USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 722 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 15 GLN : amide:sc= -0.994 K(o=-0.99,f=-3!) USER MOD Set 2.2: A 20 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 MET CE :methyl -163:sc= -3.21! (180deg=-3.53!) USER MOD Single : A 17 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.2!) USER MOD Single : A 18 SER OG : rot 88:sc= 1.13 USER MOD Single : A 19 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.2!) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.294 (180deg=-1.72!) USER MOD Single : A 28 ASN : amide:sc= 0.00531 X(o=0.0053,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= 0.458 (180deg=-1.02) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0101 (180deg=-0.116) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -6.82! C(o=-6.8!,f=-9.6!) USER MOD Single : A 57 ASN : amide:sc= -14.2! C(o=-14!,f=-12!) USER MOD Single : A 61 HIS : no HD1:sc= -2.03 K(o=-2,f=-0.81) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -4.57 K(o=-4.6,f=-2.5) USER MOD Single : A 66 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00359 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 74:sc= 0.847 USER MOD Single : A 85 MET CE :methyl 149:sc= -7.51! (180deg=-8.54!) USER MOD Single : A 86 ASN : amide:sc= -2.83! K(o=-2.8!,f=-1.4) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 87:sc= -0.186 USER MOD Single : A 111 MET CE :methyl 172:sc= -0.281 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 98.236 -0.822 -13.297 1.00 0.00 N ATOM 90 CA ARG A 7 96.964 -1.359 -12.740 1.00 0.00 C ATOM 91 C ARG A 7 96.937 -1.146 -11.225 1.00 0.00 C ATOM 92 O ARG A 7 97.962 -0.995 -10.587 1.00 0.00 O ATOM 93 CB ARG A 7 96.865 -2.856 -13.042 1.00 0.00 C ATOM 94 CG ARG A 7 95.713 -3.107 -14.018 1.00 0.00 C ATOM 95 CD ARG A 7 96.277 -3.482 -15.389 1.00 0.00 C ATOM 96 NE ARG A 7 95.412 -4.524 -16.012 1.00 0.00 N ATOM 97 CZ ARG A 7 95.858 -5.235 -17.015 1.00 0.00 C ATOM 98 NH1 ARG A 7 97.061 -5.035 -17.479 1.00 0.00 N ATOM 99 NH2 ARG A 7 95.098 -6.146 -17.555 1.00 0.00 N ATOM 0 HA ARG A 7 96.123 -0.838 -13.196 1.00 0.00 H new ATOM 0 HB2 ARG A 7 97.802 -3.214 -13.469 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.702 -3.413 -12.120 1.00 0.00 H new ATOM 0 HG2 ARG A 7 95.074 -3.907 -13.645 1.00 0.00 H new ATOM 0 HG3 ARG A 7 95.092 -2.215 -14.100 1.00 0.00 H new ATOM 0 HD2 ARG A 7 96.322 -2.601 -16.029 1.00 0.00 H new ATOM 0 HD3 ARG A 7 97.296 -3.854 -15.286 1.00 0.00 H new ATOM 0 HE ARG A 7 94.470 -4.683 -15.655 1.00 0.00 H new ATOM 0 HH11 ARG A 7 97.657 -4.322 -17.059 1.00 0.00 H new ATOM 0 HH12 ARG A 7 97.405 -5.592 -18.261 1.00 0.00 H new ATOM 0 HH21 ARG A 7 94.157 -6.304 -17.195 1.00 0.00 H new ATOM 0 HH22 ARG A 7 95.445 -6.701 -18.337 1.00 0.00 H new ATOM 113 N MET A 8 95.769 -1.138 -10.643 1.00 0.00 N ATOM 114 CA MET A 8 95.674 -0.936 -9.170 1.00 0.00 C ATOM 115 C MET A 8 96.314 -2.127 -8.442 1.00 0.00 C ATOM 116 O MET A 8 97.051 -1.965 -7.488 1.00 0.00 O ATOM 117 CB MET A 8 94.204 -0.826 -8.764 1.00 0.00 C ATOM 118 CG MET A 8 94.113 -0.444 -7.286 1.00 0.00 C ATOM 119 SD MET A 8 92.848 -1.450 -6.475 1.00 0.00 S ATOM 120 CE MET A 8 93.372 -1.139 -4.772 1.00 0.00 C ATOM 0 H MET A 8 94.878 -1.262 -11.123 1.00 0.00 H new ATOM 0 HA MET A 8 96.199 -0.020 -8.898 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.701 -0.077 -9.376 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.695 -1.774 -8.938 1.00 0.00 H new ATOM 0 HG2 MET A 8 95.078 -0.595 -6.801 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.869 0.614 -7.188 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.931 -1.887 -4.113 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.459 -1.196 -4.710 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.042 -0.146 -4.465 1.00 0.00 H new ATOM 130 N ARG A 9 96.026 -3.323 -8.885 1.00 0.00 N ATOM 131 CA ARG A 9 96.595 -4.538 -8.227 1.00 0.00 C ATOM 132 C ARG A 9 98.102 -4.369 -7.988 1.00 0.00 C ATOM 133 O ARG A 9 98.558 -4.450 -6.863 1.00 0.00 O ATOM 134 CB ARG A 9 96.358 -5.757 -9.121 1.00 0.00 C ATOM 135 CG ARG A 9 95.271 -6.641 -8.505 1.00 0.00 C ATOM 136 CD ARG A 9 95.924 -7.742 -7.667 1.00 0.00 C ATOM 137 NE ARG A 9 95.288 -9.053 -7.983 1.00 0.00 N ATOM 138 CZ ARG A 9 95.804 -10.161 -7.523 1.00 0.00 C ATOM 139 NH1 ARG A 9 96.880 -10.129 -6.784 1.00 0.00 N ATOM 140 NH2 ARG A 9 95.242 -11.304 -7.807 1.00 0.00 N ATOM 0 H ARG A 9 95.416 -3.512 -9.681 1.00 0.00 H new ATOM 0 HA ARG A 9 96.101 -4.678 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.058 -5.436 -10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.282 -6.324 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.608 -6.040 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.658 -7.082 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 9 96.993 -7.785 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.814 -7.519 -6.606 1.00 0.00 H new ATOM 0 HE ARG A 9 94.448 -9.085 -8.560 1.00 0.00 H new ATOM 0 HH11 ARG A 9 97.321 -9.236 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 9 97.279 -10.997 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 9 94.403 -11.330 -8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 9 95.642 -12.172 -7.450 1.00 0.00 H new ATOM 154 N PRO A 10 98.832 -4.143 -9.050 1.00 0.00 N ATOM 155 CA PRO A 10 100.293 -3.967 -8.978 1.00 0.00 C ATOM 156 C PRO A 10 100.648 -2.639 -8.304 1.00 0.00 C ATOM 157 O PRO A 10 101.674 -2.517 -7.664 1.00 0.00 O ATOM 158 CB PRO A 10 100.741 -4.009 -10.438 1.00 0.00 C ATOM 159 CG PRO A 10 99.496 -3.669 -11.278 1.00 0.00 C ATOM 160 CD PRO A 10 98.276 -4.026 -10.411 1.00 0.00 C ATOM 0 HA PRO A 10 100.788 -4.732 -8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.542 -3.292 -10.621 1.00 0.00 H new ATOM 0 HB3 PRO A 10 101.129 -4.994 -10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.486 -2.613 -11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.490 -4.235 -12.209 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.508 -3.254 -10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.814 -4.958 -10.736 1.00 0.00 H new ATOM 168 N TRP A 11 99.804 -1.650 -8.420 1.00 0.00 N ATOM 169 CA TRP A 11 100.103 -0.350 -7.756 1.00 0.00 C ATOM 170 C TRP A 11 100.283 -0.597 -6.254 1.00 0.00 C ATOM 171 O TRP A 11 101.312 -0.287 -5.674 1.00 0.00 O ATOM 172 CB TRP A 11 98.936 0.612 -7.986 1.00 0.00 C ATOM 173 CG TRP A 11 99.366 2.012 -7.683 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.847 2.893 -8.591 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.356 2.710 -6.405 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.134 4.085 -7.948 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.848 4.021 -6.602 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.973 2.335 -5.105 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.956 4.929 -5.550 1.00 0.00 C ATOM 180 CZ3 TRP A 11 99.080 3.247 -4.043 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.571 4.540 -4.265 1.00 0.00 C ATOM 0 H TRP A 11 98.928 -1.685 -8.941 1.00 0.00 H new ATOM 0 HA TRP A 11 101.013 0.085 -8.169 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.594 0.542 -9.018 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.094 0.335 -7.352 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.984 2.698 -9.644 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.511 4.910 -8.414 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.595 1.340 -4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.334 5.925 -5.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.782 2.950 -3.048 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.652 5.236 -3.443 1.00 0.00 H new ATOM 192 N LEU A 12 99.294 -1.170 -5.620 1.00 0.00 N ATOM 193 CA LEU A 12 99.405 -1.452 -4.165 1.00 0.00 C ATOM 194 C LEU A 12 100.462 -2.531 -3.954 1.00 0.00 C ATOM 195 O LEU A 12 101.225 -2.482 -3.014 1.00 0.00 O ATOM 196 CB LEU A 12 98.057 -1.939 -3.628 1.00 0.00 C ATOM 197 CG LEU A 12 97.750 -1.224 -2.312 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.366 0.230 -2.598 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.587 -1.928 -1.609 1.00 0.00 C ATOM 0 H LEU A 12 98.414 -1.454 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 12 99.690 -0.544 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.270 -1.741 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.083 -3.017 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 12 98.632 -1.248 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 12 97.147 0.740 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.193 0.733 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.484 0.254 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 96.367 -1.419 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.706 -1.903 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.858 -2.964 -1.405 1.00 0.00 H new ATOM 211 N GLU A 13 100.526 -3.498 -4.828 1.00 0.00 N ATOM 212 CA GLU A 13 101.558 -4.559 -4.670 1.00 0.00 C ATOM 213 C GLU A 13 102.930 -3.888 -4.619 1.00 0.00 C ATOM 214 O GLU A 13 103.864 -4.393 -4.026 1.00 0.00 O ATOM 215 CB GLU A 13 101.496 -5.518 -5.862 1.00 0.00 C ATOM 216 CG GLU A 13 101.455 -6.960 -5.354 1.00 0.00 C ATOM 217 CD GLU A 13 101.698 -7.919 -6.520 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.811 -7.943 -7.021 1.00 0.00 O ATOM 219 OE2 GLU A 13 100.767 -8.616 -6.892 1.00 0.00 O ATOM 0 H GLU A 13 99.914 -3.598 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 13 101.382 -5.124 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.613 -5.308 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 13 102.364 -5.372 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 13 102.213 -7.107 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 13 100.489 -7.167 -4.894 1.00 0.00 H new ATOM 226 N GLU A 14 103.050 -2.740 -5.234 1.00 0.00 N ATOM 227 CA GLU A 14 104.350 -2.015 -5.224 1.00 0.00 C ATOM 228 C GLU A 14 104.483 -1.244 -3.911 1.00 0.00 C ATOM 229 O GLU A 14 105.498 -1.303 -3.248 1.00 0.00 O ATOM 230 CB GLU A 14 104.399 -1.036 -6.397 1.00 0.00 C ATOM 231 CG GLU A 14 105.634 -1.326 -7.253 1.00 0.00 C ATOM 232 CD GLU A 14 106.701 -0.264 -6.988 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.886 0.086 -5.834 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.316 0.182 -7.943 1.00 0.00 O ATOM 0 H GLU A 14 102.299 -2.274 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 14 105.169 -2.729 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.496 -1.129 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.432 -0.011 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.026 -2.316 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.364 -1.330 -8.309 1.00 0.00 H new ATOM 241 N GLN A 15 103.465 -0.524 -3.525 1.00 0.00 N ATOM 242 CA GLN A 15 103.546 0.242 -2.244 1.00 0.00 C ATOM 243 C GLN A 15 103.829 -0.728 -1.097 1.00 0.00 C ATOM 244 O GLN A 15 104.387 -0.363 -0.081 1.00 0.00 O ATOM 245 CB GLN A 15 102.218 0.950 -1.981 1.00 0.00 C ATOM 246 CG GLN A 15 101.754 1.657 -3.252 1.00 0.00 C ATOM 247 CD GLN A 15 102.897 2.504 -3.813 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.735 2.980 -3.072 1.00 0.00 O ATOM 249 NE2 GLN A 15 102.967 2.714 -5.099 1.00 0.00 N ATOM 0 H GLN A 15 102.586 -0.432 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 15 104.344 0.981 -2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.467 0.228 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.333 1.672 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.434 0.924 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.892 2.288 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.264 2.314 -5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.725 3.278 -5.483 1.00 0.00 H new ATOM 258 N ILE A 16 103.442 -1.961 -1.254 1.00 0.00 N ATOM 259 CA ILE A 16 103.678 -2.966 -0.179 1.00 0.00 C ATOM 260 C ILE A 16 105.073 -3.569 -0.346 1.00 0.00 C ATOM 261 O ILE A 16 105.934 -3.404 0.496 1.00 0.00 O ATOM 262 CB ILE A 16 102.626 -4.073 -0.277 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.227 -3.460 -0.176 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.819 -5.068 0.868 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.197 -4.447 -0.730 1.00 0.00 C ATOM 0 H ILE A 16 102.970 -2.319 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 16 103.605 -2.483 0.795 1.00 0.00 H new ATOM 0 HB ILE A 16 102.735 -4.587 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.997 -3.222 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.187 -2.524 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.069 -5.855 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.814 -5.508 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.712 -4.551 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.200 -4.011 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.425 -4.663 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.231 -5.371 -0.153 1.00 0.00 H new ATOM 277 N ASN A 17 105.308 -4.265 -1.426 1.00 0.00 N ATOM 278 CA ASN A 17 106.652 -4.870 -1.639 1.00 0.00 C ATOM 279 C ASN A 17 107.727 -3.827 -1.324 1.00 0.00 C ATOM 280 O ASN A 17 108.829 -4.155 -0.929 1.00 0.00 O ATOM 281 CB ASN A 17 106.785 -5.327 -3.094 1.00 0.00 C ATOM 282 CG ASN A 17 107.017 -6.839 -3.134 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.360 -7.438 -2.134 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.845 -7.484 -4.255 1.00 0.00 N ATOM 0 H ASN A 17 104.629 -4.440 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 17 106.776 -5.731 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.883 -5.072 -3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.614 -4.808 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.998 -8.492 -4.