 H THR A 34 1.755 9.014 -4.835 1.00 0.00 H new ATOM 0 HA THR A 34 1.919 9.950 -2.045 1.00 0.00 H new ATOM 0 HB THR A 34 1.442 12.260 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.094 12.531 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.800 12.712 -3.571 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.658 11.648 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.091 10.964 -3.736 1.00 0.00 H new ATOM 506 N THR A 35 -0.545 10.261 -4.254 1.00 0.00 N ATOM 507 CA THR A 35 -1.995 10.238 -4.402 1.00 0.00 C ATOM 508 C THR A 35 -2.501 8.820 -4.641 1.00 0.00 C ATOM 509 O THR A 35 -3.450 8.373 -3.997 1.00 0.00 O ATOM 510 CB THR A 35 -2.455 11.138 -5.564 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.866 10.694 -6.791 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.074 12.589 -5.309 1.00 0.00 C ATOM 0 H THR A 35 -0.035 10.437 -5.120 1.00 0.00 H new ATOM 0 HA THR A 35 -2.414 10.618 -3.470 1.00 0.00 H new ATOM 0 HB THR A 35 -3.540 11.071 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.165 11.271 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.409 13.205 -6.143 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.548 12.934 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.991 12.669 -5.211 1.00 0.00 H new ATOM 520 N SER A 36 -1.861 8.117 -5.570 1.00 0.00 N ATOM 521 CA SER A 36 -2.249 6.750 -5.896 1.00 0.00 C ATOM 522 C SER A 36 -2.610 5.972 -4.634 1.00 0.00 C ATOM 523 O SER A 36 -3.422 5.047 -4.673 1.00 0.00 O ATOM 524 CB SER A 36 -1.117 6.040 -6.640 1.00 0.00 C ATOM 525 OG SER A 36 -1.208 6.260 -8.037 1.00 0.00 O ATOM 0 H SER A 36 -1.072 8.472 -6.110 1.00 0.00 H new ATOM 0 HA SER A 36 -3.127 6.792 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.155 6.400 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.157 4.970 -6.434 1.00 0.00 H new ATOM 0 HG SER A 36 -1.756 5.557 -8.444 1.00 0.00 H new ATOM 531 N TRP A 37 -2.001 6.353 -3.518 1.00 0.00 N ATOM 532 CA TRP A 37 -2.257 5.691 -2.243 1.00 0.00 C ATOM 533 C TRP A 37 -3.095 6.578 -1.329 1.00 0.00 C ATOM 534 O TRP A 37 -3.811 6.085 -0.457 1.00 0.00 O ATOM 535 CB TRP A 37 -0.938 5.332 -1.558 1.00 0.00 C ATOM 536 CG TRP A 37 0.033 4.638 -2.465 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.920 5.228 -3.319 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.213 3.225 -2.607 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.641 4.266 -3.986 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.227 3.029 -3.566 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.381 2.106 -2.018 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.656 1.761 -3.947 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.045 0.848 -2.397 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.056 0.683 -3.353 1.00 0.00 C ATOM 0 H TRP A 37 -1.326 7.117 -3.469 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.815 4.776 -2.442 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.478 6.242 -1.173 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.145 4.692 -0.701 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.038 6.293 -3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.366 4.444 -4.681 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.160 2.223 -1.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.434 1.632 -4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.409 -0.023 -1.949 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.368 -0.314 -3.627 1.00 0.00 H new ATOM 555 N ARG A 38 -3.000 7.888 -1.532 1.00 0.00 N ATOM 556 CA ARG A 38 -3.748 8.843 -0.724 1.00 0.00 C ATOM 557 C ARG A 38 -5.107 8.273 -0.329 1.00 0.00 C ATOM 558 O ARG A 38 -5.493 8.316 0.838 1.00 0.00 O ATOM 559 CB ARG A 38 -3.936 10.154 -1.490 1.00 0.00 C ATOM 560 CG ARG A 38 -4.971 11.079 -0.869 1.00 0.00 C ATOM 561 CD ARG A 38 -4.787 12.514 -1.337 1.00 0.00 C ATOM 562 NE ARG A 38 -5.543 12.794 -2.555 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.841 13.075 -2.566 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.524 13.114 -1.431 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.458 13.318 -3.715 1.00 0.00 N ATOM 0 H ARG A 38 -2.412 8.312 -2.250 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.177 9.039 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.980 10.675 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.232 9.927 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.972 10.735 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.893 11.037 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.105 13.196 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.729 12.704 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.047 12.773 -3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.053 12.928 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.521 13.330 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.936 13.289 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.455 13.534 -3.723 1.00 0.00 H new ATOM 579 N ASN A 39 -5.828 7.741 -1.310 1.00 0.00 N ATOM 580 CA ASN A 39 -7.145 7.163 -1.065 1.00 0.00 C ATOM 581 C ASN A 39 -7.039 5.922 -0.185 1.00 0.00 C ATOM 582 O ASN A 39 -7.691 5.827 0.854 1.00 0.00 O ATOM 583 CB ASN A 39 -7.823 6.806 -2.390 1.00 0.00 C ATOM 584 CG ASN A 39 -6.832 6.343 -3.440 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.672 6.065 -3.135 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.286 6.257 -4.685 1.00 0.00 N ATOM 0 H ASN A 39 -5.523 7.698 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.749 7.906 -0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.559 6.021 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.365 7.675 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.665 5.950 -5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.255 6.498 -4.892 1.00 0.00 H new ATOM 593 N GLY A 40 -6.211 4.971 -0.608 1.00 0.00 N ATOM 594 CA GLY A 40 -6.034 3.749 0.153 1.00 0.00 C ATOM 595 C GLY A 40 -6.315 2.507 -0.670 1.00 0.00 C ATOM 596 O GLY A 40 -6.052 1.388 -0.228 1.00 0.00 O ATOM 0 H GLY A 40 -5.660 5.026 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.013 3.706 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.696 3.765 1.019 1.00 0.00 H new ATOM 600 N LEU A 41 -6.852 2.703 -1.869 1.00 0.00 N ATOM 601 CA LEU A 41 -7.171 1.590 -2.756 1.00 0.00 C ATOM 602 C LEU A 41 -5.952 0.698 -2.971 1.00 0.00 C ATOM 603 O LEU A 41 -5.978 -0.492 -2.658 1.00 0.00 O ATOM 604 CB LEU A 41 -7.678 2.113 -4.101 1.00 0.00 C ATOM 605 CG LEU A 41 -8.938 2.977 -4.053 1.00 0.00 C ATOM 606 CD1 LEU A 41 -9.331 3.426 -5.452 1.00 0.00 C ATOM 607 CD2 LEU A 41 -10.081 2.217 -3.395 1.00 0.00 C ATOM 0 H LEU A 41 -7.076 3.623 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.954 0.996 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.881 2.693 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.872 1.259 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.725 3.863 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.230 4.040 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.520 4.008 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.525 2.552 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.970 2.847 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.293 1.313 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.799 1.945 -2.378 1.00 0.00 H new ATOM 619 N SER A 42 -4.884 1.283 -3.504 1.00 0.00 N ATOM 620 CA SER A 42 -3.655 0.542 -3.762 1.00 0.00 C ATOM 621 C SER A 42 -3.187 -0.187 -2.506 1.00 0.00 C ATOM 622 O SER A 42 -2.627 -1.281 -2.582 1.00 0.00 O ATOM 623 CB SER A 42 -2.558 1.487 -4.256 1.00 0.00 C ATOM 624 OG SER A 42 -3.023 2.295 -5.323 1.00 0.00 O ATOM 0 H SER A 42 -4.845 2.268 -3.766 1.00 0.00 H new ATOM 0 HA SER A 42 -3.862 -0.198 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.223 2.121 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.695 0.907 -4.584 1.00 0.00 H new ATOM 0 HG SER A 42 -3.117 3.221 -5.015 1.00 0.00 H new ATOM 630 N PHE A 43 -3.421 0.427 -1.351 1.00 0.00 N ATOM 631 CA PHE A 43 -3.023 -0.162 -0.078 1.00 0.00 C ATOM 632 C PHE A 43 -3.805 -1.443 0.197 1.00 0.00 C ATOM 633 O PHE A 43 -3.221 -2.498 0.451 1.00 0.00 O ATOM 634 CB PHE A 43 -3.241 0.836 1.060 1.00 0.00 C ATOM 635 CG PHE A 43 -2.045 1.701 1.337 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.824 1.134 1.663 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.142 3.082 1.270 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.278 1.928 1.919 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.043 3.881 1.524 1.00 0.00 C ATOM 640 CZ PHE A 43 0.169 3.303 1.848 1.00 0.00 C ATOM 0 H PHE A 43 -3.884 1.332 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.963 -0.410 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.091 1.473 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.502 0.290 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.732 0.059 1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.087 3.539 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.224 1.473 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.132 4.956 1.469 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.030 3.925 2.045 1.00 0.00 H new ATOM 650 N CYS A 44 -5.128 -1.344 0.145 1.00 0.00 N ATOM 651 CA CYS A 44 -5.992 -2.494 0.390 1.00 0.00 C ATOM 652 C CYS A 44 -5.832 -3.538 -0.711 1.00 0.00 C ATOM 653 O CYS A 44 -5.518 -4.696 -0.440 1.00 0.00 O ATOM 654 CB CYS A 44 -7.453 -2.050 0.481 1.00 0.00 C ATOM 655 SG CYS A 44 -7.846 -1.106 1.971 1.00 0.00 S ATOM 0 H CYS A 44 -5.627 -0.479 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.697 -2.944 1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.693 -1.445 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.093 -2.932 0.443 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.103 -0.774 1.956 1.00 0.00 H new ATOM 661 N ALA A 45 -6.053 -3.119 -1.953 1.00 0.00 N ATOM 662 CA ALA A 45 -5.933 -4.017 -3.094 1.00 