USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 TYR OH : rot -168:sc= -0.25 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -3.42! C(o=-3.7!,f=-11!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.116 (180deg=-0.586) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00626 USER MOD Single : A 18 CYS SG : rot -130:sc= 0.94 USER MOD Single : A 19 GLN : amide:sc= -0.972 X(o=-0.97,f=-0.97) USER MOD Single : A 20 GLN : amide:sc= -0.0606 K(o=-0.061,f=-2.5!) USER MOD Single : A 21 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 22 THR OG1 : rot -75:sc= 0.391 USER MOD Single : A 26 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 29 ASN : amide:sc= -0.784 K(o=-0.78,f=-0.025) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 36 SER OG : rot -70:sc= 0.447 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 67:sc= -0.861 USER MOD Single : A 56 ASN : amide:sc= -2.12! K(o=-2.1!,f=0.029) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.8! C(o=-4.8!,f=-3.6!) USER MOD Single : A 68 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= -2.26 K(o=-2.3,f=-5.9!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 169:sc= -0.285 (180deg=-0.572) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc=-0.00279 K(o=-0.0028,f=-1.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -165:sc= -0.477 (180deg=-1.05) USER MOD Single : A 104 MET CE :methyl -121:sc= -1.08 (180deg=-2.79!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 72:sc= 1.24 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 15:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.302 -8.365 2.618 1.00 0.00 N ATOM 136 CA SER A 12 -7.386 -8.550 4.062 1.00 0.00 C ATOM 137 C SER A 12 -6.476 -7.565 4.789 1.00 0.00 C ATOM 138 O SER A 12 -6.922 -6.816 5.660 1.00 0.00 O ATOM 139 CB SER A 12 -7.007 -9.984 4.436 1.00 0.00 C ATOM 140 OG SER A 12 -6.481 -10.046 5.750 1.00 0.00 O ATOM 0 HA SER A 12 -8.415 -8.362 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.884 -10.627 4.361 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.271 -10.366 3.728 1.00 0.00 H new ATOM 0 HG SER A 12 -6.248 -10.973 5.966 1.00 0.00 H new ATOM 146 N LYS A 13 -5.198 -7.571 4.427 1.00 0.00 N ATOM 147 CA LYS A 13 -4.223 -6.679 5.043 1.00 0.00 C ATOM 148 C LYS A 13 -4.513 -5.225 4.683 1.00 0.00 C ATOM 149 O LYS A 13 -4.465 -4.341 5.540 1.00 0.00 O ATOM 150 CB LYS A 13 -2.807 -7.052 4.598 1.00 0.00 C ATOM 151 CG LYS A 13 -1.732 -6.652 5.594 1.00 0.00 C ATOM 152 CD LYS A 13 -1.210 -5.252 5.318 1.00 0.00 C ATOM 153 CE LYS A 13 -0.314 -5.223 4.089 1.00 0.00 C ATOM 154 NZ LYS A 13 0.873 -6.108 4.247 1.00 0.00 N ATOM 0 H LYS A 13 -4.813 -8.185 3.709 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.299 -6.790 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.758 -8.129 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.599 -6.575 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.136 -6.698 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.908 -7.364 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.049 -4.572 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.654 -4.893 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.886 -5.535 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.017 -4.201 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.631 -5.789 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.207 -6.068 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.611 -7.086 4.010 1.00 0.00 H new ATOM 168 N LEU A 14 -4.816 -4.983 3.412 1.00 0.00 N ATOM 169 CA LEU A 14 -5.116 -3.636 2.940 1.00 0.00 C ATOM 170 C LEU A 14 -6.176 -2.976 3.816 1.00 0.00 C ATOM 171 O LEU A 14 -5.955 -1.898 4.371 1.00 0.00 O ATOM 172 CB LEU A 14 -5.593 -3.679 1.487 1.00 0.00 C ATOM 173 CG LEU A 14 -6.045 -2.346 0.890 1.00 0.00 C ATOM 174 CD1 LEU A 14 -4.904 -1.341 0.900 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.570 -2.545 -0.524 1.00 0.00 C ATOM 0 H LEU A 14 -4.860 -5.702 2.690 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.203 -3.044 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.785 -4.075 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.421 -4.385 1.418 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.854 -1.952 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.245 -0.399 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.575 -1.175 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.073 -1.728 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.887 -1.586 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.781 -2.963 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.418 -3.229 -0.504 1.00 0.00 H new ATOM 187 N LEU A 15 -7.327 -3.628 3.937 1.00 0.00 N ATOM 188 CA LEU A 15 -8.421 -3.105 4.747 1.00 0.00 C ATOM 189 C LEU A 15 -7.900 -2.535 6.063 1.00 0.00 C ATOM 190 O LEU A 15 -8.107 -1.360 6.368 1.00 0.00 O ATOM 191 CB LEU A 15 -9.446 -4.206 5.026 1.00 0.00 C ATOM 192 CG LEU A 15 -10.568 -3.847 6.001 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.633 -3.014 5.306 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.179 -5.106 6.598 1.00 0.00 C ATOM 0 H LEU A 15 -7.527 -4.520 3.484 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.902 -2.302 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.896 -4.504 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.918 -5.076 5.416 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.143 -3.254 6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.423 -2.768 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.186 -2.095 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.054 -3.581 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.976 -4.831 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.589 -5.725 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.411 -5.665 7.133 1.00 0.00 H new ATOM 206 N THR A 16 -7.221 -3.375 6.839 1.00 0.00 N ATOM 207 CA THR A 16 -6.670 -2.955 8.120 1.00 0.00 C ATOM 208 C THR A 16 -6.121 -1.535 8.044 1.00 0.00 C ATOM 209 O THR A 16 -6.680 -0.611 8.637 1.00 0.00 O ATOM 210 CB THR A 16 -5.548 -3.902 8.587 1.00 0.00 C ATOM 211 OG1 THR A 16 -5.981 -5.263 8.483 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.147 -3.600 10.022 1.00 0.00 C ATOM 0 H THR A 16 -7.040 -4.350 6.602 1.00 0.00 H new ATOM 0 HA THR A 16 -7.487 -2.988 8.841 1.00 0.00 H new ATOM 0 HB THR A 16 -4.681 -3.747 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.262 -5.859 8.780 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.354 -4.281 10.329 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.790 -2.572 10.091 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.010 -3.729 10.676 1.00 0.00 H new ATOM 220 N TRP A 17 -5.027 -1.367 7.311 1.00 0.00 N ATOM 221 CA TRP A 17 -4.403 -0.057 7.158 1.00 0.00 C ATOM 222 C TRP A 17 -5.458 1.040 7.064 1.00 0.00 C ATOM 223 O TRP A 17 -5.488 1.957 7.885 1.00 0.00 O ATOM 224 CB TRP A 17 -3.515 -0.036 5.913 1.00 0.00 C ATOM 225 CG TRP A 17 -2.704 1.218 5.784 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.581 1.544 6.490 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.954 2.313 4.896 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.118 2.776 6.094 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.943 3.268 5.117 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.933 2.579 3.935 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.885 4.468 4.413 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.875 3.771 3.237 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.856 4.702 3.478 1.00 0.00 C ATOM 0 H TRP A 17 -4.553 -2.121 6.813 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.788 0.131 8.038 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.843 -0.894 5.940 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.140 -0.149 5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.124 0.925 7.248 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.294 3.247 6.467 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.721 1.866 3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.102 5.188 4.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.628 3.988 2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.837 5.623 2.914 1.00 0.00 H new ATOM 244 N CYS A 18 -6.321 0.940 6.059 1.00 0.00 N ATOM 245 CA CYS A 18 -7.377 1.926 5.858 1.00 0.00 C ATOM 246 C CYS A 18 -8.181 2.129 7.137 1.00 0.00 C ATOM 247 O CYS A 18 -8.280 3.245 7.648 1.00 0.00 O ATOM 248 CB CYS A 18 -8.304 1.486 4.723 1.00 0.00 C ATOM 249 SG CYS A 18 -7.587 1.664 3.073 1.00 0.00 S ATOM 0 H CYS A 18 -6.310 0.187 5.371 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.910 2.874 5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.579 0.443 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.224 2.069 4.773 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.424 2.291 2.301 1.00 0.00 H new ATOM 255 N GLN A 19 -8.755 1.045 7.649 1.00 0.00 N ATOM 256 CA GLN A 19 -9.552 1.106 8.868 1.00 0.00 C ATOM 257 C GLN A 19 -8.787 1.808 9.985 1.00 0.00 C ATOM 258 O GLN A 19 -9.370 2.539 10.785 1.00 0.00 O ATOM 259 CB GLN A 19 -9.950 -0.302 9.313 1.00 0.00 C ATOM 260 CG GLN A 19 -11.059 -0.915 8.474 1.00 0.00 C ATOM 261 CD GLN A 19 -11.510 -2.265 8.998 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.823 -2.891 9.805 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.670 -2.721 8.539 1.00 0.00 N ATOM 0 H GLN A 19 -8.683 0.114 7.238 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.453 1.680 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.074 -0.949 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.270 -0.268 10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.911 -0.235 8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.713 -1.026 7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.207 -2.168 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.024 -3.624 8.855 1.00 0.00 H new ATOM 272 N GLN A 20 -7.478 1.580 10.033 1.00 0.00 N ATOM 273 CA GLN A 20 -6.634 2.190 11.053 1.00 0.00 C ATOM 274 C GLN A 20 -6.558 3.702 10.864 1.00 0.00 C ATOM 275 O GLN A 20 -6.764 4.465 11.807 1.00 0.00 O ATOM 276 CB GLN A 20 -5.228 1.588 11.009 1.00 0.00 C ATOM 277 CG GLN A 20 -5.189 0.109 11.357 1.00 0.00 C ATOM 278 CD GLN A 20 -5.200 -0.139 12.853 1.00 0.00 C ATOM 279 OE1 GLN A 20 -5.679 0.690 13.627 1.00 0.00 O ATOM 280 NE2 GLN A 20 -4.671 -1.284 13.267 1.00 0.00 N ATOM 0 H GLN A 20 -6.980 0.978 9.378 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.079 1.985 12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.812 1.729 10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.587 2.133 11.702 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.046 -0.390 10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.294 -0.339 10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.285 -1.942 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.650 -1.506 14.262 1.00 0.00 H new ATOM 289 N GLN A 21 -6.261 4.126 9.640 1.00 0.00 N ATOM 290 CA GLN A 21 -6.157 5.547 9.328 1.00 0.00 C ATOM 291 C GLN A 21 -7.470 6.265 9.620 1.00 0.00 C ATOM 292 O GLN A 21 -7.485 7.324 10.249 1.00 0.00 O ATOM 293 CB GLN A 21 -5.771 5.742 7.861 1.00 0.00 C ATOM 294 CG GLN A 21 -4.436 5.112 7.495 1.00 0.00 C ATOM 295 CD GLN A 21 -3.290 5.644 8.332 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.933 6.819 8.242 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.706 4.780 9.154 1.00 0.00 N ATOM 0 H GLN A 21 -6.088 3.506 8.848 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.380 5.976 9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.550 5.316 7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.732 6.809 7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.502 4.031 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.228 5.298 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.034 3.815 9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.929 5.081 9.743 1.00 0.00 H new ATOM 306 N THR A 22 -8.573 5.683 9.159 1.00 0.00 N ATOM 307 CA THR A 22 -9.891 6.269 9.369 1.00 0.00 C ATOM 308 C THR A 22 -10.315 6.159 10.829 1.00 0.00 C ATOM 309 O THR A 22 -11.126 6.950 11.310 1.00 0.00 O ATOM 310 CB THR A 22 -10.955 5.590 8.486 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.928 4.173 8.689 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.716 5.901 7.016 1.00 0.00 C ATOM 0 H THR A 22 -8.579 4.806 8.638 1.00 0.00 H new ATOM 0 HA THR A 22 -9.817 7.321 9.093 1.00 0.00 H new ATOM 0 HB THR A 22 -11.933 5.979 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.146 3.793 8.237 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.479 5.411 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.765 6.979 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.732 5.537 6.722 1.00 0.00 H new ATOM 320 N GLU A 23 -9.760 5.175 11.530 1.00 0.00 N ATOM 321 CA GLU A 23 -10.082 4.964 12.936 1.00 0.00 C ATOM 322 C GLU A 23 -10.026 6.278 13.711 1.00 0.00 C ATOM 323 O GLU A 23 -9.085 7.056 13.566 1.00 0.00 O ATOM 324 CB GLU A 23 -9.116 3.952 13.557 1.00 0.00 C ATOM 325 CG GLU A 23 -9.711 3.178 14.722 1.00 0.00 C ATOM 326 CD GLU A 23 -10.499 1.963 14.273 1.00 0.00 C ATOM 327 OE1 GLU A 23 -10.881 1.910 13.085 1.00 0.00 O ATOM 328 OE2 GLU A 23 -10.734 1.066 15.109 1.00 0.00 O ATOM 0 H GLU A 23 -9.086 4.512 11.147 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.097 4.571 12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.798 3.248 12.789 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.223 4.476 13.898 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.910 2.861 15.389 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.362 3.837 15.296 1.00 0.00 H new ATOM 335 N GLY A 24 -11.043 6.517 14.533 1.00 0.00 N ATOM 336 CA GLY A 24 -11.091 7.737 15.318 1.00 0.00 C ATOM 337 C GLY A 24 -12.109 8.727 14.788 1.00 0.00 C ATOM 338 O GLY A 24 -12.911 9.271 15.548 1.00 0.00 O ATOM 0 H GLY A 24 -11.834 5.888 14.669 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.332 7.491 16.352 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.105 8.202 15.323 1.00 0.00 H new ATOM 342 N TYR A 25 -12.077 8.963 13.481 1.00 0.00 N ATOM 343 CA TYR A 25 -13.002 9.898 12.850 1.00 0.00 C ATOM 344 C TYR A 25 -14.430 9.661 13.332 1.00 0.00 C ATOM 345 O TYR A 25 -14.714 8.664 13.995 1.00 0.00 O ATOM 346 CB TYR A 25 -12.936 9.764 11.328 1.00 0.00 C ATOM 347 CG TYR A 25 -11.910 10.668 10.684 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.587 10.266 10.548 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.264 11.926 10.210 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.647 11.089 9.961 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.330 12.756 9.620 1.00 0.00 C ATOM 352 CZ TYR A 25 -10.023 12.333 9.498 1.00 0.00 C ATOM 353 OH TYR A 25 -9.089 13.156 8.911 1.00 0.00 O ATOM 0 H TYR A 25 -11.421 8.520 12.838 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.706 10.908 13.132 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.707 8.729 11.072 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.918 9.986 10.909 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.289 9.292 10.908 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.287 12.260 10.305 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.623 10.761 9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.622 13.730 9.257 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.462 14.057 8.814 1.00 0.00 H new ATOM 363 N GLN A 26 -15.323 10.585 12.993 1.00 0.00 N ATOM 364 CA GLN A 26 -16.721 10.477 13.391 1.00 0.00 C ATOM 365 C GLN A 26 -17.608 10.181 12.186 1.00 0.00 C ATOM 366 O GLN A 26 -17.323 10.616 11.070 1.00 0.00 O ATOM 367 CB GLN A 26 -17.180 11.768 14.072 1.00 0.00 C ATOM 368 CG GLN A 26 -16.405 12.096 15.338 1.00 0.00 C ATOM 369 CD GLN A 26 -15.006 12.604 15.050 1.00 0.00 C ATOM 370 OE1 GLN A 26 -14.791 13.362 14.103 1.00 0.00 O ATOM 371 NE2 GLN A 26 -14.045 12.189 15.867 1.00 0.00 N ATOM 0 H GLN A 26 -15.103 11.416 12.444 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.810 9.651 14.096 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.079 12.595 13.370 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.239 11.684 14.316 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.950 12.848 15.909 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.343 11.205 15.963 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.268 11.561 16.639 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.084 12.498 15.722 1.00 0.00 H new ATOM 380 N HIS A 27 -18.685 9.438 12.419 1.00 0.00 N ATOM 381 CA HIS A 27 -19.615 9.083 11.353 1.00 0.00 C ATOM 382 C HIS A 27 -18.889 8.377 10.212 1.00 0.00 C ATOM 383 O HIS A 27 -19.337 8.406 9.065 1.00 0.00 O ATOM 384 CB HIS A 27 -20.322 10.333 10.827 1.00 0.00 C ATOM 385 CG HIS A 27 -21.373 10.862 11.753 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.723 10.764 11.493 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.265 11.494 12.945 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.401 11.315 12.484 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.540 11.766 13.378 1.00 0.00 N ATOM 0 H HIS A 27 -18.935 9.070 13.337 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.358 8.401 11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.581 11.112 10.650 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.780 10.104 9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.348 11.739 13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.477 11.385 12.552 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.782 12.239 14.248 1.00 0.00 H new ATOM 398 N VAL A 28 -17.766 7.743 10.534 1.00 0.00 N ATOM 399 CA VAL A 28 -16.978 7.029 9.536 1.00 0.00 C ATOM 400 C VAL A 28 -16.684 5.603 9.986 1.00 0.00 C ATOM 401 O VAL A 28 -15.743 5.361 10.741 1.00 0.00 O ATOM 402 CB VAL A 28 -15.647 7.750 9.251 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.822 6.968 8.241 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.904 9.166 8.759 1.00 0.00 C ATOM 0 H VAL A 28 -17.381 7.709 11.478 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.572 7.004 8.622 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.079 7.809 10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.885 7.493 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.608 5.975 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.380 6.875 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.953 9.661 8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.492 9.131 7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.452 9.722 9.520 1.00 0.00 H new ATOM 414 N ASN A 29 -17.496 4.661 9.518 1.00 0.00 N ATOM 415 CA ASN A 29 -17.323 3.257 9.872 1.00 0.00 C ATOM 416 C ASN A 29 -16.902 2.436 8.656 1.00 0.00 C ATOM 417 O ASN A 29 -17.730 2.080 7.818 1.00 0.00 O ATOM 418 CB ASN A 29 -18.620 2.693 10.457 1.00 0.00 C ATOM 419 CG ASN A 29 -18.614 1.178 10.523 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.954 0.586 11.377 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.352 0.544 9.620 1.00 0.00 N ATOM 0 H ASN A 29 -18.281 4.844 8.893 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.535 3.193 10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.769 3.097 11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.463 3.024 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.388 -0.475 9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.883 1.076 8.931 1.00 0.00 H new ATOM 428 N VAL A 30 -15.609 2.140 8.568 1.00 0.00 N ATOM 429 CA VAL A 30 -15.078 1.360 7.457 1.00 0.00 C ATOM 430 C VAL A 30 -15.063 -0.128 7.787 1.00 0.00 C ATOM 431 O VAL A 30 -14.327 -0.573 8.668 1.00 0.00 O ATOM 432 CB VAL A 30 -13.651 1.808 7.089 1.00 0.00 C ATOM 433 CG1 VAL A 30 -13.122 0.997 5.916 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.624 3.296 6.775 1.00 0.00 C ATOM 0 H VAL A 30 -14.910 2.429 9.253 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.736 1.533 6.606 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.001 1.629 7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.113 1.328 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.103 -0.060 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.771 1.141 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.608 3.595 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.287 3.503 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.957 3.858 7.647 1.00 0.00 H new ATOM 444 N THR A 31 -15.881 -0.895 7.073 1.00 0.00 N ATOM 445 CA THR A 31 -15.963 -2.334 7.289 1.00 0.00 C ATOM 446 C THR A 31 -15.591 -3.102 6.027 1.00 0.00 C ATOM 447 O THR A 31 -15.202 -4.269 6.091 1.00 0.00 O ATOM 448 CB THR A 31 -17.377 -2.755 7.734 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.355 -2.207 6.844 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.658 -2.289 9.155 1.00 0.00 C ATOM 0 H THR A 31 -16.496 -0.543 6.340 1.00 0.00 H new ATOM 0 HA THR A 31 -15.253 -2.576 8.080 1.00 0.00 H new ATOM 0 HB THR A 31 -17.433 -3.843 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.250 -2.481 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.662 -2.598 9.447 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.930 -2.733 9.834 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.584 -1.203 9.203 1.00 0.00 H new ATOM 458 N ASP A 32 -15.710 -2.442 4.881 1.00 0.00 N ATOM 459 CA ASP A 32 -15.384 -3.063 3.602 1.00 0.00 C ATOM 460 C ASP A 32 -14.594 -2.103 2.718 1.00 0.00 C ATOM 461 O ASP A 32 -14.234 -1.004 3.142 1.00 0.00 O ATOM 462 CB ASP A 32 -16.660 -3.504 2.884 1.00 0.00 C ATOM 463 CG ASP A 32 -17.185 -4.829 3.399 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.382 -4.953 4.626 1.00 0.00 O ATOM 465 OD2 ASP A 32 -17.399 -5.744 2.576 1.00 0.00 O ATOM 0 H ASP A 32 -16.030 -1.476 4.811 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.767 -3.939 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.427 -2.739 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.462 -3.585 1.815 1.00 0.00 H new ATOM 470 N LEU A 33 -14.326 -2.525 1.487 1.00 0.00 N ATOM 471 CA LEU A 33 -13.577 -1.704 0.543 1.00 0.00 C ATOM 472 C LEU A 33 -14.412 -1.402 -0.698 1.00 0.00 C ATOM 473 O LEU A 33 -13.882 -1.287 -1.804 1.00 0.00 O ATOM 474 CB LEU A 33 -12.280 -2.408 0.140 1.00 0.00 C ATOM 475 CG LEU A 33 -11.317 -2.745 1.279 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.449 -3.937 0.908 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.454 -1.540 1.621 1.00 0.00 C ATOM 0 H LEU A 33 -14.616 -3.431 1.120 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.334 -0.761 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.537 -3.333 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.756 -1.777 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.903 -3.008 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.770 -4.163 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.083 -4.802 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.871 -3.702 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.775 -1.798 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.876 -1.246 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.092 -0.712 1.930 1.00 0.00 H new ATOM 489 N THR A 34 -15.721 -1.273 -0.507 1.00 0.00 N ATOM 490 CA THR A 34 -16.630 -0.983 -1.609 1.00 0.00 C ATOM 491 C THR A 34 -17.529 0.203 -1.283 1.00 0.00 C ATOM 492 O THR A 34 -17.333 1.305 -1.797 1.00 0.00 O ATOM 493 CB THR A 34 -17.509 -2.202 -1.947 1.00 0.00 C ATOM 494 OG1 THR A 34 -17.985 -2.812 -0.742 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.729 -3.222 -2.764 1.00 0.00 C ATOM 0 H THR A 34 -16.176 -1.365 0.401 1.00 0.00 H new ATOM 0 HA THR A 34 -16.012 -0.739 -2.473 1.00 0.00 H new ATOM 0 HB THR A 34 -18.357 -1.858 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.544 -3.585 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.370 -4.074 -2.991 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.393 -2.763 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.864 -3.561 -2.193 1.00 0.00 H new ATOM 503 N THR A 35 -18.518 -0.028 -0.424 1.00 0.00 N ATOM 504 CA THR A 35 -19.448 1.022 -0.029 1.00 0.00 C ATOM 505 C THR A 35 -18.807 1.979 0.969 1.00 0.00 C ATOM 506 O THR A 35 -19.154 3.159 1.023 1.00 0.00 O ATOM 507 CB THR A 35 -20.729 0.433 0.592 1.00 0.00 C ATOM 508 OG1 THR A 35 -21.548 1.485 1.116 1.00 0.00 O ATOM 509 CG2 THR A 35 -20.389 -0.552 1.701 1.00 0.00 C ATOM 0 H THR A 35 -18.695 -0.933 0.011 1.00 0.00 H new ATOM 0 HA THR A 35 -19.710 1.569 -0.935 1.00 0.00 H new ATOM 0 HB THR A 35 -21.275 -0.097 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.361 1.103 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 35 -21.309 -0.955 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.790 -1.366 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.824 -0.041 2.481 1.00 0.00 H new ATOM 517 N SER A 36 -17.868 1.464 1.756 1.00 0.00 N ATOM 518 CA SER A 36 -17.179 2.273 2.755 1.00 0.00 C ATOM 519 C SER A 36 -16.548 3.505 2.114 1.00 0.00 C ATOM 520 O SER A 36 -16.157 4.446 2.805 1.00 0.00 O ATOM 521 CB SER A 36 -16.104 1.444 3.461 1.00 0.00 C ATOM 522 OG SER A 36 -16.607 0.175 3.840 1.00 0.00 O ATOM 0 H SER A 36 -17.567 0.490 1.721 1.00 0.00 H new ATOM 0 HA SER A 36 -17.914 2.603 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.246 1.316 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.750 1.977 4.344 1.00 0.00 H new ATOM 0 HG SER A 36 -17.253 0.283 4.569 1.00 0.00 H new ATOM 528 N TRP A 37 -16.451 3.492 0.790 1.00 0.00 N ATOM 529 CA TRP A 37 -15.867 4.608 0.054 1.00 0.00 C ATOM 530 C TRP A 37 -16.809 5.089 -1.043 1.00 0.00 C ATOM 531 O TRP A 37 -16.368 5.597 -2.074 1.00 0.00 O ATOM 532 CB TRP A 37 -14.524 4.199 -0.552 1.00 0.00 C ATOM 533 CG TRP A 37 -13.689 3.358 0.365 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.985 2.107 0.827 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.423 3.708 0.934 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.979 1.659 1.648 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.008 2.622 1.729 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.597 4.832 0.846 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.806 2.630 2.432 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.405 4.839 1.544 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.018 3.744 2.328 1.00 0.00 C ATOM 0 H TRP A 37 -16.769 2.721 0.203 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.707 5.428 0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.703 3.648 -1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.966 5.096 -0.819 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.879 1.552 0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.958 0.755 2.121 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.886 5.680 0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.506 1.787 3.