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.557 -6.981 -5.094 1.00 0.00 H new ATOM 291 N SER A 18 107.410 -2.572 -1.489 1.00 0.00 N ATOM 292 CA SER A 18 108.406 -1.504 -1.193 1.00 0.00 C ATOM 293 C SER A 18 108.271 -1.084 0.271 1.00 0.00 C ATOM 294 O SER A 18 109.248 -0.889 0.965 1.00 0.00 O ATOM 295 CB SER A 18 108.147 -0.296 -2.096 1.00 0.00 C ATOM 296 OG SER A 18 108.132 -0.719 -3.454 1.00 0.00 O ATOM 0 H SER A 18 106.503 -2.240 -1.816 1.00 0.00 H new ATOM 0 HA SER A 18 109.412 -1.881 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.196 0.169 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 18 108.921 0.457 -1.946 1.00 0.00 H new ATOM 0 HG SER A 18 107.226 -1.002 -3.699 1.00 0.00 H new ATOM 302 N ASN A 19 107.059 -0.946 0.739 1.00 0.00 N ATOM 303 CA ASN A 19 106.829 -0.542 2.158 1.00 0.00 C ATOM 304 C ASN A 19 106.965 0.974 2.287 1.00 0.00 C ATOM 305 O ASN A 19 108.017 1.490 2.606 1.00 0.00 O ATOM 306 CB ASN A 19 107.854 -1.225 3.069 1.00 0.00 C ATOM 307 CG ASN A 19 107.194 -1.581 4.403 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.103 -1.133 4.694 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.815 -2.375 5.233 1.00 0.00 N ATOM 0 H ASN A 19 106.210 -1.097 0.194 1.00 0.00 H new ATOM 0 HA ASN A 19 105.826 -0.846 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.239 -2.125 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.705 -0.564 3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.384 -2.619 6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.731 -2.752 4.990 1.00 0.00 H new ATOM 316 N THR A 20 105.904 1.692 2.045 1.00 0.00 N ATOM 317 CA THR A 20 105.968 3.175 2.156 1.00 0.00 C ATOM 318 C THR A 20 105.050 3.640 3.288 1.00 0.00 C ATOM 319 O THR A 20 105.254 4.684 3.875 1.00 0.00 O ATOM 320 CB THR A 20 105.513 3.804 0.837 1.00 0.00 C ATOM 321 OG1 THR A 20 105.212 2.777 -0.097 1.00 0.00 O ATOM 322 CG2 THR A 20 106.633 4.685 0.282 1.00 0.00 C ATOM 0 H THR A 20 104.995 1.315 1.775 1.00 0.00 H new ATOM 0 HA THR A 20 106.992 3.481 2.370 1.00 0.00 H new ATOM 0 HB THR A 20 104.624 4.411 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.771 3.166 -0.881 1.00 0.00 H new ATOM 0 HG21 THR A 20 106.311 5.134 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.866 5.472 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 20 107.521 4.078 0.108 1.00 0.00 H new ATOM 330 N ILE A 21 104.044 2.872 3.602 1.00 0.00 N ATOM 331 CA ILE A 21 103.120 3.273 4.698 1.00 0.00 C ATOM 332 C ILE A 21 103.442 2.453 5.956 1.00 0.00 C ATOM 333 O ILE A 21 103.570 1.245 5.886 1.00 0.00 O ATOM 334 CB ILE A 21 101.675 3.007 4.275 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.520 3.295 2.779 1.00 0.00 C ATOM 336 CG2 ILE A 21 100.732 3.914 5.067 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.694 4.792 2.526 1.00 0.00 C ATOM 0 H ILE A 21 103.822 1.986 3.148 1.00 0.00 H new ATOM 0 HA ILE A 21 103.245 4.335 4.909 1.00 0.00 H new ATOM 0 HB ILE A 21 101.427 1.964 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.260 2.731 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.538 2.969 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.703 3.722 4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 21 100.840 3.710 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 21 100.980 4.957 4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.584 4.996 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 21 100.937 5.345 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.686 5.104 2.854 1.00 0.00 H new ATOM 349 N PRO A 22 103.556 3.130 7.073 1.00 0.00 N ATOM 350 CA PRO A 22 103.861 2.481 8.358 1.00 0.00 C ATOM 351 C PRO A 22 102.623 1.757 8.888 1.00 0.00 C ATOM 352 O PRO A 22 101.795 2.330 9.569 1.00 0.00 O ATOM 353 CB PRO A 22 104.258 3.646 9.268 1.00 0.00 C ATOM 354 CG PRO A 22 103.633 4.916 8.645 1.00 0.00 C ATOM 355 CD PRO A 22 103.382 4.594 7.160 1.00 0.00 C ATOM 0 HA PRO A 22 104.645 1.727 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 22 103.891 3.490 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.342 3.737 9.332 1.00 0.00 H new ATOM 0 HG2 PRO A 22 102.702 5.178 9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 22 104.303 5.770 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.381 4.895 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.087 5.118 6.514 1.00 0.00 H new ATOM 363 N GLY A 23 102.490 0.500 8.568 1.00 0.00 N ATOM 364 CA GLY A 23 101.307 -0.272 9.038 1.00 0.00 C ATOM 365 C GLY A 23 100.746 -1.084 7.872 1.00 0.00 C ATOM 366 O GLY A 23 99.991 -2.018 8.059 1.00 0.00 O ATOM 0 H GLY A 23 103.152 -0.027 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.591 -0.934 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.546 0.405 9.426 1.00 0.00 H new ATOM 370 N LEU A 24 101.112 -0.738 6.666 1.00 0.00 N ATOM 371 CA LEU A 24 100.601 -1.489 5.491 1.00 0.00 C ATOM 372 C LEU A 24 101.753 -2.306 4.891 1.00 0.00 C ATOM 373 O LEU A 24 102.791 -1.772 4.551 1.00 0.00 O ATOM 374 CB LEU A 24 100.023 -0.485 4.471 1.00 0.00 C ATOM 375 CG LEU A 24 100.517 -0.790 3.053 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.891 -2.100 2.567 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.116 0.349 2.112 1.00 0.00 C ATOM 0 H LEU A 24 101.743 0.033 6.448 1.00 0.00 H new ATOM 0 HA LEU A 24 99.806 -2.177 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.934 -0.524 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.312 0.528 4.750 1.00 0.00 H new ATOM 0 HG LEU A 24 101.603 -0.886 