0.00 C ATOM 663 C ALA A 45 -4.813 -5.030 -2.881 1.00 0.00 C ATOM 664 O ALA A 45 -4.907 -6.176 -3.321 1.00 0.00 O ATOM 665 CB ALA A 45 -5.691 -3.222 -4.369 1.00 0.00 C ATOM 0 H ALA A 45 -6.316 -2.163 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.870 -4.565 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.603 -3.906 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.526 -2.542 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.770 -2.648 -4.270 1.00 0.00 H new ATOM 671 N ILE A 46 -3.754 -4.600 -2.203 1.00 0.00 N ATOM 672 CA ILE A 46 -2.616 -5.470 -1.931 1.00 0.00 C ATOM 673 C ILE A 46 -2.981 -6.552 -0.920 1.00 0.00 C ATOM 674 O ILE A 46 -2.860 -7.745 -1.201 1.00 0.00 O ATOM 675 CB ILE A 46 -1.411 -4.672 -1.400 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.799 -3.826 -2.519 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.371 -5.613 -0.810 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.148 -2.758 -2.019 1.00 0.00 C ATOM 0 H ILE A 46 -3.660 -3.655 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.343 -5.937 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.756 -4.003 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.265 -4.481 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.601 -3.353 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.475 -5.034 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.814 -6.176 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.028 -6.304 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.544 -2.197 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.387 -2.080 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.970 -3.225 -1.477 1.00 0.00 H new ATOM 690 N LEU A 47 -3.429 -6.127 0.256 1.00 0.00 N ATOM 691 CA LEU A 47 -3.814 -7.060 1.310 1.00 0.00 C ATOM 692 C LEU A 47 -4.942 -7.974 0.842 1.00 0.00 C ATOM 693 O LEU A 47 -5.138 -9.062 1.385 1.00 0.00 O ATOM 694 CB LEU A 47 -4.248 -6.294 2.561 1.00 0.00 C ATOM 695 CG LEU A 47 -4.498 -7.139 3.811 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.195 -7.729 4.327 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.173 -6.306 4.891 1.00 0.00 C ATOM 0 H LEU A 47 -3.535 -5.143 0.504 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.948 -7.677 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.482 -5.554 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.161 -5.746 2.329 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.163 -7.960 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.393 -8.327 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.751 -8.360 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.505 -6.923 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.343 -6.923 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.532 -5.465 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.127 -5.933 4.519 1.00 0.00 H new ATOM 709 N HIS A 48 -5.679 -7.527 -0.169 1.00 0.00 N ATOM 710 CA HIS A 48 -6.786 -8.306 -0.712 1.00 0.00 C ATOM 711 C HIS A 48 -6.273 -9.418 -1.621 1.00 0.00 C ATOM 712 O HIS A 48 -6.871 -10.491 -1.706 1.00 0.00 O ATOM 713 CB HIS A 48 -7.745 -7.400 -1.485 1.00 0.00 C ATOM 714 CG HIS A 48 -9.119 -7.976 -1.641 1.00 0.00 C ATOM 715 ND1 HIS A 48 -9.506 -8.713 -2.740 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.199 -7.922 -0.827 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.765 -9.085 -2.597 1.00 0.00 C ATOM 718 NE2 HIS A 48 -11.209 -8.618 -1.444 1.00 0.00 N ATOM 0 H HIS A 48 -5.530 -6.629 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.321 -8.760 0.122 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.818 -6.441 -0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.328 -7.203 -2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.256 -7.424 0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.335 -9.671 -3.303 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.149 -8.753 -1.072 1.00 0.00 H new ATOM 727 N HIS A 49 -5.161 -9.154 -2.301 1.00 0.00 N ATOM 728 CA HIS A 49 -4.567 -10.133 -3.205 1.00 0.00 C ATOM 729 C HIS A 49 -4.378 -11.475 -2.505 1.00 0.00 C ATOM 730 O HIS A 49 -4.881 -12.502 -2.961 1.00 0.00 O ATOM 731 CB HIS A 49 -3.224 -9.624 -3.730 1.00 0.00 C ATOM 732 CG HIS A 49 -2.767 -10.317 -4.977 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.606 -10.586 -6.039 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.551 -10.795 -5.330 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.925 -11.201 -6.989 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.675 -11.339 -6.584 1.00 0.00 N ATOM 0 H HIS A 49 -4.654 -8.271 -2.243 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.247 -10.275 -4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.302 -8.555 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.468 -9.752 -2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.650 -10.756 -4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.323 -11.534 -7.936 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.924 -11.778 -7.117 1.00 0.00 H new ATOM 745 N PHE A 50 -3.649 -11.459 -1.394 1.00 0.00 N ATOM 746 CA PHE A 50 -3.391 -12.675 -0.631 1.00 0.00 C ATOM 747 C PHE A 50 -4.665 -13.173 0.045 1.00 0.00 C ATOM 748 O PHE A 50 -4.988 -14.360 -0.011 1.00 0.00 O ATOM 749 CB PHE A 50 -2.308 -12.424 0.419 1.00 0.00 C ATOM 750 CG PHE A 50 -1.114 -11.685 -0.115 1.00 0.00 C ATOM 751 CD1 PHE A 50 -1.113 -10.301 -0.184 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.007 -12.375 -0.549 1.00 0.00 C ATOM 753 CE1 PHE A 50 -0.017 -9.619 -0.676 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.107 -11.698 -1.042 1.00 0.00 C ATOM 755 CZ PHE A 50 1.095 -10.318 -1.104 1.00 0.00 C ATOM 0 H PHE A 50 -3.226 -10.618 -1.002 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.044 -13.442 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.738 -11.856 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.981 -13.380 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.979 -9.749 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.021 -13.454 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.030 -8.540 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.974 -12.247 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.954 -9.786 -1.487 1.00 0.00 H new ATOM 765 N ARG A 51 -5.385 -12.257 0.684 1.00 0.00 N ATOM 766 CA ARG A 51 -6.623 -12.602 1.373 1.00 0.00 C ATOM 767 C ARG A 51 -7.721 -11.590 1.059 1.00 0.00 C ATOM 768 O ARG A 51 -7.780 -10.503 1.634 1.00 0.00 O ATOM 769 CB ARG A 51 -6.390 -12.666 2.884 1.00 0.00 C ATOM 770 CG ARG A 51 -7.292 -13.660 3.597 1.00 0.00 C ATOM 771 CD ARG A 51 -6.665 -15.045 3.645 1.00 0.00 C ATOM 772 NE ARG A 51 -7.637 -16.073 4.010 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.310 -17.333 4.275 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.043 -17.718 4.217 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.251 -18.210 4.599 1.00 0.00 N ATOM 0 H ARG A 51 -5.133 -11.270 0.739 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.945 -13.582 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.350 -12.932 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.547 -11.675 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.488 -13.313 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.254 -13.712 3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.235 -15.282 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.847 -15.048 4.365 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.621 -15.809 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.317 -17.046 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.794 -18.686 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.227 -17.917 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.999 -19.177 4.802 1.00 0.00 H new ATOM 789 N PRO A 52 -8.611 -11.953 0.123 1.00 0.00 N ATOM 790 CA PRO A 52 -9.723 -11.091 -0.289 1.00 0.00 C ATOM 791 C PRO A 52 -10.779 -10.947 0.801 1.00 0.00 C ATOM 792 O PRO A 52 -11.811 -10.308 0.598 1.00 0.00 O ATOM 793 CB PRO A 52 -10.303 -11.818 -1.504 1.00 0.00 C ATOM 794 CG PRO A 52 -9.931 -13.247 -1.305 1.00 0.00 C ATOM 795 CD PRO A 52 -8.601 -13.234 -0.604 1.00 0.00 C ATOM 0 HA PRO A 52 -9.394 -10.074 -0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.385 -11.695 -1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.889 -11.427 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.681 -13.766 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.864 -13.770 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.496 -14.080 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.773 -13.288 -1.311 1.00 0.00 H new ATOM 803 N ASP A 53 -10.515 -11.546 1.957 1.00 0.00 N ATOM 804 CA ASP A 53 -11.443 -11.482 3.081 1.00 0.00 C ATOM 805 C ASP A 53 -10.938 -10.519 4.150 1.00 0.00 C ATOM 806 O ASP A 53 -11.709 -9.746 4.720 1.00 0.00 O ATOM 807 CB ASP A 53 -11.643 -12.874 3.683 1.00 0.00 C ATOM 808 CG ASP A 53 -11.781 -13.949 2.624 1.00 0.00 C ATOM 809 OD1 ASP A 53 -10.794 -14.201 1.902 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.877 -14.539 2.515 1.00 0.00 O ATOM 0 H ASP A 53 -9.666 -12.081 2.141 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.399 -11.113 2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.798 -13.112 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.534 -12.870 4.311 1.00 0.00 H new ATOM 815 N LEU A 54 -9.638 -10.571 4.419 1.00 0.00 N ATOM 816 CA LEU A 54 -9.028 -9.704 5.421 1.00 0.00 C ATOM 817 C LEU A 54 -9.595 -8.291 5.335 1.00 0.00 C ATOM 818 O LEU A 54 -9.743 -7.608 6.350 1.00 0.00 O ATOM 819 CB LEU A 54 -7.510 -9.669 5.238 1.00 0.00 C ATOM 820 CG LEU A 54 -6.718 -10.735 5.995 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.250 -10.693 5.598 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.871 -10.547 7.498 1.00 0.00 C ATOM 0 H LEU A 54 -8.986 -11.205 3.957 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.259 -10.109 