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.760 5.703 1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.079 3.780 2.861 1.00 0.00 H new ATOM 552 N ARG A 38 -18.109 4.927 -0.816 1.00 0.00 N ATOM 553 CA ARG A 38 -19.113 5.344 -1.787 1.00 0.00 C ATOM 554 C ARG A 38 -19.448 6.824 -1.620 1.00 0.00 C ATOM 555 O ARG A 38 -19.929 7.470 -2.551 1.00 0.00 O ATOM 556 CB ARG A 38 -20.381 4.503 -1.634 1.00 0.00 C ATOM 557 CG ARG A 38 -21.248 4.915 -0.455 1.00 0.00 C ATOM 558 CD ARG A 38 -22.521 4.087 -0.383 1.00 0.00 C ATOM 559 NE ARG A 38 -23.501 4.500 -1.383 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.750 4.049 -1.419 1.00 0.00 C ATOM 561 NH1 ARG A 38 -25.168 3.175 -0.514 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.583 4.473 -2.361 1.00 0.00 N ATOM 0 H ARG A 38 -18.491 4.510 0.033 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.703 5.192 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -20.968 4.577 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.100 3.456 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.684 4.799 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.504 5.971 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.277 3.035 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.957 4.179 0.612 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.211 5.172 -2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.530 2.848 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -26.127 2.830 -0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.264 5.146 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.542 4.126 -2.388 1.00 0.00 H new ATOM 576 N SER A 39 -19.190 7.353 -0.429 1.00 0.00 N ATOM 577 CA SER A 39 -19.468 8.755 -0.139 1.00 0.00 C ATOM 578 C SER A 39 -18.212 9.605 -0.311 1.00 0.00 C ATOM 579 O SER A 39 -18.291 10.795 -0.613 1.00 0.00 O ATOM 580 CB SER A 39 -20.009 8.906 1.284 1.00 0.00 C ATOM 581 OG SER A 39 -20.559 10.196 1.486 1.00 0.00 O ATOM 0 H SER A 39 -18.789 6.832 0.351 1.00 0.00 H new ATOM 0 HA SER A 39 -20.221 9.104 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.771 8.149 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.207 8.733 2.002 1.00 0.00 H new ATOM 0 HG SER A 39 -20.899 10.267 2.402 1.00 0.00 H new ATOM 587 N GLY A 40 -17.053 8.983 -0.116 1.00 0.00 N ATOM 588 CA GLY A 40 -15.797 9.696 -0.253 1.00 0.00 C ATOM 589 C GLY A 40 -15.144 9.983 1.085 1.00 0.00 C ATOM 590 O GLY A 40 -13.924 9.884 1.223 1.00 0.00 O ATOM 0 H GLY A 40 -16.962 7.998 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.115 9.109 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.971 10.635 -0.778 1.00 0.00 H new ATOM 594 N LEU A 41 -15.956 10.342 2.073 1.00 0.00 N ATOM 595 CA LEU A 41 -15.451 10.646 3.407 1.00 0.00 C ATOM 596 C LEU A 41 -14.301 9.716 3.779 1.00 0.00 C ATOM 597 O LEU A 41 -13.244 10.165 4.220 1.00 0.00 O ATOM 598 CB LEU A 41 -16.573 10.526 4.439 1.00 0.00 C ATOM 599 CG LEU A 41 -17.780 11.441 4.228 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.866 11.136 5.247 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.363 12.902 4.311 1.00 0.00 C ATOM 0 H LEU A 41 -16.968 10.430 1.975 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.079 11.670 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.922 9.494 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.156 10.730 5.425 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.183 11.255 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.717 11.797 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.185 10.099 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.476 11.293 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.235 13.538 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.934 13.103 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.621 13.113 3.541 1.00 0.00 H new ATOM 613 N ALA A 42 -14.514 8.417 3.595 1.00 0.00 N ATOM 614 CA ALA A 42 -13.494 7.423 3.907 1.00 0.00 C ATOM 615 C ALA A 42 -12.116 7.888 3.448 1.00 0.00 C ATOM 616 O ALA A 42 -11.213 8.087 4.261 1.00 0.00 O ATOM 617 CB ALA A 42 -13.844 6.089 3.266 1.00 0.00 C ATOM 0 H ALA A 42 -15.384 8.028 3.231 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.464 7.296 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.074 5.356 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.805 5.744 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.904 6.210 2.184 1.00 0.00 H new ATOM 623 N LEU A 43 -11.961 8.059 2.139 1.00 0.00 N ATOM 624 CA LEU A 43 -10.692 8.500 1.571 1.00 0.00 C ATOM 625 C LEU A 43 -10.291 9.863 2.125 1.00 0.00 C ATOM 626 O LEU A 43 -9.215 10.017 2.704 1.00 0.00 O ATOM 627 CB LEU A 43 -10.789 8.565 0.046 1.00 0.00 C ATOM 628 CG LEU A 43 -9.465 8.708 -0.706 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.472 7.653 -0.244 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.690 8.610 -2.207 1.00 0.00 C ATOM 0 H LEU A 43 -12.698 7.899 1.452 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.926 7.776 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.287 7.661 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.428 9.406 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.049 9.691 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.536 7.770 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.286 7.771 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.881 6.661 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.737 8.714 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.130 7.642 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.365 9.404 -2.526 1.00 0.00 H new ATOM 642 N CYS A 44 -11.164 10.848 1.945 1.00 0.00 N ATOM 643 CA CYS A 44 -10.902 12.199 2.429 1.00 0.00 C ATOM 644 C CYS A 44 -10.270 12.167 3.816 1.00 0.00 C ATOM 645 O CYS A 44 -9.357 12.937 4.111 1.00 0.00 O ATOM 646 CB CYS A 44 -12.198 13.011 2.464 1.00 0.00 C ATOM 647 SG CYS A 44 -13.033 13.137 0.866 1.00 0.00 S ATOM 0 H CYS A 44 -12.059 10.737 1.468 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.202 12.675 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.880 12.557 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.976 14.015 2.826 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.466 11.964 0.509 1.00 0.00 H new ATOM 653 N ALA A 45 -10.764 11.272 4.666 1.00 0.00 N ATOM 654 CA ALA A 45 -10.247 11.139 6.022 1.00 0.00 C ATOM 655 C ALA A 45 -8.759 10.807 6.012 1.00 0.00 C ATOM 656 O ALA A 45 -7.972 11.421 6.733 1.00 0.00 O ATOM 657 CB ALA A 45 -11.023 10.073 6.780 1.00 0.00 C ATOM 0 H ALA A 45 -11.522 10.628 4.439 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.375 12.095 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.626 9.984 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.075 10.353 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.924 9.117 6.266 1.00 0.00 H new ATOM 663 N ILE A 46 -8.380 9.832 5.193 1.00 0.00 N ATOM 664 CA ILE A 46 -6.986 9.420 5.090 1.00 0.00 C ATOM 665 C ILE A 46 -6.099 10.581 4.654 1.00 0.00 C ATOM 666 O ILE A 46 -5.048 10.829 5.246 1.00 0.00 O ATOM 667 CB ILE A 46 -6.815 8.257 4.095 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.498 6.996 4.628 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.339 7.996 3.833 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.523 5.856 3.634 1.00 0.00 C ATOM 0 H ILE A 46 -9.019 9.313 4.591 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.682 9.087 6.082 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.288 8.533 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.984 6.668 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.521 7.240 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.235 7.171 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.880 8.892 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.843 7.738 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.022 4.996 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.063 6.165 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.502 5.585 3.366 1.00 0.00 H new ATOM 682 N ILE A 47 -6.531 11.291 3.618 1.00 0.00 N ATOM 683 CA ILE A 47 -5.778 12.429 3.105 1.00 0.00 C ATOM 684 C ILE A 47 -5.672 13.535 4.150 1.00 0.00 C ATOM 685 O ILE A 47 -4.595 13.795 4.688 1.00 0.00 O ATOM 686 CB ILE A 47 -6.424 13.003 1.830 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.483 11.935 0.737 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.650 14.221 1.347 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.473 12.250 -0.363 1.00 0.00 C ATOM 0 H ILE A 47 -7.398 11.099 3.117 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.780 12.064 2.864 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.442 13.313 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.491 11.819 0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.746 10.979 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.118 14.616 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.655 14.986 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.622 13.935 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.461 11.450 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.473 12.337 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.199 13.190 -0.841 1.00 0.00 H new ATOM 701 N HIS A 48 -6.798 14.182 4.435 1.00 0.00 N ATOM 702 CA HIS A 48 -6.833 15.258 5.419 1.00 0.00 C ATOM 703 C HIS A 48 -5.950 14.927 6.618 1.00 0.00 C ATOM 704 O HIS A 48 -5.250 15.792 7.144 1.00 0.00 O ATOM 705 CB HIS A 48 -8.269 15.509 5.881 1.00 0.00 C ATOM 706 CG HIS A 48 -8.362 16.083 7.261 1.00 0.00 C ATOM 707 ND1 HIS A 48 -7.880 15.437 8.379 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.885 17.252 7.700 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.103 16.183 9.446 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.712 17.290 9.061 1.00 0.00 N ATOM 0 H HIS A 48 -7.698 13.980 3.999 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.449 16.162 4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.754 16.189 5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.822 14.570 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.352 18.013 7.092 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.833 15.931 10.461 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.006 18.049 9.675 1.00 0.00 H new ATOM 719 N ARG A 49 -5.990 13.670 7.047 1.00 0.00 N ATOM 720 CA ARG A 49 -5.196 13.225 8.186 1.00 0.00 C ATOM 721 C ARG A 49 -3.774 13.772 8.103 1.00 0.00 C ATOM 722 O ARG A 49 -3.277 14.382 9.050 1.00 0.00 O ATOM 723 CB ARG A 49 -5.163 11.697 8.246 1.00 0.00 C ATOM 724 CG ARG A 49 -4.439 11.151 9.466 1.00 0.00 C ATOM 725 CD ARG A 49 -5.379 11.005 10.653 1.00 0.00 C ATOM 726 NE ARG A 49 -4.656 10.965 11.921 1.00 0.00 N ATOM 727 CZ ARG A 49 -5.242 10.751 13.094 1.00 0.00 C ATOM 728 NH1 ARG A 49 -6.552 10.558 13.159 1.00 0.00 N ATOM 729 NH2 ARG A 49 -4.517 10.729 14.205 1.00 0.00 N ATOM 0 H ARG A 49 -6.564 12.941 6.623 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.662 13.607 9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.186 11.319 8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.679 11.317 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.000 10.182 9.227 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.617 11.816 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.083 11.837 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.966 10.093 10.541 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.646 11.109 11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.113 10.574 12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.999 10.394 14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.509 10.876 14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.968 10.565 15.105 1.00 0.00 H new ATOM 743 N PHE A 50 -3.125 13.549 6.966 1.00 0.00 N ATOM 744 CA PHE A 50 -1.759 14.018 6.760 1.00 0.00 C ATOM 745 C PHE A 50 -1.743 15.498 6.389 1.00 0.00 C ATOM 746 O PHE A 50 -0.927 16.267 6.897 1.00 0.00 O ATOM 747 CB PHE A 50 -1.075 13.197 5.664 1.00 0.00 C ATOM 748 CG PHE A 50 -0.700 11.810 6.100 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.652 10.805 6.154 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.605 11.511 