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.241 -2.318 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.180 -2.911 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.805 -2.004 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.469 0.130 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.031 0.449 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.563 1.281 2.458 1.00 0.00 H new ATOM 389 N LYS A 25 101.579 -3.593 4.753 1.00 0.00 N ATOM 390 CA LYS A 25 102.678 -4.423 4.167 1.00 0.00 C ATOM 391 C LYS A 25 102.248 -5.891 4.031 1.00 0.00 C ATOM 392 O LYS A 25 101.138 -6.263 4.361 1.00 0.00 O ATOM 393 CB LYS A 25 103.924 -4.329 5.048 1.00 0.00 C ATOM 394 CG LYS A 25 103.507 -4.201 6.509 1.00 0.00 C ATOM 395 CD LYS A 25 102.709 -5.436 6.910 1.00 0.00 C ATOM 396 CE LYS A 25 103.005 -5.780 8.372 1.00 0.00 C ATOM 397 NZ LYS A 25 103.171 -4.522 9.155 1.00 0.00 N ATOM 0 H LYS A 25 100.736 -4.103 5.016 1.00 0.00 H new ATOM 0 HA LYS A 25 102.903 -4.038 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.545 -5.214 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.526 -3.469 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.387 -4.100 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.906 -3.303 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.643 -5.253 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.971 -6.276 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.192 -6.375 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.910 -6.384 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.935 -4.700 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.157 -4.197 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 102.538 -3.790 8.774 1.00 0.00 H new ATOM 411 N TRP A 26 103.129 -6.722 3.525 1.00 0.00 N ATOM 412 CA TRP A 26 102.799 -8.170 3.336 1.00 0.00 C ATOM 413 C TRP A 26 102.987 -8.941 4.645 1.00 0.00 C ATOM 414 O TRP A 26 104.087 -9.338 4.975 1.00 0.00 O ATOM 415 CB TRP A 26 103.758 -8.788 2.309 1.00 0.00 C ATOM 416 CG TRP A 26 103.394 -8.390 0.914 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.201 -7.700 0.080 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.175 -8.669 0.165 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.550 -7.516 -1.125 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.298 -8.097 -1.124 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.986 -9.349 0.476 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.277 -8.197 -2.070 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.956 -9.453 -0.473 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.102 -8.877 -1.743 1.00 0.00 C ATOM 0 H TRP A 26 104.069 -6.456 3.233 1.00 0.00 H new ATOM 0 HA TRP A 26 101.764 -8.235 3.002 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.778 -8.471 2.525 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.736 -9.874 2.396 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.195 -7.349 0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.946 -7.012 -1.918 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.863 -9.795 1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.395 -7.752 -3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.047 -9.979 -0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.306 -8.959 -2.468 1.00 0.00 H new ATOM 435 N LEU A 27 101.939 -9.209 5.376 1.00 0.00 N ATOM 436 CA LEU A 27 102.121 -10.010 6.618 1.00 0.00 C ATOM 437 C LEU A 27 102.826 -11.295 6.213 1.00 0.00 C ATOM 438 O LEU A 27 103.705 -11.793 6.890 1.00 0.00 O ATOM 439 CB LEU A 27 100.762 -10.369 7.232 1.00 0.00 C ATOM 440 CG LEU A 27 99.905 -9.116 7.441 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.967 -9.359 8.627 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.801 -7.907 7.745 1.00 0.00 C ATOM 0 H LEU A 27 100.984 -8.915 5.173 1.00 0.00 H new ATOM 0 HA LEU A 27 102.692 -9.442 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.238 -11.068 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.912 -10.874 8.186 1.00 0.00 H new ATOM 0 HG LEU A 27 99.331 -8.912 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.349 -8.476 8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.327 -10.215 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.556 -9.559 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.181 -7.022 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.378 -8.100 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.481 -7.739 6.910 1.00 0.00 H new ATOM 454 N ASN A 28 102.435 -11.822 5.088 1.00 0.00 N ATOM 455 CA ASN A 28 103.049 -13.067 4.570 1.00 0.00 C ATOM 456 C ASN A 28 102.978 -13.033 3.043 1.00 0.00 C ATOM 457 O ASN A 28 102.090 -13.604 2.437 1.00 0.00 O ATOM 458 CB ASN A 28 102.274 -14.277 5.095 1.00 0.00 C ATOM 459 CG ASN A 28 103.214 -15.176 5.900 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.667 -16.193 5.413 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.530 -14.843 7.122 1.00 0.00 N ATOM 0 H ASN A 28 101.701 -11.432 4.497 1.00 0.00 H new ATOM 0 HA ASN A 28 104.086 -13.144 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.445 -13.947 5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.844 -14.835 4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.156 -15.436 7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 28 103.151 -13.990 7.532 1.00 0.00 H new ATOM 468 N LYS A 29 103.901 -12.357 2.414 1.00 0.00 N ATOM 469 CA LYS A 29 103.882 -12.281 0.928 1.00 0.00 C ATOM 470 C LYS A 29 103.937 -13.703 0.368 1.00 0.00 C ATOM 471 O LYS A 29 103.568 -13.954 -0.761 1.00 0.00 O ATOM 472 CB LYS A 29 105.089 -11.462 0.446 1.00 0.00 C ATOM 473 CG LYS A 29 105.306 -11.672 -1.057 1.00 0.00 C ATOM 474 CD LYS A 29 104.304 -10.823 -1.842 1.00 0.00 C ATOM 475 CE LYS A 29 103.058 -11.655 -2.148 1.00 0.00 C ATOM 476 NZ LYS A 29 103.405 -12.727 -3.125 1.00 0.00 N ATOM 0 H LYS A 29 104.666 -11.855 2.866 1.00 0.00 H new ATOM 0 HA LYS A 29 102.972 -11.793 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.926 -10.404 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.982 -11.760 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.325 -11.396 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.182 -12.725 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 104.031 -9.939 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.757 -10.472 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.668 -12.096 