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.290 -9.768 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.149 -8.688 5.548 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.117 -11.714 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.702 -11.459 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.157 -10.878 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.837 -9.712 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.300 -11.315 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.499 -9.562 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.923 -10.629 7.770 1.00 0.00 H new ATOM 834 N ILE A 55 -9.913 -7.859 4.120 1.00 0.00 N ATOM 835 CA ILE A 55 -10.467 -6.528 3.903 1.00 0.00 C ATOM 836 C ILE A 55 -11.810 -6.603 3.184 1.00 0.00 C ATOM 837 O ILE A 55 -12.315 -7.689 2.902 1.00 0.00 O ATOM 838 CB ILE A 55 -9.507 -5.646 3.083 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.060 -6.095 3.295 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.675 -4.183 3.467 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.608 -7.157 2.318 1.00 0.00 C ATOM 0 H ILE A 55 -9.797 -8.411 3.270 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.608 -6.080 4.887 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.750 -5.755 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.403 -5.230 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.952 -6.477 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.990 -3.572 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.701 -3.871 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.455 -4.057 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.573 -7.427 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.241 -8.039 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.684 -6.772 1.301 1.00 0.00 H new ATOM 853 N ASP A 56 -12.381 -5.440 2.889 1.00 0.00 N ATOM 854 CA ASP A 56 -13.665 -5.373 2.199 1.00 0.00 C ATOM 855 C ASP A 56 -13.517 -4.697 0.840 1.00 0.00 C ATOM 856 O ASP A 56 -14.436 -4.031 0.363 1.00 0.00 O ATOM 857 CB ASP A 56 -14.686 -4.616 3.050 1.00 0.00 C ATOM 858 CG ASP A 56 -16.105 -5.093 2.814 1.00 0.00 C ATOM 859 OD1 ASP A 56 -16.406 -6.253 3.164 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.914 -4.307 2.277 1.00 0.00 O ATOM 0 H ASP A 56 -11.976 -4.532 3.116 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.018 -6.392 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.436 -4.736 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.622 -3.551 2.827 1.00 0.00 H new ATOM 865 N TYR A 57 -12.354 -4.872 0.222 1.00 0.00 N ATOM 866 CA TYR A 57 -12.084 -4.276 -1.082 1.00 0.00 C ATOM 867 C TYR A 57 -13.152 -4.675 -2.095 1.00 0.00 C ATOM 868 O TYR A 57 -13.399 -3.963 -3.069 1.00 0.00 O ATOM 869 CB TYR A 57 -10.704 -4.703 -1.584 1.00 0.00 C ATOM 870 CG TYR A 57 -10.171 -3.833 -2.701 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.646 -3.967 -3.999 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.192 -2.877 -2.456 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.161 -3.175 -5.022 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.703 -2.080 -3.472 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.190 -2.233 -4.753 1.00 0.00 C ATOM 876 OH TYR A 57 -8.705 -1.441 -5.769 1.00 0.00 O ATOM 0 H TYR A 57 -11.583 -5.421 0.602 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.103 -3.192 -0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -10.001 -4.682 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.756 -5.735 -1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.407 -4.703 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.807 -2.756 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.540 -3.293 -6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.943 -1.341 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.028 -0.829 -5.412 1.00 0.00 H new ATOM 886 N LYS A 58 -13.785 -5.819 -1.858 1.00 0.00 N ATOM 887 CA LYS A 58 -14.829 -6.315 -2.747 1.00 0.00 C ATOM 888 C LYS A 58 -16.003 -5.342 -2.803 1.00 0.00 C ATOM 889 O LYS A 58 -16.821 -5.394 -3.722 1.00 0.00 O ATOM 890 CB LYS A 58 -15.314 -7.690 -2.281 1.00 0.00 C ATOM 891 CG LYS A 58 -16.130 -7.645 -1.000 1.00 0.00 C ATOM 892 CD LYS A 58 -17.613 -7.486 -1.289 1.00 0.00 C ATOM 893 CE LYS A 58 -18.458 -7.832 -0.072 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.416 -6.757 0.957 1.00 0.00 N ATOM 0 H LYS A 58 -13.593 -6.421 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.407 -6.406 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.916 -8.140 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.451 -8.338 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.965 -8.560 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.789 -6.817 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.817 -6.460 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.893 -8.129 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.490 -7.998 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.102 -8.766 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.451 -7.183 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.536 -6.212 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.232 -6.124 0.832 1.00 0.00 H new ATOM 908 N SER A 59 -16.078 -4.455 -1.816 1.00 0.00 N ATOM 909 CA SER A 59 -17.153 -3.472 -1.753 1.00 0.00 C ATOM 910 C SER A 59 -16.605 -2.089 -1.414 1.00 0.00 C ATOM 911 O SER A 59 -17.308 -1.252 -0.845 1.00 0.00 O ATOM 912 CB SER A 59 -18.194 -3.890 -0.712 1.00 0.00 C ATOM 913 OG SER A 59 -19.127 -2.849 -0.478 1.00 0.00 O ATOM 0 H SER A 59 -15.408 -4.397 -1.050 1.00 0.00 H new ATOM 0 HA SER A 59 -17.628 -3.425 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.718 -4.782 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.695 -4.152 0.221 1.00 0.00 H new ATOM 0 HG SER A 59 -18.654 -2.051 -0.163 1.00 0.00 H new ATOM 919 N LEU A 60 -15.346 -1.856 -1.768 1.00 0.00 N ATOM 920 CA LEU A 60 -14.702 -0.575 -1.502 1.00 0.00 C ATOM 921 C LEU A 60 -14.838 0.362 -2.699 1.00 0.00 C ATOM 922 O LEU A 60 -15.460 0.016 -3.702 1.00 0.00 O ATOM 923 CB LEU A 60 -13.224 -0.784 -1.170 1.00 0.00 C ATOM 924 CG LEU A 60 -12.910 -1.184 0.273 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.427 -1.015 0.563 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.743 -0.363 1.247 1.00 0.00 C ATOM 0 H LEU A 60 -14.751 -2.537 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.199 -0.117 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.828 -1.553 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.688 0.138 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.167 -2.235 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.223 -1.304 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.850 -1.647 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.144 0.027 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.507 -0.661 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.518 0.695 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.802 -0.535 1.055 1.00 0.00 H new ATOM 938 N ASN A 61 -14.250 1.548 -2.585 1.00 0.00 N ATOM 939 CA ASN A 61 -14.304 2.534 -3.659 1.00 0.00 C ATOM 940 C ASN A 61 -13.361 3.700 -3.374 1.00 0.00 C ATOM 941 O ASN A 61 -12.944 3.930 -2.239 1.00 0.00 O ATOM 942 CB ASN A 61 -15.733 3.050 -3.834 1.00 0.00 C ATOM 943 CG ASN A 61 -16.549 2.184 -4.773 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.678 1.804 -4.462 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.980 1.867 -5.931 1.00 0.00 N ATOM 0 H ASN A 61 -13.731 1.850 -1.761 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.985 2.049 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.224 3.089 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.704 4.070 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.481 1.287 -6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.042 2.204 -6.147 1.00 0.00 H new ATOM 952 N PRO A 62 -13.019 4.454 -4.429 1.00 0.00 N ATOM 953 CA PRO A 62 -12.123 5.610 -4.318 1.00 0.00 C ATOM 954 C PRO A 62 -12.768 6.773 -3.572 1.00 0.00 C ATOM 955 O PRO A 62 -12.208 7.867 -3.509 1.00 0.00 O ATOM 956 CB PRO A 62 -11.856 5.992 -5.776 1.00 0.00 C ATOM 957 CG PRO A 62 -13.041 5.487 -6.524 1.00 0.00 C ATOM 958 CD PRO A 62 -13.479 4.238 -5.811 1.00 0.00 C ATOM 0 HA PRO A 62 -11.221 5.375 -3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.747 7.071 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.935 5.539 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.839 6.229 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.786 5.275 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.560 4.106 -5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.030 3.347 -6.249 1.00 0.00 H new ATOM 966 N GLN A 63 -13.946 6.528 -3.007 1.00 0.00 N ATOM 967 CA GLN A 63 -14.665 7.556 -2.265 1.00 0.00 C ATOM 968 C GLN A 63 -14.186 7.619 -0.819 1.00 0.00 C ATOM 969 O GLN A 63 -14.365 8.630 -0.139 1.00 0.00 O ATOM 970 CB GLN A 63 -16.170 7.285 -2.305 1.00 0.00 C ATOM 971 CG GLN A 63 -16.542 5.861 -1.922 1.00 0.00 C ATOM 972 CD GLN A 63 -16.046 5.480 -0.540 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.063 6.294 0.384 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.602 4.238 -0.393 1.00 0.00 N ATOM 0 H GLN A 63 -14.422 5.627 -3.049 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.463 8.517 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.674 7.977 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.541 7.491 -3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.626 5.750 -1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.126 5.171 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.607 3.597 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.256 3.924 0.514 1.00 0.00 H new ATOM 983 N ASP A 64 -13.577 6.534 -0.354 1.00 0.00 N ATOM 984 CA ASP A 64 -13.071 6.466 1.012 1.00 0.00 C ATOM 985 C ASP A 64 -11.556 6.644 1.040 1.00 0.00 