6.457 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.310 9.527 6.554 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.953 10.235 6.858 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.006 9.242 6.907 1.00 0.00 C ATOM 0 H PHE A 50 -3.522 13.046 6.172 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.212 13.890 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.739 13.131 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.178 13.721 5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.674 11.023 5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.359 12.284 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.062 8.752 6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.974 10.014 7.133 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.264 8.244 7.221 1.00 0.00 H new ATOM 763 N ARG A 51 -2.649 15.888 5.498 1.00 0.00 N ATOM 764 CA ARG A 51 -2.738 17.275 5.057 1.00 0.00 C ATOM 765 C ARG A 51 -4.178 17.775 5.123 1.00 0.00 C ATOM 766 O ARG A 51 -4.942 17.670 4.163 1.00 0.00 O ATOM 767 CB ARG A 51 -2.203 17.413 3.630 1.00 0.00 C ATOM 768 CG ARG A 51 -0.721 17.101 3.501 1.00 0.00 C ATOM 769 CD ARG A 51 0.134 18.310 3.845 1.00 0.00 C ATOM 770 NE ARG A 51 1.559 17.988 3.851 1.00 0.00 N ATOM 771 CZ ARG A 51 2.317 17.985 2.761 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.789 18.286 1.582 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.606 17.682 2.847 1.00 0.00 N ATOM 0 H ARG A 51 -3.331 15.264 5.068 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.130 17.883 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.764 16.747 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.383 18.430 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.464 16.272 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.503 16.778 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.055 19.105 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.156 18.692 4.824 1.00 0.00 H new ATOM 0 HE ARG A 51 1.996 17.752 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.799 18.520 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.373 18.283 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.016 17.451 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.187 17.680 2.008 1.00 0.00 H new ATOM 787 N PRO A 52 -4.558 18.331 6.282 1.00 0.00 N ATOM 788 CA PRO A 52 -5.908 18.859 6.502 1.00 0.00 C ATOM 789 C PRO A 52 -6.175 20.125 5.694 1.00 0.00 C ATOM 790 O PRO A 52 -7.325 20.465 5.419 1.00 0.00 O ATOM 791 CB PRO A 52 -5.930 19.167 8.001 1.00 0.00 C ATOM 792 CG PRO A 52 -4.502 19.395 8.361 1.00 0.00 C ATOM 793 CD PRO A 52 -3.700 18.489 7.468 1.00 0.00 C ATOM 0 HA PRO A 52 -6.677 18.154 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.538 20.046 8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.354 18.339 8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.223 20.438 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.323 19.166 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.736 18.929 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.496 17.531 7.947 1.00 0.00 H new ATOM 801 N GLU A 53 -5.104 20.816 5.316 1.00 0.00 N ATOM 802 CA GLU A 53 -5.224 22.045 4.540 1.00 0.00 C ATOM 803 C GLU A 53 -5.750 21.753 3.137 1.00 0.00 C ATOM 804 O GLU A 53 -6.186 22.658 2.424 1.00 0.00 O ATOM 805 CB GLU A 53 -3.870 22.753 4.452 1.00 0.00 C ATOM 806 CG GLU A 53 -2.802 21.938 3.742 1.00 0.00 C ATOM 807 CD GLU A 53 -2.066 21.000 4.679 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.592 19.901 4.952 1.00 0.00 O ATOM 809 OE2 GLU A 53 -0.964 21.365 5.138 1.00 0.00 O ATOM 0 H GLU A 53 -4.145 20.546 5.534 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.935 22.697 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.999 23.701 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.526 22.988 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.264 21.359 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.086 22.613 3.274 1.00 0.00 H new ATOM 816 N LEU A 54 -5.704 20.484 2.747 1.00 0.00 N ATOM 817 CA LEU A 54 -6.175 20.071 1.430 1.00 0.00 C ATOM 818 C LEU A 54 -7.662 19.733 1.464 1.00 0.00 C ATOM 819 O LEU A 54 -8.440 20.225 0.646 1.00 0.00 O ATOM 820 CB LEU A 54 -5.377 18.863 0.936 1.00 0.00 C ATOM 821 CG LEU A 54 -3.855 18.994 0.997 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.193 17.646 0.761 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.367 20.015 -0.021 1.00 0.00 C ATOM 0 H LEU A 54 -5.345 19.723 3.324 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.026 20.903 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.671 17.994 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.663 18.661 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.579 19.342 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.110 17.759 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.518 16.942 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.476 17.269 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.281 20.096 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.655 19.696 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.815 20.985 0.194 1.00 0.00 H new ATOM 835 N ILE A 55 -8.050 18.892 2.417 1.00 0.00 N ATOM 836 CA ILE A 55 -9.444 18.491 2.560 1.00 0.00 C ATOM 837 C ILE A 55 -9.978 18.842 3.944 1.00 0.00 C ATOM 838 O ILE A 55 -9.312 18.616 4.953 1.00 0.00 O ATOM 839 CB ILE A 55 -9.623 16.979 2.322 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.264 16.623 0.878 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.050 16.558 2.639 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.275 15.135 0.603 1.00 0.00 C ATOM 0 H ILE A 55 -7.419 18.475 3.101 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.008 19.039 1.805 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.950 16.439 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.967 17.114 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.275 17.019 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.160 15.488 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.272 16.782 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.741 17.103 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.012 14.956 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.551 14.640 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.270 14.736 0.799 1.00 0.00 H new ATOM 854 N ASN A 56 -11.186 19.396 3.983 1.00 0.00 N ATOM 855 CA ASN A 56 -11.811 19.779 5.244 1.00 0.00 C ATOM 856 C ASN A 56 -13.066 18.951 5.502 1.00 0.00 C ATOM 857 O ASN A 56 -14.173 19.354 5.143 1.00 0.00 O ATOM 858 CB ASN A 56 -12.161 21.268 5.233 1.00 0.00 C ATOM 859 CG ASN A 56 -12.608 21.746 3.865 1.00 0.00 C ATOM 860 OD1 ASN A 56 -12.294 22.864 3.453 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.344 20.900 3.154 1.00 0.00 N ATOM 0 H ASN A 56 -11.751 19.590 3.156 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.099 19.587 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.953 21.458 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.293 21.845 5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.674 21.166 2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.580 19.984 3.536 1.00 0.00 H new ATOM 868 N PHE A 57 -12.887 17.792 6.127 1.00 0.00 N ATOM 869 CA PHE A 57 -14.005 16.908 6.433 1.00 0.00 C ATOM 870 C PHE A 57 -15.162 17.687 7.051 1.00 0.00 C ATOM 871 O PHE A 57 -16.329 17.404 6.781 1.00 0.00 O ATOM 872 CB PHE A 57 -13.557 15.796 7.385 1.00 0.00 C ATOM 873 CG PHE A 57 -14.524 14.649 7.464 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.795 14.832 7.986 1.00 0.00 C ATOM 875 CD2 PHE A 57 -14.162 13.389 7.016 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.686 13.778 8.060 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.049 12.331 7.087 1.00 0.00 C ATOM 878 CZ PHE A 57 -16.313 12.526 7.609 1.00 0.00 C ATOM 0 H PHE A 57 -11.978 17.443 6.431 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.349 16.462 5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.586 15.421 7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.421 16.215 8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.092 15.809 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.175 13.231 6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.673 13.933 8.470 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.754 11.354 6.735 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.008 11.702 7.665 1.00 0.00 H new ATOM 888 N ASP A 58 -14.829 18.668 7.883 1.00 0.00 N ATOM 889 CA ASP A 58 -15.839 19.489 8.540 1.00 0.00 C ATOM 890 C ASP A 58 -16.901 19.944 7.544 1.00 0.00 C ATOM 891 O ASP A 58 -18.094 19.941 7.848 1.00 0.00 O ATOM 892 CB ASP A 58 -15.188 20.704 9.202 1.00 0.00 C ATOM 893 CG ASP A 58 -14.584 20.374 10.552 1.00 0.00 C ATOM 894 OD1 ASP A 58 -15.180 19.558 11.286 1.00 0.00 O ATOM 895 OD2 ASP A 58 -13.513 20.930 10.875 1.00 0.00 O ATOM 0 H ASP A 58 -13.867 18.914 8.118 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.322 18.883 9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.411 21.098 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.933 21.491 9.323 1.00 0.00 H new ATOM 900 N SER A 59 -16.459 20.338 6.354 1.00 0.00 N ATOM 901 CA SER A 59 -17.371 20.801 5.314 1.00 0.00 C ATOM 902 C SER A 59 -17.991 19.622 4.571 1.00 0.00 C ATOM 903 O SER A 59 -19.107 19.714 4.058 1.00 0.00 O ATOM 904 CB SER A 59 -16.634 21.710 4.328 1.00 0.00 C ATOM 905 OG SER A 59 -17.502 22.159 3.302 1.00 0.00 O ATOM 0 H SER A 59 -15.475 20.346 6.086 1.00 0.00 H new ATOM 0 HA SER A 59 -18.170 21.368 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.219 22.567 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.795 21.171 3.889 1.00 0.00 H new ATOM 0 HG SER A 59 -17.008 22.739 2.686 1.00 0.00 H new ATOM 911 N LEU A 60 -17.260 18.514 4.516 1.00 0.00 N ATOM 912 CA LEU A 60 -17.737 17.315 3.836 1.00 0.00 C ATOM 913 C LEU A 60 -18.970 16.748 4.531 1.00 0.00 C ATOM 914 O LEU A 60 -18.864 16.091 5.566 1.00 0.00 O ATOM 915 CB LEU A 60 -16.632 16.258 3.789 1.00 0.00 C ATOM 916 CG LEU A 60 -15.310 16.696 3.157 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.293 15.567 3.211 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.530 17.150 1.721 1.00 0.00 C ATOM 0 H LEU A 60 -16.334 18.421 4.934 1.00 0.00 H new ATOM 0 HA LEU A 60 -18.012 17.590 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.432 15.925 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.006 15.395 3.239 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.918 17.538 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.359 15.897 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.113 15.289 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.677 14.705 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.579 17.458 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.945 16.327 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.224 17.990 1.707 1.00 0.00 H new ATOM 930 N ASN A 61 -20.139 17.006 3.955 1.00 0.00 N ATOM 931 CA ASN A 61 -21.393 16.520 4.519 1.00 0.00 C ATOM 932 C ASN A 61 -21.852 15.249 3.810 1.00 0.00 C ATOM 933 O ASN A 61 -21.881 15.189 2.582 1.00 0.00 O ATOM 934 CB ASN A 61 -22.476 17.596 4.412 1.00 0.00 C ATOM 935 CG ASN A 61 -23.875 17.020 4.507 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.188 16.268 5.430 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.725 17.370 3.548 1.00 0.00 N ATOM 0 H ASN A 61 -20.244 17.549 3.098 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.223 16.288 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.334 18.331 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.367 18.124 3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.680 17.013 3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.422 17.996 2.802 1.00 0.00 H new ATOM 944 N GLU A 62 -22.210 14.237 4.594 1.00 0.00 N ATOM 945 CA GLU A 62 -22.668 12.968 4.041 1.00 0.00 C ATOM 946 C GLU A 62 -23.465 13.189 2.759 1.00 0.00 C ATOM 947 O GLU A 62 -23.165 12.601 1.720 1.00 0.00 O ATOM 948 CB GLU A 62 -23.524 12.219 5.064 1.00 0.00 C ATOM 949 CG GLU A 62 -24.530 13.104 5.780 1.00 0.00 C ATOM 950 CD GLU A 62 -25.867 13.162 5.068 1.00 0.00 C ATOM 951 OE1 GLU A 62 -26.049 12.414 4.085 1.00 0.00 O ATOM 952 OE2 GLU A 62 -26.732 13.956 5.494 1.00 0.00 O ATOM 0 H GLU A 62 -22.192 14.271 5.613 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.790 12.367 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -24.056 11.413 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.870 11.755 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.678 12.732 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.125 14.112 5.866 1.00 0.00 H new ATOM 959 N ASP A 63 -24.482 14.040 2.841 1.00 0.00 N ATOM 960 CA ASP A 63 -25.323 14.340 1.688 1.00 0.00 C ATOM 961 C ASP A 63 -24.474 14.745 0.487 1.00 0.00 C ATOM 962 O ASP A 63 -24.738 14.329 -0.641 1.00 0.00 O ATOM 963 CB ASP A 63 -26.313 15.455 2.028 1.00 0.00 C ATOM 964 CG ASP A 63 -27.608 