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.273 -11.018 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.626 -12.843 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 104.273 -12.464 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 103.559 -13.622 -2.618 1.00 0.00 H new ATOM 490 N GLU A 30 104.387 -14.639 1.160 1.00 0.00 N ATOM 491 CA GLU A 30 104.456 -16.049 0.687 1.00 0.00 C ATOM 492 C GLU A 30 103.059 -16.507 0.263 1.00 0.00 C ATOM 493 O GLU A 30 102.885 -17.122 -0.769 1.00 0.00 O ATOM 494 CB GLU A 30 104.961 -16.939 1.826 1.00 0.00 C ATOM 495 CG GLU A 30 104.899 -18.406 1.396 1.00 0.00 C ATOM 496 CD GLU A 30 106.320 -18.953 1.242 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.149 -18.637 2.081 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.556 -19.678 0.290 1.00 0.00 O ATOM 0 H GLU A 30 104.710 -14.486 2.115 1.00 0.00 H new ATOM 0 HA GLU A 30 105.137 -16.121 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.984 -16.669 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.354 -16.785 2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.351 -18.990 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.359 -18.497 0.454 1.00 0.00 H new ATOM 505 N LYS A 31 102.063 -16.207 1.051 1.00 0.00 N ATOM 506 CA LYS A 31 100.679 -16.622 0.690 1.00 0.00 C ATOM 507 C LYS A 31 99.914 -15.413 0.140 1.00 0.00 C ATOM 508 O LYS A 31 98.745 -15.500 -0.179 1.00 0.00 O ATOM 509 CB LYS A 31 99.968 -17.169 1.928 1.00 0.00 C ATOM 510 CG LYS A 31 100.055 -18.697 1.928 1.00 0.00 C ATOM 511 CD LYS A 31 98.984 -19.272 2.858 1.00 0.00 C ATOM 512 CE LYS A 31 99.522 -20.531 3.544 1.00 0.00 C ATOM 513 NZ LYS A 31 100.471 -20.141 4.624 1.00 0.00 N ATOM 0 H LYS A 31 102.148 -15.693 1.928 1.00 0.00 H new ATOM 0 HA LYS A 31 100.717 -17.401 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.426 -16.767 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.925 -16.853 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.916 -19.079 0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.045 -19.015 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.701 -18.531 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 31 98.085 -19.511 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 98.699 -21.111 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.024 -21.168 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 100.613 -20.945 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 101.382 -19.868 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 100.081 -19.337 5.155 1.00 0.00 H new ATOM 527 N LYS A 32 100.572 -14.291 0.015 1.00 0.00 N ATOM 528 CA LYS A 32 99.897 -13.077 -0.530 1.00 0.00 C ATOM 529 C LYS A 32 99.003 -12.431 0.534 1.00 0.00 C ATOM 530 O LYS A 32 97.853 -12.129 0.285 1.00 0.00 O ATOM 531 CB LYS A 32 99.042 -13.468 -1.736 1.00 0.00 C ATOM 532 CG LYS A 32 99.808 -14.466 -2.604 1.00 0.00 C ATOM 533 CD LYS A 32 99.508 -14.196 -4.080 1.00 0.00 C ATOM 534 CE LYS A 32 99.844 -12.740 -4.408 1.00 0.00 C ATOM 535 NZ LYS A 32 100.279 -12.635 -5.830 1.00 0.00 N ATOM 0 H LYS A 32 101.552 -14.163 0.268 1.00 0.00 H new ATOM 0 HA LYS A 32 100.661 -12.360 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.102 -13.908 -1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.790 -12.582 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.878 -14.379 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.521 -15.485 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.092 -14.867 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 32 98.457 -14.395 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 32 98.973 -12.108 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.634 -12.381 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 100.507 -11.645 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.122 -13.226 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 99.512 -12.961 -6.453 1.00 0.00 H new ATOM 549 N ILE A 33 99.518 -12.191 1.709 1.00 0.00 N ATOM 550 CA ILE A 33 98.678 -11.538 2.758 1.00 0.00 C ATOM 551 C ILE A 33 99.220 -10.143 3.040 1.00 0.00 C ATOM 552 O ILE A 33 100.346 -9.980 3.457 1.00 0.00 O ATOM 553 CB ILE A 33 98.701 -12.347 4.051 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.027 -13.702 3.822 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.936 -11.567 5.125 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.058 -14.707 3.306 1.00 0.00 C ATOM 0 H ILE A 33 100.473 -12.415 1.988 1.00 0.00 H new ATOM 0 HA ILE A 33 97.652 -11.481 2.394 1.00 0.00 H new ATOM 0 HB ILE A 33 99.730 -12.513 4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.587 -14.062 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.214 -13.598 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.942 -12.131 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.414 -10.600 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.907 -11.414 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.576 -15.671 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.477 -14.348 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.856 -14.819 4.040 1.00 0.00 H new ATOM 568 N PHE A 34 98.431 -9.131 2.815 1.00 0.00 N ATOM 569 CA PHE A 34 98.918 -7.751 3.075 1.00 0.00 C ATOM 570 C PHE A 34 97.951 -7.041 4.019 1.00 0.00 C ATOM 571 O PHE A 34 96.779 -6.897 3.732 1.00 0.00 O ATOM 572 CB PHE A 34 99.028 -6.987 1.750 1.00 0.00 C ATOM 573 CG PHE A 34 97.661 -6.523 1.301 1.00 0.00 C ATOM 574 CD1 PHE A 34 97.176 -5.276 1.710 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.884 -7.338 0.469 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.912 -4.843 1.291 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.620 -6.905 0.050 1.00 0.00 C ATOM 578 CZ PHE A 34 95.134 -5.658 0.460 1.00 0.00 C ATOM 0 H PHE A 34 97.476 -9.200 2.464 1.00 0.00 H new ATOM 0 HA PHE A 34 99.903 -7.790 3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.690 -6.129 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.471 -7.628 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.777 -4.647 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.259 -8.299 0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.538 -3.881 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.019 -7.534 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.159 -5.325 0.135 1.00 0.00 H new ATOM 588 N GLN A 35 98.431 -6.598 5.147 1.00 0.00 N ATOM 589 CA GLN A 35 97.539 -5.901 6.111 1.00 