C ATOM 986 O ASP A 64 -10.814 5.810 0.521 1.00 0.00 O ATOM 987 CB ASP A 64 -13.452 5.131 1.653 1.00 0.00 C ATOM 988 CG ASP A 64 -14.813 5.176 2.320 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.245 6.281 2.712 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.445 4.108 2.450 1.00 0.00 O ATOM 0 H ASP A 64 -13.422 5.689 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.524 7.277 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.450 4.352 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.698 4.857 2.391 1.00 0.00 H new ATOM 995 N ILE A 65 -11.106 7.737 1.647 1.00 0.00 N ATOM 996 CA ILE A 65 -9.680 8.024 1.742 1.00 0.00 C ATOM 997 C ILE A 65 -9.129 7.628 3.108 1.00 0.00 C ATOM 998 O ILE A 65 -8.116 6.935 3.205 1.00 0.00 O ATOM 999 CB ILE A 65 -9.389 9.516 1.497 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.974 9.959 0.155 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.890 9.777 1.539 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.728 11.417 -0.161 1.00 0.00 C ATOM 0 H ILE A 65 -11.708 8.438 2.080 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.187 7.434 0.969 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.862 10.098 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.546 9.347 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.048 9.772 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.700 10.836 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.499 9.495 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.396 9.187 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.171 11.660 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.181 12.038 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.655 11.606 -0.196 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.804 8.071 4.163 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.386 7.761 5.525 1.00 0.00 C ATOM 1016 C LYS A 66 -9.643 6.294 5.853 1.00 0.00 C ATOM 1017 O LYS A 66 -8.749 5.586 6.314 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.125 8.655 6.524 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.432 8.765 7.871 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.818 10.044 8.593 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.182 9.922 9.254 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.834 11.249 9.431 1.00 0.00 N ATOM 0 H LYS A 66 -10.644 8.647 4.101 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.315 7.950 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.231 9.652 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.131 8.264 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.694 7.905 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.352 8.738 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.067 10.278 9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.828 10.873 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.823 9.281 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.073 9.439 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.761 11.122 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.235 11.853 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.962 11.700 8.502 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.870 5.844 5.610 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.244 4.460 5.879 1.00 0.00 C ATOM 1038 C GLU A 67 -10.324 3.495 5.137 1.00 0.00 C ATOM 1039 O GLU A 67 -9.603 2.710 5.752 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.698 4.212 5.472 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.185 2.807 5.783 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.697 2.720 5.867 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.340 2.532 4.813 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.237 2.840 6.987 1.00 0.00 O ATOM 0 H GLU A 67 -11.622 6.417 5.227 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.140 4.284 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.338 4.931 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.804 4.396 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.827 2.124 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.753 2.477 6.728 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.357 3.558 3.810 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.528 2.689 2.982 1.00 0.00 C ATOM 1053 C ASN A 68 -8.166 2.458 3.630 1.00 0.00 C ATOM 1054 O ASN A 68 -7.781 1.321 3.900 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.345 3.298 1.590 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.580 3.138 0.723 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.623 2.679 1.188 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.465 3.518 -0.544 1.00 0.00 N ATOM 0 H ASN A 68 -10.949 4.202 3.285 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.034 1.728 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.108 4.357 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.495 2.825 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.262 3.435 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.580 3.893 -0.886 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.443 3.545 3.879 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.124 3.461 4.496 1.00 0.00 C ATOM 1067 C ASN A 69 -6.199 2.756 5.847 1.00 0.00 C ATOM 1068 O ASN A 69 -5.477 1.791 6.097 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.529 4.860 4.670 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.760 5.318 3.446 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.535 5.209 3.393 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.477 5.834 2.455 1.00 0.00 N ATOM 0 H ASN A 69 -7.748 4.494 3.663 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.479 2.879 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.330 5.569 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.866 4.865 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.014 6.159 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.491 5.905 2.542 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.079 3.244 6.714 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.252 2.661 8.039 1.00 0.00 C ATOM 1081 C LYS A 70 -7.403 1.145 7.952 1.00 0.00 C ATOM 1082 O LYS A 70 -6.806 0.405 8.734 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.476 3.267 8.730 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.788 2.638 10.077 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.894 3.194 11.172 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.540 3.057 12.542 1.00 0.00 C ATOM 1087 NZ LYS A 70 -7.527 3.027 13.633 1.00 0.00 N ATOM 0 H LYS A 70 -7.684 4.043 6.523 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.362 2.887 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.313 4.336 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.342 3.157 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.832 2.820 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.659 1.558 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.939 2.669 11.165 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.682 4.244 10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.225 3.889 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.135 2.144 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.008 2.933 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.889 2.218 13.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.976 3.909 13.620 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.202 0.689 6.994 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.430 -0.738 6.801 1.00 0.00 C ATOM 1103 C LYS A 71 -7.107 -1.488 6.681 1.00 0.00 C ATOM 1104 O LYS A 71 -6.880 -2.480 7.373 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.279 -0.976 5.550 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.736 -0.582 5.720 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.613 -1.217 4.654 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.024 -1.463 5.167 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.844 -0.220 5.150 1.00 0.00 N ATOM 0 H LYS A 71 -8.703 1.288 6.338 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.965 -1.116 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.853 -0.413 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.226 -2.031 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.083 -0.887 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.829 0.503 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.651 -0.569 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.172 -2.161 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.506 -2.225 4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.978 -1.854 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.849 -0.469 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.700 0.303 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.556 0.375 4.347 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.237 -1.007 5.799 1.00 0.00 N ATOM 1124 CA ALA A 72 -4.936 -1.631 5.591 1.00 0.00 C ATOM 1125 C ALA A 72 -4.150 -1.708 6.895 1.00 0.00 C ATOM 1126 O ALA A 72 -3.960 -2.789 7.453 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.145 -0.864 4.541 1.00 0.00 C ATOM 0 H ALA A 72 -6.410 -0.187 5.217 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.101 -2.648 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.176 -1.341 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.694 -0.864 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.998 0.163 4.875 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.695 -0.557 7.376 1.00 0.00 N ATOM 1134 CA TYR A 73 -2.927 -0.495 8.613 1.00 0.00 C ATOM 1135 C TYR A 73 -3.416 -1.541 9.611 1.00 0.00 C ATOM 1136 O TYR A 73 -2.620 -2.266 10.208 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.025 0.901 9.231 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.660 2.013 8.275 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.519 1.931 7.486 