15.337 1.249 1.00 0.00 C ATOM 965 OD1 ASP A 63 -28.234 14.257 1.298 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.997 16.325 0.592 1.00 0.00 O ATOM 0 H ASP A 63 -24.744 14.534 3.694 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.878 13.438 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.531 15.430 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.853 16.421 1.819 1.00 0.00 H new ATOM 971 N ASP A 64 -23.455 15.559 0.737 1.00 0.00 N ATOM 972 CA ASP A 64 -22.567 16.021 -0.324 1.00 0.00 C ATOM 973 C ASP A 64 -21.548 14.945 -0.686 1.00 0.00 C ATOM 974 O ASP A 64 -20.348 15.210 -0.751 1.00 0.00 O ATOM 975 CB ASP A 64 -21.846 17.300 0.106 1.00 0.00 C ATOM 976 CG ASP A 64 -22.793 18.474 0.261 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.913 18.410 -0.288 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.415 19.456 0.933 1.00 0.00 O ATOM 0 H ASP A 64 -23.223 15.913 1.665 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.173 16.234 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.332 17.124 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.082 17.548 -0.631 1.00 0.00 H new ATOM 983 N ALA A 65 -22.034 13.731 -0.919 1.00 0.00 N ATOM 984 CA ALA A 65 -21.166 12.615 -1.276 1.00 0.00 C ATOM 985 C ALA A 65 -20.425 12.891 -2.579 1.00 0.00 C ATOM 986 O ALA A 65 -19.195 12.867 -2.623 1.00 0.00 O ATOM 987 CB ALA A 65 -21.976 11.332 -1.388 1.00 0.00 C ATOM 0 H ALA A 65 -23.025 13.494 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.425 12.496 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.316 10.507 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.454 11.119 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.739 11.449 -2.157 1.00 0.00 H new ATOM 993 N VAL A 66 -21.181 13.153 -3.641 1.00 0.00 N ATOM 994 CA VAL A 66 -20.596 13.434 -4.946 1.00 0.00 C ATOM 995 C VAL A 66 -19.411 14.385 -4.823 1.00 0.00 C ATOM 996 O VAL A 66 -18.312 14.087 -5.291 1.00 0.00 O ATOM 997 CB VAL A 66 -21.633 14.046 -5.907 1.00 0.00 C ATOM 998 CG1 VAL A 66 -20.979 14.429 -7.225 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.783 13.077 -6.134 1.00 0.00 C ATOM 0 H VAL A 66 -22.201 13.176 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.254 12.482 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.035 14.952 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.727 14.859 -7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.192 15.161 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.548 13.542 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.507 13.525 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.400 12.153 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.267 12.858 -5.182 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.641 15.532 -4.191 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.591 16.527 -4.007 1.00 0.00 C ATOM 1011 C GLU A 67 -17.464 15.975 -3.139 1.00 0.00 C ATOM 1012 O GLU A 67 -16.287 16.144 -3.451 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.165 17.795 -3.371 1.00 0.00 C ATOM 1014 CG GLU A 67 -19.833 18.727 -4.368 1.00 0.00 C ATOM 1015 CD GLU A 67 -18.866 19.731 -4.965 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -18.243 20.487 -4.190 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -18.733 19.763 -6.206 1.00 0.00 O ATOM 0 H GLU A 67 -20.545 15.795 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.184 16.773 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.890 17.512 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.363 18.332 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.279 18.137 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.645 19.260 -3.874 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.836 15.314 -2.047 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.857 14.738 -1.133 1.00 0.00 C ATOM 1026 C ASN A 68 -15.901 13.808 -1.874 1.00 0.00 C ATOM 1027 O ASN A 68 -14.740 13.662 -1.494 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.563 13.973 -0.012 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.399 14.880 0.870 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.436 16.095 0.671 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.073 14.294 1.852 1.00 0.00 N ATOM 0 H ASN A 68 -18.807 15.164 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.279 15.554 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.202 13.204 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.819 13.461 0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.651 14.854 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.013 13.284 1.980 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.398 13.181 -2.936 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.589 12.265 -3.731 1.00 0.00 C ATOM 1040 C ASN A 69 -14.723 13.030 -4.728 1.00 0.00 C ATOM 1041 O ASN A 69 -13.497 12.924 -4.708 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.486 11.273 -4.474 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.171 10.299 -3.536 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.516 9.508 -2.856 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.498 10.351 -3.494 1.00 0.00 N ATOM 0 H ASN A 69 -17.357 13.291 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.935 11.716 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.240 11.821 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.888 10.718 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.014 9.720 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.001 11.022 -4.075 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.370 13.799 -5.597 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.658 14.581 -6.601 1.00 0.00 C ATOM 1054 C GLN A 70 -13.472 15.312 -5.982 1.00 0.00 C ATOM 1055 O GLN A 70 -12.385 15.356 -6.560 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.605 15.587 -7.259 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.039 16.219 -8.521 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.173 15.321 -9.734 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.279 14.947 -10.125 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -14.044 14.969 -10.338 1.00 0.00 N ATOM 0 H GLN A 70 -16.385 13.897 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.282 13.895 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.542 15.086 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.841 16.374 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.553 17.161 -8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.987 16.456 -8.364 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.149 15.302 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.072 14.366 -11.160 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.686 15.885 -4.802 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.634 16.615 -4.104 1.00 0.00 C ATOM 1071 C LEU A 71 -11.383 15.756 -3.953 1.00 0.00 C ATOM 1072 O LEU A 71 -10.322 16.089 -4.479 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.126 17.065 -2.727 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.103 17.791 -1.853 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.727 19.129 -2.470 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.647 17.985 -0.445 1.00 0.00 C ATOM 0 H LEU A 71 -14.579 15.858 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.380 17.493 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.985 17.721 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.480 16.188 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.204 17.177 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.998 19.631 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.295 18.966 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.618 19.751 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.906 18.503 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.561 18.578 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.865 17.013 -0.002 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.516 14.647 -3.233 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.398 13.737 -3.017 1.00 0.00 C ATOM 1090 C ALA A 72 -9.749 13.342 -4.338 1.00 0.00 C ATOM 1091 O ALA A 72 -8.530 13.423 -4.491 1.00 0.00 O ATOM 1092 CB ALA A 72 -10.862 12.500 -2.263 1.00 0.00 C ATOM 0 H ALA A 72 -12.387 14.357 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.651 14.255 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.017 11.829 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.272 12.795 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.630 11.988 -2.842 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.570 12.913 -5.291 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.075 12.503 -6.600 1.00 0.00 C ATOM 1100 C PHE A 73 -9.188 13.585 -7.209 1.00 0.00 C ATOM 1101 O PHE A 73 -8.007 13.358 -7.474 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.244 12.199 -7.538 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.145 11.105 -7.039 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.777 10.329 -5.952 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.359 10.853 -7.657 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.603 9.322 -5.489 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.190 9.848 -7.199 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.811 9.081 -6.114 1.00 0.00 C ATOM 0 H PHE A 73 -11.581 12.840 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.479 11.600 -6.469 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.831 13.106 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.852 11.918 -8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.833 10.513 -5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.659 11.449 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.304 8.725 -4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.135 9.662 -7.689 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.458 8.294 -5.755 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.765 14.761 -7.428 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.028 15.879 -8.006 1.00 0.00 C ATOM 1120 C ASP A 74 -7.740 16.139 -7.230 1.00 0.00 C ATOM 1121 O ASP A 74 -6.649 16.142 -7.800 1.00 0.00 O ATOM 1122 CB ASP A 74 -9.895 17.138 -8.016 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.539 18.077 -9.152 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.429 17.603 -10.302 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.370 19.287 -8.891 1.00 0.00 O ATOM 0 H ASP A 74 -10.741 14.965 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.767 15.619 -9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.944 16.853 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.781 17.661 -7.067 1.00 0.00 H new ATOM 1130 N VAL A 75 -7.875 16.359 -5.926 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.723 16.621 -5.071 1.00 0.00 C ATOM 1132 C VAL A 75 -5.621 15.593 -5.305 1.00 0.00 C ATOM 1133 O VAL A 75 -4.446 15.942 -5.411 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.115 16.608 -3.582 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.874 16.622 -2.703 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.021 17.787 -3.259 1.00 0.00 C ATOM 0 H VAL A 75 -8.771 16.361 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.353 17.612 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.666 15.690 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.171 16.613 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.267 15.742 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.293 17.521 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.288 17.762 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.499 18.718 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.926 17.727 -3.864 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.010 14.325 -5.384 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.055 13.246 -5.608 1.00 0.00 C ATOM 1148 C ALA A 76 -4.477 13.309 -7.018 1.00 0.00 C ATOM 1149 O ALA A 76 -3.360 12.851 -7.260 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.716 11.898 -5.366 1.00 0.00 C ATOM 0 H ALA A 76 -6.979 14.019 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.234 13.368 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.992 11.102 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.075 11.848 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.556 11.777 -6.050 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.244 13.877 -7.943 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.807 13.997 -9.329 1.00 0.00 C ATOM 1158 C GLU A 77 -4.002 15.277 -9.537 1.00 0.00 C ATOM 1159 O GLU A 77 -3.318 15.435 -10.548 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.013 13.980 -10.270 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.656 13.649 -11.710 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.692 14.151 -12.697 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -7.892 14.150 -12.352 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.301 14.546 -13.816 1.00 0.00 O