0.00 C ATOM 590 C GLN A 35 97.709 -4.394 5.956 1.00 0.00 C ATOM 591 O GLN A 35 98.772 -3.915 5.630 1.00 0.00 O ATOM 592 CB GLN A 35 97.887 -6.356 7.543 1.00 0.00 C ATOM 593 CG GLN A 35 98.678 -5.280 8.298 1.00 0.00 C ATOM 594 CD GLN A 35 99.078 -5.812 9.677 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.636 -6.867 10.086 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.903 -5.122 10.415 1.00 0.00 N ATOM 0 H GLN A 35 99.403 -6.689 5.442 1.00 0.00 H new ATOM 0 HA GLN A 35 96.497 -6.151 5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.970 -6.584 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.470 -7.276 7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.567 -5.003 7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 35 98.075 -4.379 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.275 -4.236 10.073 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.176 -5.468 11.335 1.00 0.00 H new ATOM 605 N ILE A 36 96.673 -3.644 6.188 1.00 0.00 N ATOM 606 CA ILE A 36 96.790 -2.168 6.053 1.00 0.00 C ATOM 607 C ILE A 36 96.439 -1.543 7.412 1.00 0.00 C ATOM 608 O ILE A 36 95.721 -2.143 8.180 1.00 0.00 O ATOM 609 CB ILE A 36 95.809 -1.708 4.956 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.456 -1.919 3.585 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.443 -0.226 5.108 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.422 -1.654 2.490 1.00 0.00 C ATOM 0 H ILE A 36 95.753 -3.986 6.464 1.00 0.00 H new ATOM 0 HA ILE A 36 97.797 -1.861 5.771 1.00 0.00 H new ATOM 0 HB ILE A 36 94.897 -2.297 5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.308 -1.250 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.836 -2.937 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.750 0.061 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.973 -0.065 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.346 0.381 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.881 -1.804 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.584 -2.341 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.063 -0.628 2.569 1.00 0.00 H new ATOM 624 N PRO A 37 96.963 -0.369 7.678 1.00 0.00 N ATOM 625 CA PRO A 37 96.701 0.346 8.944 1.00 0.00 C ATOM 626 C PRO A 37 95.371 1.109 8.886 1.00 0.00 C ATOM 627 O PRO A 37 94.616 1.115 9.837 1.00 0.00 O ATOM 628 CB PRO A 37 97.870 1.312 9.058 1.00 0.00 C ATOM 629 CG PRO A 37 98.417 1.515 7.622 1.00 0.00 C ATOM 630 CD PRO A 37 97.886 0.344 6.771 1.00 0.00 C ATOM 0 HA PRO A 37 96.619 -0.328 9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.548 2.261 9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.642 0.910 9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.086 2.470 7.214 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.507 1.529 7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.372 0.701 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.695 -0.304 6.435 1.00 0.00 H new ATOM 638 N TRP A 38 95.060 1.731 7.776 1.00 0.00 N ATOM 639 CA TRP A 38 93.756 2.457 7.671 1.00 0.00 C ATOM 640 C TRP A 38 93.741 3.668 8.604 1.00 0.00 C ATOM 641 O TRP A 38 94.766 4.128 9.066 1.00 0.00 O ATOM 642 CB TRP A 38 92.644 1.494 8.063 1.00 0.00 C ATOM 643 CG TRP A 38 92.875 0.235 7.314 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.678 -0.771 7.711 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.342 -0.147 6.024 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.674 -1.753 6.736 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.855 -1.414 5.679 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.467 0.481 5.134 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.512 -2.039 4.484 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.116 -0.136 3.933 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.638 -1.396 3.602 1.00 0.00 C ATOM 0 H TRP A 38 95.648 1.768 6.943 1.00 0.00 H new ATOM 0 HA TRP A 38 93.613 2.811 6.650 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.654 1.311 9.137 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.668 1.913 7.820 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.233 -0.805 8.637 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.210 -2.619 6.792 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.059 1.451 5.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.916 -3.010 4.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.438 0.359 3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.366 -1.867 2.669 1.00 0.00 H new ATOM 865 N ALA A 52 97.242 8.863 3.932 1.00 0.00 N ATOM 866 CA ALA A 52 96.840 9.788 2.834 1.00 0.00 C ATOM 867 C ALA A 52 97.937 10.022 1.755 1.00 0.00 C ATOM 868 O ALA A 52 97.711 10.834 0.879 1.00 0.00 O ATOM 869 CB ALA A 52 96.453 11.135 3.445 1.00 0.00 C ATOM 0 HA ALA A 52 96.004 9.312 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.156 11.822 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 52 95.621 10.996 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 52 97.306 11.549 3.984 1.00 0.00 H new ATOM 875 N PRO A 53 99.085 9.354 1.796 1.00 0.00 N ATOM 876 CA PRO A 53 100.120 9.585 0.771 1.00 0.00 C ATOM 877 C PRO A 53 99.743 8.850 -0.518 1.00 0.00 C ATOM 878 O PRO A 53 100.037 9.299 -1.608 1.00 0.00 O ATOM 879 CB PRO A 53 101.397 9.023 1.398 1.00 0.00 C ATOM 880 CG PRO A 53 100.947 8.022 2.485 1.00 0.00 C ATOM 881 CD PRO A 53 99.473 8.340 2.801 1.00 0.00 C ATOM 0 HA PRO A 53 100.238 10.633 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.013 8.529 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.000 9.821 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.054 6.996 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.563 8.119 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 53 98.850 7.449 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.359 8.723 3.815 1.00 0.00 H new ATOM 889 N LEU A 54 99.067 7.740 -0.401 1.00 0.00 N ATOM 890 CA LEU A 54 98.636 6.996 -1.621 1.00 0.00 C ATOM 891 C LEU A 54 97.268 7.534 -1.986 1.00 0.00 C ATOM 892 O LEU A 54 97.009 7.985 -3.081 1.00 0.00 O ATOM 893 CB LEU A 54 98.481 5.496 -1.322 1.00 0.00 C ATOM 894 CG LEU A 54 99.802 4.839 -0.895 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.813 5.876 -0.405 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.502 3.861 0.239 1.00 0.00 C ATOM 0 H LEU A 54 98.794 7.315 0.485 1.00 0.00 H new ATOM 0 HA LEU A 54 99.372 7.122 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.741 