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.456 3.146 8.159 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.181 2.946 6.612 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.126 4.165 7.286 1.00 0.00 C ATOM 1143 CZ TYR A 73 -1.988 4.060 6.515 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.655 5.073 5.645 1.00 0.00 O ATOM 0 H TYR A 73 -3.845 0.347 6.927 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.885 -0.706 8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.042 1.060 9.589 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.370 0.951 10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.886 1.059 7.557 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.348 3.232 8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.289 2.867 6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.756 5.039 7.208 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.298 5.093 4.905 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.731 -1.613 9.785 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.328 -2.571 10.708 1.00 0.00 C ATOM 1156 C ASP A 74 -4.890 -3.993 10.375 1.00 0.00 C ATOM 1157 O ASP A 74 -4.511 -4.760 11.259 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.854 -2.470 10.664 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.371 -1.215 11.339 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -6.653 -0.194 11.322 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.494 -1.255 11.884 1.00 0.00 O ATOM 0 H ASP A 74 -5.404 -1.020 9.299 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.984 -2.331 11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.186 -2.484 9.626 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.287 -3.345 11.149 1.00 0.00 H new ATOM 1166 N GLY A 75 -4.945 -4.339 9.092 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.552 -5.669 8.665 1.00 0.00 C ATOM 1168 C GLY A 75 -3.047 -5.843 8.621 1.00 0.00 C ATOM 1169 O GLY A 75 -2.501 -6.752 9.247 1.00 0.00 O ATOM 0 H GLY A 75 -5.255 -3.722 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.980 -6.406 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.967 -5.867 7.677 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.374 -4.971 7.878 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.922 -5.034 7.752 1.00 0.00 C ATOM 1175 C PHE A 76 -0.262 -5.153 9.123 1.00 0.00 C ATOM 1176 O PHE A 76 0.574 -6.028 9.347 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.398 -3.792 7.028 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.718 -3.775 5.560 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.473 -4.887 4.771 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.263 -2.646 4.970 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.767 -4.874 3.420 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.559 -2.627 3.620 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.309 -3.743 2.844 1.00 0.00 C ATOM 0 H PHE A 76 -2.810 -4.212 7.354 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.671 -5.920 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.822 -2.903 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.683 -3.735 7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.048 -5.774 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.459 -1.771 5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.573 -5.748 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.985 -1.741 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.537 -3.730 1.789 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.644 -4.267 10.036 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.092 -4.273 11.385 1.00 0.00 C ATOM 1195 C ALA A 77 -0.538 -5.510 12.155 1.00 0.00 C ATOM 1196 O ALA A 77 0.124 -5.937 13.101 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.500 -3.010 12.128 1.00 0.00 C ATOM 0 H ALA A 77 -1.334 -3.535 9.866 1.00 0.00 H new ATOM 0 HA ALA A 77 0.995 -4.299 11.306 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.081 -3.028 13.134 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.125 -2.137 11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.587 -2.959 12.189 1.00 0.00 H new ATOM 1203 N SER A 78 -1.666 -6.082 11.746 1.00 0.00 N ATOM 1204 CA SER A 78 -2.204 -7.269 12.401 1.00 0.00 C ATOM 1205 C SER A 78 -1.161 -8.381 12.450 1.00 0.00 C ATOM 1206 O SER A 78 -1.000 -9.050 13.471 1.00 0.00 O ATOM 1207 CB SER A 78 -3.455 -7.758 11.669 1.00 0.00 C ATOM 1208 OG SER A 78 -4.184 -8.678 12.464 1.00 0.00 O ATOM 0 H SER A 78 -2.225 -5.742 10.964 1.00 0.00 H new ATOM 0 HA SER A 78 -2.472 -7.001 13.423 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.089 -6.908 11.418 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.169 -8.231 10.730 1.00 0.00 H new ATOM 0 HG SER A 78 -4.980 -8.975 11.975 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.457 -8.573 11.340 1.00 0.00 N ATOM 1215 CA ILE A 79 0.570 -9.604 11.256 1.00 0.00 C ATOM 1216 C ILE A 79 1.837 -9.178 11.992 1.00 0.00 C ATOM 1217 O ILE A 79 2.536 -10.006 12.575 1.00 0.00 O ATOM 1218 CB ILE A 79 0.924 -9.928 9.793 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.153 -8.638 9.003 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.177 -10.759 9.153 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.775 -8.864 7.643 1.00 0.00 C ATOM 0 H ILE A 79 -0.579 -8.028 10.486 1.00 0.00 H new ATOM 0 HA ILE A 79 0.161 -10.497 11.728 1.00 0.00 H new ATOM 0 HB ILE A 79 1.846 -10.509 9.778 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.200 -8.125 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.797 -7.976 9.582 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.088 -10.980 8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.296 -11.692 9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.114 -10.202 9.176 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.908 -7.906 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.744 -9.349 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.122 -9.500 7.045 1.00 0.00 H new ATOM 1233 N GLY A 80 2.125 -7.881 11.960 1.00 0.00 N ATOM 1234 CA GLY A 80 3.306 -7.367 12.629 1.00 0.00 C ATOM 1235 C GLY A 80 4.009 -6.293 11.822 1.00 0.00 C ATOM 1236 O GLY A 80 5.231 -6.160 11.885 1.00 0.00 O ATOM 0 H GLY A 80 1.562 -7.177 11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.022 -6.960 13.599 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.999 -8.187 12.818 1.00 0.00 H new ATOM 1240 N ILE A 81 3.235 -5.526 11.062 1.00 0.00 N ATOM 1241 CA ILE A 81 3.791 -4.459 10.239 1.00 0.00 C ATOM 1242 C ILE A 81 3.590 -3.098 10.895 1.00 0.00 C ATOM 1243 O ILE A 81 2.493 -2.540 10.867 1.00 0.00 O ATOM 1244 CB ILE A 81 3.155 -4.440 8.836 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.433 -5.757 8.108 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.682 -3.262 8.032 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.906 -5.786 6.690 1.00 0.00 C ATOM 0 H ILE A 81 2.222 -5.623 10.999 1.00 0.00 H new ATOM 0 HA ILE A 81 4.858 -4.659 10.142 1.00 0.00 H new ATOM 0 HB ILE A 81 2.076 -4.327 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.508 -5.934 8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.984 -6.576 8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.223 -3.262 7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.437 -2.332 8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.764 -3.346 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.139 -6.749 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.826 -5.641 6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.373 -4.989 6.112 1.00 0.00 H new ATOM 1259 N SER A 82 4.657 -2.567 11.483 1.00 0.00 N ATOM 1260 CA SER A 82 4.598 -1.271 12.148 1.00 0.00 C ATOM 1261 C SER A 82 4.003 -0.212 11.224 1.00 0.00 C ATOM 1262 O SER A 82 4.528 0.047 10.141 1.00 0.00 O ATOM 1263 CB SER A 82 5.995 -0.842 12.601 1.00 0.00 C ATOM 1264 OG SER A 82 6.288 -1.342 13.894 1.00 0.00 O ATOM 0 H SER A 82 5.573 -3.015 11.512 1.00 0.00 H new ATOM 0 HA SER A 82 3.954 -1.368 13.022 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.738 -1.204 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.061 0.246 12.605 1.00 0.00 H new ATOM 0 HG SER A 82 7.187 -1.055 14.160 1.00 0.00 H new ATOM 1270 N ARG A 83 2.904 0.395 11.660 1.00 0.00 N ATOM 1271 CA ARG A 83 2.236 1.424 10.872 1.00 0.00 C ATOM 1272 C ARG A 83 2.972 2.756 10.984 1.00 0.00 C ATOM 1273 O ARG A 83 3.058 3.342 12.064 1.00 0.00 O ATOM 1274 CB ARG A 83 0.787 1.589 11.333 1.00 0.00 C ATOM 1275 CG ARG A 83 0.655 2.023 12.784 1.00 0.00 C ATOM 1276 CD ARG A 83 -0.791 1.968 13.252 1.00 0.00 C ATOM 1277 NE ARG A 83 -1.029 2.844 14.396 1.00 0.00 N ATOM 1278 CZ ARG A 83 -2.240 3.164 14.838 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -3.318 2.681 14.234 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -2.376 3.967 15.885 1.00 0.00 N ATOM 0 H ARG A 83 2.457 0.192 12.554 1.00 0.00 H new ATOM 0 HA ARG A 83 2.244 1.110 9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.294 2.324 10.697 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.261 0.644 11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.268 1.379 13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.037 3.037 12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.449 2.256 12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.046 0.943 13.521 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.221 3.232 14.882 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.218 2.063 13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.247 2.928 14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.550 4.340 16.352 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.307 4.211 16.223 1.00 0.00 H new ATOM 1294 N LEU A 84 3.500 3.230 9.861 1.00 0.00 N ATOM 1295 CA LEU A 84 4.229 4.494 9.832 1.00 0.00 C ATOM 1296 C LEU A 84 3.316 5.639 9.407 1.00 0.00 C ATOM 1297 O LEU A 84 3.258 6.678 10.065 1.00 