ATOM 0 H GLU A 77 -6.171 14.261 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.166 13.145 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.737 13.250 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.501 14.954 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.688 14.088 -11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.552 12.569 -11.816 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.091 16.187 -8.573 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.373 17.454 -8.650 1.00 0.00 C ATOM 1173 C ARG A 78 -2.066 17.387 -7.865 1.00 0.00 C ATOM 1174 O ARG A 78 -1.073 18.007 -8.243 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.244 18.592 -8.115 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.516 18.815 -8.918 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.953 20.270 -8.876 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.980 21.153 -9.515 1.00 0.00 N ATOM 1179 CZ ARG A 78 -4.850 21.273 -10.831 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -5.627 20.571 -11.644 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -3.941 22.097 -11.337 1.00 0.00 N ATOM 0 H ARG A 78 -4.653 16.071 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.139 17.647 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.511 18.378 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.661 19.513 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.352 18.513 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.312 18.183 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.917 20.373 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.094 20.576 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.367 21.708 -8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.327 19.937 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.525 20.665 -12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.341 22.639 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.842 22.188 -12.348 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.077 16.632 -6.771 1.00 0.00 N ATOM 1196 CA GLU A 79 -0.893 16.486 -5.933 1.00 0.00 C ATOM 1197 C GLU A 79 -0.151 15.193 -6.259 1.00 0.00 C ATOM 1198 O GLU A 79 1.040 15.209 -6.570 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.282 16.505 -4.453 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.755 17.864 -3.965 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.634 18.881 -3.894 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.032 18.959 -2.841 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.421 19.599 -4.894 1.00 0.00 O ATOM 0 H GLU A 79 -2.892 16.113 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.230 17.326 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.072 15.773 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.425 16.192 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.534 18.234 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.205 17.755 -2.978 1.00 0.00 H new ATOM 1210 N PHE A 80 -0.864 14.074 -6.185 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.274 12.771 -6.470 1.00 0.00 C ATOM 1212 C PHE A 80 -0.324 12.468 -7.964 1.00 0.00 C ATOM 1213 O PHE A 80 0.470 11.678 -8.475 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.005 11.676 -5.691 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.360 12.074 -4.287 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.468 12.796 -3.511 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.586 11.726 -3.743 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.792 13.163 -2.218 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.916 12.090 -2.451 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.018 12.811 -1.688 1.00 0.00 C ATOM 0 H PHE A 80 -1.851 14.043 -5.930 1.00 0.00 H new ATOM 0 HA PHE A 80 0.770 12.795 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.916 11.408 -6.225 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.379 10.784 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.491 13.075 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.292 11.164 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.087 13.724 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.874 11.811 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.274 13.099 -0.679 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.263 13.101 -8.660 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.399 12.885 -10.089 1.00 0.00 C ATOM 1232 C GLY A 81 -2.092 11.577 -10.414 1.00 0.00 C ATOM 1233 O GLY A 81 -2.018 11.092 -11.544 1.00 0.00 O ATOM 0 H GLY A 81 -1.932 13.759 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.962 13.709 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.411 12.894 -10.550 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.765 11.003 -9.423 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.472 9.742 -9.609 1.00 0.00 C ATOM 1239 C ILE A 82 -4.890 9.977 -10.119 1.00 0.00 C ATOM 1240 O ILE A 82 -5.748 10.513 -9.417 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.537 8.934 -8.300 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.126 8.666 -7.770 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.282 7.626 -8.521 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.107 7.953 -6.436 1.00 0.00 C ATOM 0 H ILE A 82 -2.836 11.391 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.911 9.173 -10.350 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.080 9.518 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.580 8.069 -8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.597 9.614 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.319 7.066 -7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.297 7.838 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.764 7.036 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.075 7.796 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.625 8.559 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.608 6.989 -6.531 1.00 0.00 H new ATOM 1256 N PRO A 83 -5.145 9.566 -11.370 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.459 9.720 -12.001 1.00 0.00 C ATOM 1258 C PRO A 83 -7.510 8.804 -11.382 1.00 0.00 C ATOM 1259 O PRO A 83 -7.268 7.624 -11.130 1.00 0.00 O ATOM 1260 CB PRO A 83 -6.200 9.328 -13.458 1.00 0.00 C ATOM 1261 CG PRO A 83 -5.017 8.424 -13.403 1.00 0.00 C ATOM 1262 CD PRO A 83 -4.170 8.920 -12.264 1.00 0.00 C ATOM 0 HA PRO A 83 -6.854 10.729 -11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.064 8.824 -13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.000 10.205 -14.074 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.323 7.390 -13.241 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.463 8.449 -14.341 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.648 8.103 -11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.410 9.623 -12.605 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.704 9.360 -11.130 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.816 8.610 -10.538 1.00 0.00 C ATOM 1272 C PRO A 84 -10.391 7.572 -11.496 1.00 0.00 C ATOM 1273 O PRO A 84 -10.622 7.857 -12.671 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.855 9.694 -10.239 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.552 10.786 -11.206 1.00 0.00 C ATOM 1276 CD PRO A 84 -9.062 10.761 -11.405 1.00 0.00 C ATOM 0 HA PRO A 84 -9.504 8.044 -9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.869 9.318 -10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.777 10.044 -9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.074 10.628 -12.149 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.878 11.751 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.787 11.054 -12.418 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.554 11.446 -10.726 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.620 6.366 -10.986 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.170 5.285 -11.796 1.00 0.00 C ATOM 1286 C VAL A 85 -12.658 5.491 -12.051 1.00 0.00 C ATOM 1287 O VAL A 85 -13.179 5.114 -13.101 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.960 3.916 -11.122 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.480 3.569 -11.066 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.570 3.910 -9.728 1.00 0.00 C ATOM 0 H VAL A 85 -10.433 6.113 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.637 5.299 -12.747 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.464 3.156 -11.719 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.352 2.599 -10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.077 3.530 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.949 4.330 -10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.413 2.935 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.096 4.680 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.639 4.110 -9.798 1.00 0.00 H new ATOM 1300 N THR A 86 -13.341 6.093 -11.082 1.00 0.00 N ATOM 1301 CA THR A 86 -14.771 6.350 -11.200 1.00 0.00 C ATOM 1302 C THR A 86 -15.091 7.816 -10.933 1.00 0.00 C ATOM 1303 O THR A 86 -14.289 8.540 -10.341 1.00 0.00 O ATOM 1304 CB THR A 86 -15.581 5.474 -10.226 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.972 5.804 -10.311 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.097 5.663 -8.797 1.00 0.00 C ATOM 0 H THR A 86 -12.926 6.412 -10.206 1.00 0.00 H new ATOM 0 HA THR A 86 -15.053 6.100 -12.223 1.00 0.00 H new ATOM 0 HB THR A 86 -15.437 4.430 -10.506 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.480 5.241 -9.690 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.684 5.034 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.046 5.383 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.214 6.708 -8.509 1.00 0.00 H new ATOM 1314 N THR A 87 -16.268 8.250 -11.371 1.00 0.00 N ATOM 1315 CA THR A 87 -16.694 9.631 -11.179 1.00 0.00 C ATOM 1316 C THR A 87 -17.501 9.784 -9.895 1.00 0.00 C ATOM 1317 O THR A 87 -18.365 8.962 -9.592 1.00 0.00 O ATOM 1318 CB THR A 87 -17.540 10.128 -12.367 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.729 9.339 -12.485 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.747 10.058 -13.663 1.00 0.00 C ATOM 0 H THR A 87 -16.944 7.665 -11.862 1.00 0.00 H new ATOM 0 HA THR A 87 -15.789 10.234 -11.110 1.00 0.00 H new ATOM 0 HB THR A 87 -17.811 11.167 -12.182 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.262 9.662 -13.241 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.365 10.414 -14.487 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.858 10.683 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.449 9.027 -13.852 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.215 10.843 -9.144 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.924 11.084 -7.901 1.00 0.00 C ATOM 1330 C GLY A 88 -19.386 10.692 -7.982 1.00 0.00 C ATOM 1331 O GLY A 88 -19.893 9.975 -7.119 1.00 0.00 O ATOM 0 H GLY A 88 -16.505 11.538 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.445 10.523 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.848 12.140 -7.642 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.067 11.164 -9.021 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.480 10.860 -9.212 1.00 0.00 C ATOM 1337 C LYS A 89 -21.713 9.353 -9.237 1.00 0.00 C ATOM 1338 O LYS A 89 -22.551 8.833 -8.501 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.986 11.487 -10.513 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.092 13.001 -10.457 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.939 13.543 -11.597 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.408 13.627 -11.209 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.725 14.904 -10.513 1.00 0.00 N ATOM 0 H LYS A 89 -19.663 11.759 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.034 11.282 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.316 11.208 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.965 11.071 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.528 13.301 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.095 13.439 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.579 14.532 -11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.829 12.901 -12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -25.025 13.537 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.661 12.788 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.735 14.923 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.154 14.978 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.507 15.705 -11.140 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.965 8.657 -10.088 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.091 7.209 -10.207 1.00 0.00 C ATOM 1359 C GLU A 90 -20.774 6.524 -8.881 1.00 0.00 C ATOM 1360 O GLU A 90 -21.446 5.571 -8.487 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.161 6.682 -11.302 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.530 5.294 -11.798 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.645 5.319 -12.825 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -21.529 