5.361 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 54 98.098 4.990 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 54 100.235 4.329 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.735 5.375 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 54 101.024 6.585 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.401 6.409 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 54 100.427 3.381 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 54 99.063 4.401 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.802 3.102 -0.111 1.00 0.00 H new ATOM 908 N PHE A 55 96.398 7.498 -1.031 1.00 0.00 N ATOM 909 CA PHE A 55 95.028 8.008 -1.222 1.00 0.00 C ATOM 910 C PHE A 55 95.075 9.318 -2.022 1.00 0.00 C ATOM 911 O PHE A 55 94.129 9.677 -2.688 1.00 0.00 O ATOM 912 CB PHE A 55 94.448 8.260 0.164 1.00 0.00 C ATOM 913 CG PHE A 55 93.545 7.120 0.557 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.100 5.931 1.041 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.158 7.251 0.441 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.269 4.870 1.410 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.324 6.189 0.811 1.00 0.00 C ATOM 918 CZ PHE A 55 91.879 4.998 1.295 1.00 0.00 C ATOM 0 H PHE A 55 96.586 7.126 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 55 94.414 7.295 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.253 8.365 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.890 9.196 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.172 5.833 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.731 8.170 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.698 3.952 1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.252 6.288 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.236 4.179 1.579 1.00 0.00 H new ATOM 928 N ARG A 56 96.169 10.036 -1.958 1.00 0.00 N ATOM 929 CA ARG A 56 96.271 11.315 -2.722 1.00 0.00 C ATOM 930 C ARG A 56 96.625 11.002 -4.175 1.00 0.00 C ATOM 931 O ARG A 56 96.035 11.547 -5.088 1.00 0.00 O ATOM 932 CB ARG A 56 97.354 12.202 -2.105 1.00 0.00 C ATOM 933 CG ARG A 56 97.482 13.492 -2.917 1.00 0.00 C ATOM 934 CD ARG A 56 98.616 13.345 -3.933 1.00 0.00 C ATOM 935 NE ARG A 56 99.220 14.681 -4.201 1.00 0.00 N ATOM 936 CZ ARG A 56 99.849 15.320 -3.251 1.00 0.00 C ATOM 937 NH1 ARG A 56 99.949 14.794 -2.060 1.00 0.00 N ATOM 938 NH2 ARG A 56 100.380 16.489 -3.493 1.00 0.00 N ATOM 0 H ARG A 56 96.994 9.791 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 56 95.318 11.842 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.102 12.435 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.307 11.673 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.545 13.705 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.681 14.334 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.374 12.661 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 56 98.235 12.914 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 56 99.142 15.098 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 56 99.535 13.881 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 56 100.441 15.296 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 56 100.303 16.901 -4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 56 100.871 16.989 -2.752 1.00 0.00 H new ATOM 952 N ASN A 57 97.568 10.120 -4.407 1.00 0.00 N ATOM 953 CA ASN A 57 97.920 9.778 -5.816 1.00 0.00 C ATOM 954 C ASN A 57 96.611 9.582 -6.588 1.00 0.00 C ATOM 955 O ASN A 57 96.535 9.819 -7.777 1.00 0.00 O ATOM 956 CB ASN A 57 98.789 8.510 -5.857 1.00 0.00 C ATOM 957 CG ASN A 57 97.917 7.258 -5.832 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.258 6.941 -6.802 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.903 6.523 -4.758 1.00 0.00 N ATOM 0 H ASN A 57 98.102 9.629 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 57 98.501 10.578 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.404 8.513 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.470 8.502 -5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.336 5.675 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.459 6.795 -3.947 1.00 0.00 H new ATOM 966 N TRP A 58 95.564 9.199 -5.896 1.00 0.00 N ATOM 967 CA TRP A 58 94.240 9.046 -6.562 1.00 0.00 C ATOM 968 C TRP A 58 94.024 10.279 -7.432 1.00 0.00 C ATOM 969 O TRP A 58 94.595 11.320 -7.168 1.00 0.00 O ATOM 970 CB TRP A 58 93.134 9.036 -5.505 1.00 0.00 C ATOM 971 CG TRP A 58 92.707 7.647 -5.156 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.455 7.315 -4.771 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.482 6.412 -5.131 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.411 5.962 -4.508 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.633 5.361 -4.715 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.820 6.102 -5.424 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.093 4.055 -4.590 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.285 4.779 -5.302 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.423 3.760 -4.884 1.00 0.00 C ATOM 0 H TRP A 58 95.574 8.987 -4.898 1.00 0.00 H new ATOM 0 HA TRP A 58 94.216 8.123 -7.141 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.486 9.544 -4.607 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.275 9.598 -5.873 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.623 7.999 -4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.575 5.466 -4.198 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.495 6.882 -5.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.423 3.272 -4.