0.00 O ATOM 1298 CB LEU A 84 5.421 4.396 8.878 1.00 0.00 C ATOM 1299 CG LEU A 84 6.680 3.738 9.443 1.00 0.00 C ATOM 1300 CD1 LEU A 84 6.554 2.223 9.404 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.911 4.193 8.673 1.00 0.00 C ATOM 0 H LEU A 84 3.437 2.759 8.959 1.00 0.00 H new ATOM 0 HA LEU A 84 4.593 4.699 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.109 3.839 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.679 5.402 8.546 1.00 0.00 H new ATOM 0 HG LEU A 84 6.792 4.046 10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.459 1.772 9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.696 1.914 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.416 1.896 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.798 3.715 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.807 3.915 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.011 5.275 8.754 1.00 0.00 H new ATOM 1313 N LEU A 85 2.602 5.441 8.304 1.00 0.00 N ATOM 1314 CA LEU A 85 1.689 6.457 7.792 1.00 0.00 C ATOM 1315 C LEU A 85 0.288 6.269 8.366 1.00 0.00 C ATOM 1316 O LEU A 85 -0.140 5.146 8.628 1.00 0.00 O ATOM 1317 CB LEU A 85 1.638 6.401 6.264 1.00 0.00 C ATOM 1318 CG LEU A 85 1.032 7.620 5.567 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.981 8.806 5.646 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.699 7.296 4.118 1.00 0.00 C ATOM 0 H LEU A 85 2.638 4.587 7.748 1.00 0.00 H new ATOM 0 HA LEU A 85 2.061 7.434 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.653 6.262 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.067 5.519 5.972 1.00 0.00 H new ATOM 0 HG LEU A 85 0.108 7.886 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.533 9.664 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.168 9.053 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.922 8.552 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.269 8.175 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.608 7.004 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.019 6.476 4.084 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.422 7.377 8.556 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.775 7.334 9.097 1.00 0.00 C ATOM 1334 C GLU A 86 -2.806 7.617 8.009 1.00 0.00 C ATOM 1335 O GLU A 86 -2.540 8.321 7.035 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.926 8.346 10.234 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.134 7.986 11.480 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.922 7.121 12.443 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.111 5.923 12.147 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -2.351 7.643 13.494 1.00 0.00 O ATOM 0 H GLU A 86 -0.082 8.315 8.343 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.951 6.331 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.606 9.326 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.981 8.430 10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.224 7.462 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.827 8.901 11.987 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.012 7.054 8.176 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.108 7.231 7.219 1.00 0.00 C ATOM 1349 C PRO A 87 -5.661 8.652 7.227 1.00 0.00 C ATOM 1350 O PRO A 87 -5.843 9.264 6.174 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.169 6.242 7.707 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.890 6.074 9.161 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.399 6.203 9.314 1.00 0.00 C ATOM 0 HA PRO A 87 -4.784 7.058 6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.175 6.626 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.098 5.292 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.410 6.831 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.236 5.103 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.131 6.660 10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.906 5.232 9.276 1.00 0.00 H new ATOM 1361 N SER A 88 -5.926 9.173 8.421 1.00 0.00 N ATOM 1362 CA SER A 88 -6.461 10.521 8.565 1.00 0.00 C ATOM 1363 C SER A 88 -5.545 11.544 7.900 1.00 0.00 C ATOM 1364 O SER A 88 -5.983 12.339 7.070 1.00 0.00 O ATOM 1365 CB SER A 88 -6.640 10.866 10.045 1.00 0.00 C ATOM 1366 OG SER A 88 -6.998 12.227 10.212 1.00 0.00 O ATOM 0 H SER A 88 -5.779 8.681 9.303 1.00 0.00 H new ATOM 0 HA SER A 88 -7.432 10.554 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.410 10.228 10.480 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.715 10.661 10.584 1.00 0.00 H new ATOM 0 HG SER A 88 -7.108 12.422 11.166 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.270 11.516 8.272 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.289 12.439 7.712 1.00 0.00 C ATOM 1374 C ASP A 89 -3.536 12.655 6.222 1.00 0.00 C ATOM 1375 O ASP A 89 -3.599 13.790 5.752 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.872 11.910 7.936 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.289 12.358 9.262 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.551 13.510 9.666 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.572 11.556 9.895 1.00 0.00 O ATOM 0 H ASP A 89 -3.891 10.864 8.959 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.395 13.396 8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.884 10.821 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.228 12.251 7.126 1.00 0.00 H new ATOM 1384 N MET A 90 -3.673 11.557 5.485 1.00 0.00 N ATOM 1385 CA MET A 90 -3.912 11.627 4.048 1.00 0.00 C ATOM 1386 C MET A 90 -5.024 12.622 3.730 1.00 0.00 C ATOM 1387 O MET A 90 -4.932 13.383 2.766 1.00 0.00 O ATOM 1388 CB MET A 90 -4.277 10.245 3.503 1.00 0.00 C ATOM 1389 CG MET A 90 -3.210 9.192 3.753 1.00 0.00 C ATOM 1390 SD MET A 90 -1.843 9.296 2.582 1.00 0.00 S ATOM 1391 CE MET A 90 -1.843 7.635 1.913 1.00 0.00 C ATOM 0 H MET A 90 -3.623 10.609 5.859 1.00 0.00 H new ATOM 0 HA MET A 90 -2.995 11.969 3.568 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.212 9.919 3.959 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.456 10.322 2.430 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.824 9.305 4.766 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.661 8.202 3.692 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.073 7.552 1.146 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.639 6.921 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.817 7.420 1.474 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.073 12.611 4.545 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.202 13.513 4.351 1.00 0.00 C ATOM 1403 C VAL A 91 -6.855 14.930 4.792 1.00 0.00 C ATOM 1404 O VAL A 91 -7.102 15.896 4.068 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.443 13.035 5.127 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.661 13.865 4.752 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.695 11.557 4.870 1.00 0.00 C ATOM 0 H VAL A 91 -6.165 11.987 5.347 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.428 13.512 3.285 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.257 13.169 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.528 13.512 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.476 14.912 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.853 13.767 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.576 11.236 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.860 11.396 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.830 10.979 5.195 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.281 15.049 5.984 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.899 16.350 6.523 1.00 0.00 C ATOM 1419 C LEU A 92 -5.214 17.201 5.459 1.00 0.00 C ATOM 1420 O LEU A 92 -5.751 18.221 5.024 1.00 0.00 O ATOM 1421 CB LEU A 92 -4.970 16.172 7.726 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.547 15.397 8.911 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.464 15.107 9.938 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.694 16.170 9.546 1.00 0.00 C ATOM 0 H LEU A 92 -6.070 14.261 6.596 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.806 16.863 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.067 15.663 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.668 17.159 8.076 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.935 14.446 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.894 14.555 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.675 14.512 9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.045 16.046 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.093 15.604 10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.331 17.136 9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.481 16.325 8.808 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.028 16.774 5.041 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.269 17.495 4.025 1.00 0.00 C ATOM 1438 C LEU A 93 -3.691 17.065 2.623 1.00 0.00 C ATOM 1439 O LEU A 93 -4.380 16.059 2.453 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.770 17.257 4.214 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.318 15.797 4.225 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -0.974 15.334 2.818 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.128 15.614 5.155 1.00 0.00 C ATOM 0 H LEU A 93 -3.571 15.932 5.390 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.478 18.559 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.237 17.775 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.465 17.718 5.154 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.140 15.185 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.654 14.292 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.852 15.427 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.168 15.950 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.180 14.568 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.699 16.238 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.409 15.905 6.167 