6.079 -13.809 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -22.634 4.578 -12.644 1.00 0.00 O ATOM 0 H GLU A 90 -20.266 9.072 -10.704 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.122 6.981 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.175 7.375 -12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.140 6.663 -10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.650 4.822 -12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.835 4.679 -10.951 1.00 0.00 H new ATOM 1372 N MET A 91 -19.746 7.017 -8.198 1.00 0.00 N ATOM 1373 CA MET A 91 -19.340 6.453 -6.916 1.00 0.00 C ATOM 1374 C MET A 91 -20.516 6.406 -5.946 1.00 0.00 C ATOM 1375 O MET A 91 -20.741 5.398 -5.277 1.00 0.00 O ATOM 1376 CB MET A 91 -18.199 7.274 -6.313 1.00 0.00 C ATOM 1377 CG MET A 91 -17.435 6.542 -5.221 1.00 0.00 C ATOM 1378 SD MET A 91 -16.610 5.058 -5.827 1.00 0.00 S ATOM 1379 CE MET A 91 -17.485 3.788 -4.916 1.00 0.00 C ATOM 0 H MET A 91 -19.179 7.805 -8.511 1.00 0.00 H new ATOM 0 HA MET A 91 -18.994 5.434 -7.088 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.505 7.554 -7.106 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.605 8.199 -5.904 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.694 7.214 -4.788 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.124 6.269 -4.421 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.229 2.809 -5.320 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.200 3.833 -3.865 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.559 3.949 -5.008 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.263 7.503 -5.875 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.417 7.585 -4.988 1.00 0.00 C ATOM 1391 C ALA A 92 -23.622 6.868 -5.587 1.00 0.00 C ATOM 1392 O ALA A 92 -24.386 6.216 -4.875 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.757 9.039 -4.697 1.00 0.00 C ATOM 0 H ALA A 92 -21.090 8.347 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.160 7.089 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.621 9.085 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.906 9.523 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.989 9.552 -5.630 1.00 0.00 H new ATOM 1399 N SER A 93 -23.787 6.993 -6.900 1.00 0.00 N ATOM 1400 CA SER A 93 -24.902 6.360 -7.594 1.00 0.00 C ATOM 1401 C SER A 93 -24.858 4.844 -7.425 1.00 0.00 C ATOM 1402 O SER A 93 -25.798 4.238 -6.912 1.00 0.00 O ATOM 1403 CB SER A 93 -24.876 6.720 -9.081 1.00 0.00 C ATOM 1404 OG SER A 93 -25.569 7.932 -9.325 1.00 0.00 O ATOM 0 H SER A 93 -23.163 7.527 -7.504 1.00 0.00 H new ATOM 0 HA SER A 93 -25.828 6.730 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.844 6.814 -9.418 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.329 5.916 -9.661 1.00 0.00 H new ATOM 0 HG SER A 93 -25.536 8.141 -10.282 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.758 4.239 -7.861 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.589 2.795 -7.757 1.00 0.00 C ATOM 1412 C ALA A 94 -23.755 2.325 -6.316 1.00 0.00 C ATOM 1413 O ALA A 94 -23.097 2.834 -5.409 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.226 2.383 -8.295 1.00 0.00 C ATOM 0 H ALA A 94 -22.971 4.726 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.364 2.319 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.113 1.302 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.144 2.676 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.443 2.875 -7.718 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.638 1.353 -6.113 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.891 0.817 -4.781 1.00 0.00 C ATOM 1422 C GLN A 95 -23.738 -0.071 -4.324 1.00 0.00 C ATOM 1423 O GLN A 95 -23.185 0.123 -3.243 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.198 0.023 -4.767 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.434 -0.739 -3.473 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.812 -1.367 -3.408 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.704 -1.015 -4.181 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -27.994 -2.303 -2.484 1.00 0.00 N ATOM 0 H GLN A 95 -25.190 0.921 -6.854 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.976 1.655 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -27.030 0.707 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.194 -0.682 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -25.679 -1.518 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -26.308 -0.061 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.227 -2.564 -1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.901 -2.761 -2.394 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.383 -1.046 -5.156 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.296 -1.964 -4.835 1.00 0.00 C ATOM 1439 C GLU A 96 -21.290 -2.037 -5.980 1.00 0.00 C ATOM 1440 O GLU A 96 -21.468 -2.775 -6.950 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.849 -3.359 -4.537 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.873 -4.254 -3.793 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.467 -5.607 -3.449 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -23.613 -5.644 -2.955 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -21.785 -6.628 -3.676 1.00 0.00 O ATOM 0 H GLU A 96 -23.831 -1.220 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.785 -1.587 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.761 -3.261 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.126 -3.839 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.981 -4.398 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.556 -3.757 -2.876 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.208 -1.254 -5.868 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.152 -1.211 -6.884 1.00 0.00 C ATOM 1454 C PRO A 97 -18.336 -2.499 -6.926 1.00 0.00 C ATOM 1455 O PRO A 97 -18.611 -3.443 -6.185 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.276 -0.038 -6.437 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.504 0.066 -4.968 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.931 -0.349 -4.739 1.00 0.00 C ATOM 0 HA PRO A 97 -19.558 -1.098 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.225 -0.220 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.557 0.883 -6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.817 -0.579 -4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.333 1.084 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.054 -0.853 -3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.604 0.509 -4.737 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.333 -2.530 -7.796 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.476 -3.702 -7.933 1.00 0.00 C ATOM 1468 C ASP A 98 -15.324 -3.653 -6.934 1.00 0.00 C ATOM 1469 O ASP A 98 -14.390 -2.865 -7.085 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.928 -3.795 -9.358 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.834 -4.591 -10.276 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -18.070 -4.464 -10.147 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.307 -5.340 -11.125 1.00 0.00 O ATOM 0 H ASP A 98 -17.093 -1.757 -8.417 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.077 -4.587 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.799 -2.790 -9.761 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.941 -4.258 -9.335 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.398 -4.499 -5.912 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.362 -4.553 -4.887 1.00 0.00 C ATOM 1480 C LYS A 99 -12.972 -4.526 -5.516 1.00 0.00 C ATOM 1481 O LYS A 99 -12.023 -4.010 -4.925 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.524 -5.815 -4.037 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.398 -6.024 -3.039 1.00 0.00 C ATOM 1484 CD LYS A 99 -13.538 -7.350 -2.310 1.00 0.00 C ATOM 1485 CE LYS A 99 -13.128 -8.518 -3.194 1.00 0.00 C ATOM 1486 NZ LYS A 99 -13.350 -9.828 -2.521 1.00 0.00 N ATOM 0 H LYS A 99 -16.165 -5.157 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.470 -3.676 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.470 -5.762 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.580 -6.682 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.440 -5.992 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.396 -5.209 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.922 -7.339 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.571 -7.482 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.696 -8.487 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.075 -8.420 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.058 -10.598 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.788 -9.869 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.359 -9.933 -2.290 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.860 -5.082 -6.717 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.586 -5.120 -7.427 1.00 0.00 C ATOM 1502 C LEU A 100 -11.141 -3.716 -7.821 1.00 0.00 C ATOM 1503 O LEU A 100 -10.144 -3.204 -7.311 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.700 -6.000 -8.673 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.372 -7.481 -8.482 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.925 -7.655 -8.048 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.314 -8.109 -7.465 1.00 0.00 C ATOM 0 H LEU A 100 -13.636 -5.513 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.837 -5.544 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.717 -5.920 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.037 -5.598 -9.439 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.508 -7.990 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.709 -8.715 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.264 -7.242 -8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.763 -7.132 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.066 -9.163 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.210 -7.597 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.342 -8.017 -7.816 1.00 0.00 H new ATOM 1519 N SER A 101 -11.887 -3.096 -8.729 1.00 0.00 N ATOM 1520 CA SER A 101 -11.568 -1.751 -9.193 1.00 0.00 C ATOM 1521 C SER A 101 -11.255 -0.831 -8.017 1.00 0.00 C ATOM 1522 O SER A 101 -10.487 0.121 -8.147 1.00 0.00 O ATOM 1523 CB SER A 101 -12.732 -1.180 -10.006 1.00 0.00 C ATOM 1524 OG SER A 101 -12.910 -1.898 -11.215 1.00 0.00 O ATOM 0 H SER A 101 -12.717 -3.504 -9.158 1.00 0.00 H new ATOM 0 HA SER A 101 -10.685 -1.812 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.647 -1.223 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.544 -0.129 -10.228 1.00 0.00 H new ATOM 0 HG SER A 101 -13.661 -1.515 -11.715 1.00 0.00 H new ATOM 1530 N MET A 102 -11.856 -1.124 -6.868 1.00 0.00 N ATOM 1531 CA MET A 102 -11.640 -0.325 -5.668 1.00 0.00 C ATOM 1532 C MET A 102 -10.264 -0.601 -5.071 1.00 0.00 C ATOM 1533 O MET A 102 -9.475 0.319 -4.853 1.00 0.00 O ATOM 1534 CB MET A 102 -12.727 -0.619 -4.631 1.00 0.00 C ATOM 1535 CG MET A 102 -14.010 0.164 -4.858 1.00 0.00 C ATOM 1536 SD MET A 102 -13.754 1.948 -4.804 1.00 0.00 S ATOM 1537 CE MET A 102 -12.817 2.110 -3.287 1.00 0.00 C ATOM 0 H MET A 102 -12.496 -1.908 -6.743 1.00 0.00 H new ATOM 0 HA MET A 102 -11.690 0.727 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.954 -1.685 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.342 -0.390 -3.638 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.432 -0.109 -5.825 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.742 -0.117 -4.100 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.810 3.154 -2.974 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.277 1.501 -2.509 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.794 1.774 -3.454 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.982 -1.873 -4.807 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.701 -2.269 -4.235 1.00 0.00 C ATOM 1549 C VAL A 103 -7.540 -1.727 -5.061 1.00 0.00 C ATOM 1550 O VAL A 103 -6.636 -1.082 -4.531 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.578 -3.802 -4.142 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.158 -4.202 -3.774 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.575 -4.355 -3.134 1.00 0.00 C ATOM 0 H VAL A 103 -10.624 -2.647 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.658 -1.846 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.808 -4.228 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.090 -5.288 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.468 -3.838 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.896 -3.767 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.475 -5.439 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.378 -3.923 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.588 -4.099 -3.446 1.00 0.00 H new ATOM 1563 N MET A 104 -7.572 -1.993 -6.363 1.00 0.00 N ATOM 1564 CA MET A 104 -6.522 -1.530 -7.263 1.00 0.00 C ATOM 1565 C MET A 104 -6.279 -0.034 -7.091 1.00 0.00 C ATOM 1566 O MET A 104 -5.143 0.433 -7.172 1.00 0.00 O ATOM 1567 CB MET A 104 -6.895 -1.834 -8.715 1.00 0.00 C ATOM 1568 CG MET A 104 -8.171 -1.146 -9.172 1.00 0.00 C ATOM 1569 SD MET A 104 -8.370 -1.169 -10.963 1.00 0.00 S ATOM 1570 CE MET A 104 -8.878 -2.866 -11.227 1.00 0.00 C ATOM 0 H MET A 104 -8.313 -2.526 -6.818 1.00 0.00 H new ATOM 0 HA MET A 104 -5.603 -2.060 -7.013 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.075 -1.528 -9.364 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.010 -2.911 -8.834 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.028 -1.635 -8.709 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.167 -0.113 -8.824 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.169 -3.359 -11.892 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.905 -3.390 -10.272 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.870 -2.883 -11.678 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.352 0.712 -6.853 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.255 2.155 -6.672 1.00 0.00 C ATOM 1582 C TYR A 105 -6.694 2.495 -5.294 1.00 0.00 C ATOM 1583 O TYR A 105 -5.660 3.154 -5.177 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.628 2.806 -6.851 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.581 4.317 -6.889 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.023 4.987 -7.972 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -9.093 5.074 -5.844 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.978 6.367 -8.011 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -9.054 6.455 -5.875 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.495 7.096 -6.961 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.452 8.471 -6.995 1.00 0.00 O ATOM 0 H TYR A 105 -8.299 0.341 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.574 2.545 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.076 2.441 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.279 2.491 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.618 4.419 -8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.530 4.575 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.540 6.872 -8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.459 7.029 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.859 8.831 -6.179 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.384 2.041 -4.254 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.956 2.295 -2.883 1.00 0.00 C ATOM 1603 C LEU A 106 -5.484 1.940 -2.697 1.00 0.00 C ATOM 1604 O LEU A 106 -4.735 2.674 -2.053 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.814 1.493 -1.903 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.305 1.829 -1.885 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -10.083 0.768 -1.121 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.535 3.204 -1.276 1.00 0.00 C ATOM 0 H LEU A 106 -8.242 1.495 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.082 3.359 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.704 0.434 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.417 1.641 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.666 1.844 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.142 1.025 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.945 -0.201 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.720 0.719 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.602 3.426 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.157 3.217 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.010 3.956 -1.866 1.00 0.00 H new ATOM 1620 N SER A 107 -5.077 0.810 -3.266 1.00 0.00 N ATOM 1621 CA SER A 107 -3.695 0.356 -3.162 1.00 0.00 C ATOM 1622 C SER A 107 -2.726 1.514 -3.374 1.00 0.00 C ATOM 1623 O SER A 107 -1.799 1.716 -2.589 1.00 0.00 O ATOM 1624 CB SER A 107 -3.420 -0.748 -4.184 1.00 0.00 C ATOM 1625 OG SER A 107 -4.157 -1.920 -3.880 1.00 0.00 O ATOM 0 H SER A 107 -5.685 0.192 -3.804 1.00 0.00 H new ATOM 0 HA SER A 107 -3.544 -0.042 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.683 -0.398 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.355 -0.978 -4.198 1.00 0.00 H new ATOM 0 HG SER A 107 -5.107 -1.767 -4.069 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.946 2.274 -4.442 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.094 3.414 -4.760 1.00 0.00 C ATOM 1633 C LYS A 108 -1.886 4.296 -3.533 1.00 0.00 C ATOM 1634 O LYS A 108 -0.780 4.776 -3.281 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.710 4.236 -5.894 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.814 3.480 -7.207 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.976 4.427 -8.384 1.00 0.00 C ATOM 1638 CE LYS A 108 -2.697 3.726 -9.705 1.00 0.00 C ATOM 1639 NZ LYS A 108 -2.909 4.631 -10.869 1.00 0.00 N ATOM 0 H LYS A 108 -3.708 2.121 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.124 3.033 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.705 4.565 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.111 5.133 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.921 2.871 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.663 2.797 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.989 4.830 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.297 5.272 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.670 3.360 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.347 2.856 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.709 4.116 -11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.895 4.961 -10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.271 5.449 -10.793 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.955 4.505 -2.771 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.889 5.329 -1.570 1.00 0.00 C ATOM 1655 C PHE A 109 -2.153 4.599 -0.450 1.00 0.00 C ATOM 1656 O PHE A 109 -1.554 5.225 0.425 1.00 0.00 O ATOM 1657 CB PHE A 109 -4.297 5.709 -1.108 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.964 6.724 -1.992 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.480 8.020 -2.069 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -6.076 6.382 -2.745 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -5.091 8.956 -2.881 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.691 7.314 -3.560 1.00 0.00 C ATOM 1663 CZ PHE A 109 -6.199 8.603 -3.627 1.00 0.00 C ATOM 0 H PHE A 109 -3.877 4.115 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 109 -2.337 6.237 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.913 4.811 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.244 6.102 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.615 8.302 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.466 5.376 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.703 9.963 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.555 7.035 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.679 9.333 -4.261 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.204 3.272 -0.483 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.547 2.456 0.530 1.00 0.00 C ATOM 1675 C TYR A 110 -0.030 2.499 0.364 1.00 0.00 C ATOM 1676 O TYR A 110 0.702 2.752 1.320 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.039 1.010 0.449 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.115 0.018 1.119 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -0.030 -0.519 0.439 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -1.328 -0.381 2.433 1.00 0.00 C ATOM 1681 CE1 TYR A 110 0.816 -1.427 1.046 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -0.487 -1.287 3.049 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.584 -1.808 2.352 1.00 0.00 C ATOM 1684 OH TYR A 110 1.425 -2.710 2.961 1.00 0.00 O ATOM 0 H TYR A 110 -2.694 2.739 -1.201 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.800 2.864 1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.025 0.944 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.157 0.733 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.156 -0.222 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.165 0.024 2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.654 -1.836 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.667 -1.586 4.071 1.00 0.00 H new ATOM 0 HH TYR A 110 2.248 -2.797 2.435 1.00 0.00 H new ATOM 1694 N GLU A 111 0.432 2.251 -0.857 1.00 0.00 N ATOM 1695 CA GLU A 111 1.861 2.261 -1.149 1.00 0.00 C ATOM 1696 C GLU A 111 2.413 3.683 -1.115 1.00 0.00 C ATOM 1697 O GLU A 111 3.505 3.925 -0.600 1.00 0.00 O ATOM 1698 CB GLU A 111 2.129 1.631 -2.517 1.00 0.00 C ATOM 1699 CG GLU A 111 1.214 2.147 -3.615 1.00 0.00 C ATOM 1700 CD GLU A 111 1.709 1.790 -5.003 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.763 2.321 -5.411 1.00 0.00 O ATOM 1702 OE2 GLU A 111 1.043 0.980 -5.681 1.00 0.00 O ATOM 0 H GLU A 111 -0.161 2.041 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 111 2.367 1.675 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.164 1.822 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.014 0.550 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.215 1.736 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.128 3.230 -3.532 1.00 0.00 H new ATOM 1709 N LEU A 112 1.651 4.621 -1.668 1.00 0.00 N ATOM 1710 CA LEU A 112 2.063 6.020 -1.702 1.00 0.00 C ATOM 1711 C LEU A 112 2.331 6.543 -0.295 1.00 0.00 C ATOM 1712 O LEU A 112 3.252 7.331 -0.079 1.00 0.00 O ATOM 1713 CB LEU A 112 0.988 6.872 -2.379 1.00 0.00 C ATOM 1714 CG LEU A 112 1.380 8.315 -2.701 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.462 8.348 -3.769 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.162 9.110 -3.149 1.00 0.00 C ATOM 0 H LEU A 112 0.745 4.438 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 112 2.987 6.087 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.694 6.381 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.108 6.890 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 112 1.777 8.775 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.728 9.383 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.342 7.814 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.092 7.871 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.459 10.134 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.264 8.651 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.582 9.115 -2.353 1.00 0.00 H new ATOM 1728 N PHE A 113 1.521 6.099 0.661 1.00 0.00 N ATOM 1729 CA PHE A 113 1.672 6.521 2.048 1.00 0.00 C ATOM 1730 C PHE A 113 2.671 5.632 2.782 1.00 0.00 C ATOM 1731 O PHE A 113 3.579 6.124 3.453 1.00 0.00 O ATOM 1732 CB PHE A 113 0.319 6.485 2.764 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.566 7.652 2.430 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.869 7.954 1.112 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.096 8.446 3.434 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.684 9.026 0.802 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -1.912 9.519 3.130 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.205 9.810 1.812 1.00 0.00 C ATOM 0 H PHE A 113 0.753 5.447 0.500 1.00 0.00 H new ATOM 0 HA PHE A 113 2.051 7.543 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.197 5.561 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.487 6.463 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.464 7.345 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.869 8.224 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.913 9.250 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.320 10.129 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.841 10.649 1.572 1.00 0.00 H new ATOM 1748 N ARG A 114 2.497 4.321 2.650 1.00 0.00 N ATOM 1749 CA ARG A 114 3.382 3.363 3.301 1.00 0.00 C ATOM 1750 C ARG A 114 4.780 3.413 2.692 1.00 0.00 C ATOM 1751 O ARG A 114 5.017 2.876 1.611 1.00 0.00 O ATOM 1752 CB ARG A 114 2.813 1.948 3.183 1.00 0.00 C ATOM 1753 CG ARG A 114 3.234 1.026 4.315 1.00 0.00 C ATOM 1754 CD ARG A 114 2.819 -0.412 4.045 1.00 0.00 C ATOM 1755 NE ARG A 114 3.642 -1.367 4.783 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.431 -1.691 6.054 1.00 0.00 C ATOM 1757 NH1 ARG A 114 2.429 -1.139 6.724 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.223 -2.568 6.656 1.00 0.00 N ATOM 0 H ARG A 114 1.751 3.898 2.098 1.00 0.00 H new ATOM 0 HA ARG A 114 3.454 3.631 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.725 2.004 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.132 1.515 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.315 1.076 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.786 1.366 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.773 -0.545 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.895 -0.617 2.977 1.00 0.00 H new ATOM 0 HE ARG A 114 4.421 -1.809 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.818 -0.464 6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.269 -1.389 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.995 -2.994 6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.060 -2.816 7.632 1.00 0.00 H new