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.271 17.832 1.623 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.601 17.528 0.236 1.00 0.00 C ATOM 1457 C ALA A 94 -2.783 16.349 -0.277 1.00 0.00 C ATOM 1458 O ALA A 94 -3.307 15.250 -0.459 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.376 18.751 -0.641 1.00 0.00 C ATOM 0 H ALA A 94 -2.701 18.669 1.747 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.655 17.252 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.626 18.509 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.010 19.568 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.330 19.053 -0.582 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.496 16.584 -0.510 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.606 15.540 -1.002 1.00 0.00 C ATOM 1467 C ILE A 95 0.389 15.114 0.073 1.00 0.00 C ATOM 1468 O ILE A 95 1.067 15.937 0.688 1.00 0.00 O ATOM 1469 CB ILE A 95 0.171 16.004 -2.249 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.794 16.552 -3.303 1.00 0.00 C ATOM 1471 CG2 ILE A 95 0.992 14.857 -2.819 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.630 15.482 -3.970 1.00 0.00 C ATOM 0 H ILE A 95 -1.047 17.488 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.234 14.690 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 95 0.853 16.803 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.456 17.280 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.224 17.084 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.535 15.201 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.701 14.509 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.329 14.038 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.291 15.942 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.975 14.767 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.227 14.966 -3.218 1.00 0.00 H new ATOM 1484 N PRO A 96 0.480 13.796 0.305 1.00 0.00 N ATOM 1485 CA PRO A 96 1.391 13.229 1.304 1.00 0.00 C ATOM 1486 C PRO A 96 2.854 13.358 0.894 1.00 0.00 C ATOM 1487 O PRO A 96 3.165 13.889 -0.172 1.00 0.00 O ATOM 1488 CB PRO A 96 0.980 11.756 1.363 1.00 0.00 C ATOM 1489 CG PRO A 96 0.370 11.479 0.033 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.298 12.757 -0.391 1.00 0.00 C ATOM 0 HA PRO A 96 1.318 13.745 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.840 11.112 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.270 11.575 2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.129 11.177 -0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.351 10.664 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.266 12.888 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.348 12.778 -0.099 1.00 0.00 H new ATOM 1498 N ASP A 97 3.747 12.869 1.747 1.00 0.00 N ATOM 1499 CA ASP A 97 5.178 12.928 1.472 1.00 0.00 C ATOM 1500 C ASP A 97 5.670 11.616 0.869 1.00 0.00 C ATOM 1501 O ASP A 97 5.812 10.613 1.569 1.00 0.00 O ATOM 1502 CB ASP A 97 5.953 13.237 2.754 1.00 0.00 C ATOM 1503 CG ASP A 97 5.830 14.689 3.169 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.688 15.159 3.352 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.876 15.357 3.311 1.00 0.00 O ATOM 0 H ASP A 97 3.506 12.428 2.634 1.00 0.00 H new ATOM 0 HA ASP A 97 5.352 13.726 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.587 12.600 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.005 12.992 2.607 1.00 0.00 H new ATOM 1510 N LYS A 98 5.929 11.630 -0.434 1.00 0.00 N ATOM 1511 CA LYS A 98 6.405 10.442 -1.133 1.00 0.00 C ATOM 1512 C LYS A 98 7.447 9.702 -0.300 1.00 0.00 C ATOM 1513 O LYS A 98 7.444 8.472 -0.234 1.00 0.00 O ATOM 1514 CB LYS A 98 7.001 10.828 -2.489 1.00 0.00 C ATOM 1515 CG LYS A 98 7.858 9.738 -3.109 1.00 0.00 C ATOM 1516 CD LYS A 98 9.309 9.854 -2.675 1.00 0.00 C ATOM 1517 CE LYS A 98 10.255 9.323 -3.741 1.00 0.00 C ATOM 1518 NZ LYS A 98 11.611 9.929 -3.632 1.00 0.00 N ATOM 0 H LYS A 98 5.817 12.452 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 98 5.555 9.779 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.191 11.076 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.604 11.728 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.469 8.761 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.796 9.800 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.545 10.897 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.458 9.301 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.333 8.240 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.843 9.531 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.225 9.541 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.540 10.960 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.016 9.709 -2.699 1.00 0.00 H new ATOM 1532 N LEU A 99 8.336 10.458 0.335 1.00 0.00 N ATOM 1533 CA LEU A 99 9.383 9.873 1.166 1.00 0.00 C ATOM 1534 C LEU A 99 8.781 9.063 2.309 1.00 0.00 C ATOM 1535 O LEU A 99 9.215 7.944 2.587 1.00 0.00 O ATOM 1536 CB LEU A 99 10.289 10.971 1.725 1.00 0.00 C ATOM 1537 CG LEU A 99 10.955 11.882 0.694 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.353 13.206 1.329 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.168 11.197 0.081 1.00 0.00 C ATOM 0 H LEU A 99 8.353 11.477 0.290 1.00 0.00 H new ATOM 0 HA LEU A 99 9.976 9.203 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.700 11.591 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.070 10.501 2.323 1.00 0.00 H new ATOM 0 HG LEU A 99 10.237 12.085 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.826 13.841 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.465 13.704 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.054 13.023 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.629 11.860 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.889 10.964 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.856 10.276 -0.411 1.00 0.00 H new ATOM 1551 N THR A 100 7.778 9.633 2.969 1.00 0.00 N ATOM 1552 CA THR A 100 7.116 8.964 4.082 1.00 0.00 C ATOM 1553 C THR A 100 6.379 7.716 3.612 1.00 0.00 C ATOM 1554 O THR A 100 6.612 6.617 4.117 1.00 0.00 O ATOM 1555 CB THR A 100 6.118 9.901 4.788 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.799 11.060 5.280 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.426 9.186 5.938 1.00 0.00 C ATOM 0 H THR A 100 7.406 10.558 2.752 1.00 0.00 H new ATOM 0 HA THR A 100 7.896 8.678 4.788 1.00 0.00 H new ATOM 0 HB THR A 100 5.363 10.205 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.158 11.652 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.726 9.867 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.885 8.321 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.171 8.857 6.663 1.00 0.00 H new ATOM 1565 N VAL A 101 5.487 7.891 2.641 1.00 0.00 N ATOM 1566 CA VAL A 101 4.716 6.777 2.101 1.00 0.00 C ATOM 1567 C VAL A 101 5.629 5.636 1.667 1.00 0.00 C ATOM 1568 O VAL A 101 5.583 4.543 2.230 1.00 0.00 O ATOM 1569 CB VAL A 101 3.857 7.219 0.901 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.088 6.037 0.331 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.909 8.337 1.308 1.00 0.00 C ATOM 0 H VAL A 101 5.281 8.793 2.213 1.00 0.00 H new ATOM 0 HA VAL A 101 4.060 6.429 2.899 1.00 0.00 H new ATOM 0 HB VAL A 101 4.518 7.600 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.487 6.368 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.790 5.272 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.435 5.623 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.310 8.637 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.252 7.985 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.485 9.191 1.664 1.00 0.00 H new ATOM 1581 N MET A 102 6.457 5.899 0.662 1.00 0.00 N ATOM 1582 CA MET A 102 7.383 4.893 0.152 1.00 0.00 C ATOM 1583 C MET A 102 7.958 4.057 1.291 1.00 0.00 C ATOM 1584 O MET A 102 7.930 2.826 1.248 1.00 0.00 O ATOM 1585 CB MET A 102 8.517 5.561 -0.628 1.00 0.00 C ATOM 1586 CG MET A 102 8.182 5.815 -2.089 1.00 0.00 C ATOM 1587 SD MET A 102 9.639 5.783 -3.150 1.00 0.00 S ATOM 1588 CE MET A 102 9.276 4.364 -4.181 1.00 0.00 C ATOM 0 H MET A 102 6.506 6.799 0.184 1.00 0.00 H new ATOM 0 HA MET A 102 6.831 4.233 -0.517 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.766 6.509 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.406 4.932 -0.571 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.471 5.063 -2.431 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.690 6.783 -2.182 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.058 3.615 -4.058 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.316 3.938 -3.889 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.232 4.674 -5.225 1.00 0.00 H new ATOM 1598 N THR A 103 8.479 4.732 2.311 1.00 0.00 N ATOM 1599 CA THR A 103 9.061 4.051 3.461 1.00 0.00 C ATOM 1600 C THR A 103 8.154 2.930 3.953 1.00 0.00 C ATOM 1601 O THR A 103 8.559 1.768 4.005 1.00 0.00 O ATOM 1602 CB THR A 103 9.323 5.031 4.620 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.205 6.074 4.191 1.00 0.00 O ATOM 1604 CG2 THR A 103 9.928 4.307 5.814 1.00 0.00 C ATOM 0 H THR A 103 8.510 5.750 2.364 1.00 0.00 H new ATOM 0 HA THR A 103 10.010 3.628 3.131 1.00 0.00 H new ATOM 0 HB THR A 103 8.370 5.464 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.716 6.702 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.104 5.019 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.241 3.534 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.873 3.849 5.521 1.00 0.00 H new ATOM 1612 N TYR A 104 6.926 3.283 4.313 1.00 0.00 N ATOM 1613 CA TYR A 104 5.961 2.306 4.803 1.00 0.00 C ATOM 1614 C TYR A 104 5.826 1.139 3.830 1.00 0.00 C ATOM 1615 O TYR A 104 5.974 -0.023 4.210 1.00 0.00 O ATOM 1616 CB TYR A 104 4.598 2.966 5.018 1.00 0.00 C ATOM 1617 CG TYR A 104 3.587 2.063 5.687 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.912 1.354 6.837 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.305 1.920 5.169 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.991 0.528 7.450 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.377 1.096 5.777 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.725 0.402 6.917 1.00 0.00 C ATOM 1623 OH TYR A 104 0.804 -0.419 7.526 1.00 0.00 O ATOM 0 H TYR A 104 6.574 4.240 4.275 1.00 0.00 H new ATOM 0 HA TYR A 104 6.324 1.921 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.729 3.862 5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.203 3.288 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.902 1.451 7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.030 2.462 4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.261 -0.017 8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.385 0.996 5.362 1.00 0.00 H new ATOM 0 HH TYR A 104 0.981 -0.451 8.489 1.00 0.00 H new ATOM 1633 N LEU A 105 5.544 1.457 2.571 1.00 0.00 N ATOM 1634 CA LEU A 105 5.389 0.436 1.541 1.00 0.00 C ATOM 1635 C LEU A 105 6.530 -0.574 1.598 1.00 0.00 C ATOM 1636 O LEU A 105 6.302 -1.777 1.730 1.00 0.00 O ATOM 1637 CB LEU A 105 5.336 1.085 0.156 1.00 0.00 C ATOM 1638 CG LEU A 105 3.964 1.585 -0.299 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.100 2.471 -1.528 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.038 0.412 -0.585 1.00 0.00 C ATOM 0 H LEU A 105 5.418 2.413 2.239 1.00 0.00 H new ATOM 0 HA LEU A 105 4.453 -0.091 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.029 1.926 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.698 0.363 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 105 3.529 2.178 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.114 2.818 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.728 3.329 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.555 1.902 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.066 0.786 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.468 -0.207 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.916 -0.184 0.319 1.00 0.00 H new ATOM 1652 N TYR A 106 7.758 -0.077 1.501 1.00 0.00 N ATOM 1653 CA TYR A 106 8.936 -0.936 1.542 1.00 0.00 C ATOM 1654 C TYR A 106 8.775 -2.031 2.592 1.00 0.00 C ATOM 1655 O TYR A 106 9.238 -3.156 2.407 1.00 0.00 O ATOM 1656 CB TYR A 106 10.187 -0.108 1.840 1.00 0.00 C ATOM 1657 CG TYR A 106 10.710 0.651 0.641 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.829 0.035 -0.599 1.00 0.00 C ATOM 1659 CD2 TYR A 106 11.083 1.985 0.748 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.307 0.724 -1.696 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.561 2.683 -0.345 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.672 2.048 -1.564 1.00 0.00 C ATOM 1663 OH TYR A 106 12.147 2.739 -2.655 1.00 0.00 O ATOM 0 H TYR A 106 7.964 0.916 1.393 1.00 0.00 H new ATOM 0 HA TYR A 106 9.045 -1.407 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.963 0.600 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.970 -0.769 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.543 -1.001 -0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.998 2.485 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.395 0.229 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.846 3.720 -0.245 1.00 0.00 H new ATOM 0 HH TYR A 106 12.358 3.659 -2.393 1.00 0.00 H new ATOM 1673 N GLN A 107 8.115 -1.692 3.695 1.00 0.00 N ATOM 1674 CA GLN A 107 7.892 -2.645 4.775 1.00 0.00 C ATOM 1675 C GLN A 107 6.997 -3.790 4.315 1.00 0.00 C ATOM 1676 O GLN A 107 7.378 -4.959 4.393 1.00 0.00 O ATOM 1677 CB GLN A 107 7.265 -1.944 5.982 1.00 0.00 C ATOM 1678 CG GLN A 107 8.052 -0.734 6.459 1.00 0.00 C ATOM 1679 CD GLN A 107 9.151 -1.102 7.436 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.631 -2.236 7.451 1.00 0.00 O ATOM 1681 NE2 GLN A 107 9.557 -0.142 8.260 1.00 0.00 N ATOM 0 H GLN A 107 7.726 -0.764 3.864 1.00 0.00 H new ATOM 0 HA GLN A 107 8.858 -3.058 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.253 -1.631 5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.179 -2.657 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.490 -0.228 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.372 -0.026 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.132 0.784 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.294 -0.331 8.939 1.00 0.00 H new ATOM 1690 N ILE A 108 5.806 -3.448 3.836 1.00 0.00 N ATOM 1691 CA ILE A 108 4.856 -4.448 3.363 1.00 0.00 C ATOM 1692 C ILE A 108 5.507 -5.389 2.355 1.00 0.00 C ATOM 1693 O ILE A 108 5.551 -6.602 2.562 1.00 0.00 O ATOM 1694 CB ILE A 108 3.624 -3.791 2.714 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.798 -3.052 3.769 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.776 -4.838 2.008 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.207 -1.607 3.954 1.00 0.00 C ATOM 0 H ILE A 108 5.475 -2.486 3.765 1.00 0.00 H new ATOM 0 HA ILE A 108 4.536 -5.018 4.235 1.00 0.00 H new ATOM 0 HB ILE A 108 3.964 -3.067 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.746 -3.090 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.892 -3.572 4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.909 -4.358 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.369 -5.324 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.442 -5.583 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.579 -1.146 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.250 -1.561 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.087 -1.071 3.012 1.00 0.00 H new ATOM 1709 N ARG A 109 6.012 -4.822 1.265 1.00 0.00 N ATOM 1710 CA ARG A 109 6.661 -5.611 0.224 1.00 0.00 C ATOM 1711 C ARG A 109 7.677 -6.576 0.828 1.00 0.00 C ATOM 1712 O ARG A 109 7.770 -7.732 0.416 1.00 0.00 O ATOM 1713 CB ARG A 109 7.352 -4.692 -0.785 1.00 0.00 C ATOM 1714 CG ARG A 109 8.244 -5.431 -1.770 1.00 0.00 C ATOM 1715 CD ARG A 109 9.399 -4.559 -2.237 1.00 0.00 C ATOM 1716 NE ARG A 109 10.577 -5.351 -2.583 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.702 -6.023 -3.722 1.00 0.00 C ATOM 1718 NH1 ARG A 109 9.728 -5.999 -4.620 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.805 -6.721 -3.964 1.00 0.00 N ATOM 0 H ARG A 109 5.985 -3.819 1.079 1.00 0.00 H new ATOM 0 HA ARG A 109 5.894 -6.192 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.593 -4.139 -1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.951 -3.958 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.635 -6.334 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.654 -5.747 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.086 -3.977 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.658 -3.848 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 109 11.345 -5.390 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.879 -5.463 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.827 -6.516 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.557 -6.741 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.900 -7.237 -4.839 1.00 0.00 H new ATOM 1733 N ALA A 110 8.436 -6.093 1.806 1.00 0.00 N ATOM 1734 CA ALA A 110 9.443 -6.913 2.467 1.00 0.00 C ATOM 1735 C ALA A 110 8.795 -8.022 3.290 1.00 0.00 C ATOM 1736 O ALA A 110 9.223 -9.176 3.242 1.00 0.00 O ATOM 1737 CB ALA A 110 10.331 -6.049 3.350 1.00 0.00 C ATOM 0 H ALA A 110 8.372 -5.138 2.158 1.00 0.00 H new ATOM 0 HA ALA A 110 10.058 -7.379 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.079 -6.675 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.830 -5.297 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.721 -5.556 4.107 1.00 0.00 H new ATOM 1743 N HIS A 111 7.761 -7.665 4.045 1.00 0.00 N ATOM 1744 CA HIS A 111 7.054 -8.630 4.878 1.00 0.00 C ATOM 1745 C HIS A 111 6.665 -9.865 4.070 1.00 0.00 C ATOM 1746 O HIS A 111 7.072 -10.982 4.389 1.00 0.00 O ATOM 1747 CB HIS A 111 5.806 -7.992 5.488 1.00 0.00 C ATOM 1748 CG HIS A 111 5.237 -8.766 6.637 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.322 -8.342 7.947 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.571 -9.944 6.668 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.735 -9.226 8.733 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.270 -10.208 7.982 1.00 0.00 N ATOM 0 H HIS A 111 7.394 -6.715 4.097 1.00 0.00 H new ATOM 0 HA HIS A 111 7.724 -8.939 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.051 -6.985 5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.044 -7.893 4.715 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.322 -10.562 5.818 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.650 -9.158 9.807 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.769 -11.029 8.322 1.00 0.00 H new ATOM 1761 N PHE A 112 5.875 -9.655 3.022 1.00 0.00 N ATOM 1762 CA PHE A 112 5.429 -10.750 2.169 1.00 0.00 C ATOM 1763 C PHE A 112 6.588 -11.302 1.343 1.00 0.00 C ATOM 1764 O PHE A 112 6.799 -12.513 1.281 1.00 0.00 O ATOM 1765 CB PHE A 112 4.306 -10.279 1.243 1.00 0.00 C ATOM 1766 CG PHE A 112 3.058 -9.873 1.973 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.339 -10.799 2.710 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.604 -8.565 1.920 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.190 -10.429 3.384 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.456 -8.189 2.592 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.747 -9.122 3.323 1.00 0.00 C ATOM 0 H PHE A 112 5.531 -8.736 2.743 1.00 0.00 H new ATOM 0 HA PHE A 112 5.051 -11.546 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.663 -9.435 0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.064 -11.078 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.680 -11.823 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.153 -7.832 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.640 -11.161 3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.114 -7.166 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.152 -8.830 3.846 1.00 0.00 H new