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.315 4.549 -5.533 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.787 2.748 -4.789 1.00 0.00 H new ATOM 990 N ALA A 59 93.196 10.193 -8.437 1.00 0.00 N ATOM 991 CA ALA A 59 92.938 11.391 -9.292 1.00 0.00 C ATOM 992 C ALA A 59 94.059 11.553 -10.328 1.00 0.00 C ATOM 993 O ALA A 59 93.808 11.825 -11.486 1.00 0.00 O ATOM 994 CB ALA A 59 92.861 12.638 -8.403 1.00 0.00 C ATOM 0 H ALA A 59 92.688 9.350 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 59 91.993 11.261 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.673 13.515 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.051 12.522 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.804 12.765 -7.871 1.00 0.00 H new ATOM 1000 N ILE A 60 95.292 11.388 -9.928 1.00 0.00 N ATOM 1001 CA ILE A 60 96.417 11.533 -10.893 1.00 0.00 C ATOM 1002 C ILE A 60 96.817 10.149 -11.411 1.00 0.00 C ATOM 1003 O ILE A 60 97.352 10.011 -12.492 1.00 0.00 O ATOM 1004 CB ILE A 60 97.609 12.182 -10.187 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.099 13.226 -9.189 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.506 12.866 -11.220 1.00 0.00 C ATOM 1007 CD1 ILE A 60 96.166 14.203 -9.906 1.00 0.00 C ATOM 0 H ILE A 60 95.567 11.159 -8.973 1.00 0.00 H new ATOM 0 HA ILE A 60 96.108 12.159 -11.730 1.00 0.00 H new ATOM 0 HB ILE A 60 98.180 11.417 -9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 60 96.571 12.736 -8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 60 97.938 13.764 -8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.355 13.328 -10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 60 98.867 12.127 -11.935 1.00 0.00 H new ATOM 0 HG23 ILE A 60 97.936 13.632 -11.747 1.00 0.00 H new ATOM 0 HD11 ILE A 60 95.803 14.946 -9.196 1.00 0.00 H new ATOM 0 HD12 ILE A 60 96.709 14.702 -10.708 1.00 0.00 H new ATOM 0 HD13 ILE A 60 95.320 13.658 -10.325 1.00 0.00 H new ATOM 1019 N HIS A 61 96.559 9.122 -10.645 1.00 0.00 N ATOM 1020 CA HIS A 61 96.922 7.746 -11.091 1.00 0.00 C ATOM 1021 C HIS A 61 95.754 7.136 -11.868 1.00 0.00 C ATOM 1022 O HIS A 61 95.924 6.601 -12.945 1.00 0.00 O ATOM 1023 CB HIS A 61 97.231 6.876 -9.870 1.00 0.00 C ATOM 1024 CG HIS A 61 97.453 5.453 -10.309 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.605 5.053 -10.971 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.679 4.324 -10.189 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.492 3.735 -11.220 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.337 3.241 -10.765 1.00 0.00 N ATOM 0 H HIS A 61 96.112 9.177 -9.730 1.00 0.00 H new ATOM 0 HA HIS A 61 97.801 7.795 -11.734 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.117 7.252 -9.357 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.407 6.924 -9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.707 4.283 -9.719 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.244 3.148 -11.726 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.008 2.277 -10.826 1.00 0.00 H new ATOM 1036 N THR A 62 94.567 7.207 -11.329 1.00 0.00 N ATOM 1037 CA THR A 62 93.391 6.626 -12.039 1.00 0.00 C ATOM 1038 C THR A 62 93.000 7.530 -13.209 1.00 0.00 C ATOM 1039 O THR A 62 92.233 7.149 -14.071 1.00 0.00 O ATOM 1040 CB THR A 62 92.210 6.517 -11.071 1.00 0.00 C ATOM 1041 OG1 THR A 62 91.800 7.819 -10.679 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.631 5.717 -9.838 1.00 0.00 C ATOM 0 H THR A 62 94.361 7.641 -10.429 1.00 0.00 H new ATOM 0 HA THR A 62 93.651 5.636 -12.413 1.00 0.00 H new ATOM 0 HB THR A 62 91.381 6.009 -11.563 1.00 0.00 H new ATOM 0 HG1 THR A 62 91.043 7.751 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.790 5.640 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.944 4.718 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.460 6.222 -9.342 1.00 0.00 H new ATOM 1050 N GLY A 63 93.519 8.726 -13.248 1.00 0.00 N ATOM 1051 CA GLY A 63 93.172 9.651 -14.363 1.00 0.00 C ATOM 1052 C GLY A 63 91.720 10.109 -14.213 1.00 0.00 C ATOM 1053 O GLY A 63 90.839 9.656 -14.918 1.00 0.00 O ATOM 0 H GLY A 63 94.168 9.102 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 63 93.839 10.513 -14.355 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.309 9.150 -15.321 1.00 0.00 H new ATOM 1057 N LYS A 64 91.463 11.003 -13.298 1.00 0.00 N ATOM 1058 CA LYS A 64 90.069 11.492 -13.101 1.00 0.00 C ATOM 1059 C LYS A 64 90.103 12.953 -12.649 1.00 0.00 C ATOM 1060 O LYS A 64 89.130 13.481 -12.146 1.00 0.00 O ATOM 1061 CB LYS A 64 89.378 10.645 -12.030 1.00 0.00 C ATOM 1062 CG LYS A 64 89.102 9.244 -12.579 1.00 0.00 C ATOM 1063 CD LYS A 64 88.161 8.501 -11.628 1.00 0.00 C ATOM 1064 CE LYS A 64 87.730 7.178 -12.263 1.00 0.00 C ATOM 1065 NZ LYS A 64 86.693 6.532 -11.409 1.00 0.00 N ATOM 0 H LYS A 64 92.159 11.416 -12.678 1.00 0.00 H new ATOM 0 HA LYS A 64 89.519 11.412 -14.039 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.007 10.581 -11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.444 11.117 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.655 9.312 -13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 64 90.036 8.693 -12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.661 8.314 -10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.286 9.115 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 64 87.335 7.354 -13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.590 6.517 -12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 86.399 5.632 -11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 87.086 6.351 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 85.869 7.162 -11.327 1.00 0.00 H new ATOM 1079 N HIS A 65 91.218 13.610 -12.820 1.00 0.00 N ATOM 1080 CA HIS A 65 91.315 15.035 -12.395 1.00 0.00 C ATOM 1081 C HIS A 65 92.655 15.617 -12.862 1.00 0.00 C ATOM 1082 O HIS A 65 93.600 14.899 -13.126 1.00 0.00 O ATOM 1083 CB HIS A 65 91.209 15.109 -10.861 1.00 0.00 C ATOM 1084 CG HIS A 65 91.919 16.334 -10.339 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.285 17.560 -10.205 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.211 16.533 -9.923 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.191 18.433 -9.726 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.380 17.859 -9.535 1.00 0.00 N ATOM 0 H HIS A 65 92.065 13.222 -13.235 1.00 0.00 H new ATOM 0 HA HIS A 65 90.506 15.614 -12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.161 15.135 -10.564 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.643 14.213 -10.417 1.00 0.00 H new ATOM 0 HD1 HIS A 65 90.311 17.763 -10.428 1.00 0.00 H new ATOM 0 HD2 HIS A 65 93.980 15.776 -9.900 1.00 0.00 H new ATOM 0 HE1 HIS A 65 91.981 19.472 -9.521 1.00 0.00 H new ATOM 1096 N GLN A 66 92.740 16.915 -12.955 1.00 0.00 N ATOM 1097 CA GLN A 66 94.011 17.556 -13.390 1.00 0.00 C ATOM 1098 C GLN A 66 94.415 18.611 -12.351 1.00 0.00 C ATOM 1099 O GLN A 66 93.609 19.437 -11.973 1.00 0.00 O ATOM 1100 CB GLN A 66 93.807 18.229 -14.750 1.00 0.00 C ATOM 1101 CG GLN A 66 93.624 17.157 -15.826 1.00 0.00 C ATOM 1102 CD GLN A 66 93.035 17.794 -17.086 1.00 0.00 C ATOM 1103 OE1 GLN A 66 93.660 17.801 -18.127 1.00 0.00 O ATOM 1104 NE2 GLN A 66 91.847 18.333 -17.035 1.00 0.00 N ATOM 0 H GLN A 66 91.979 17.562 -12.747 1.00 0.00 H new ATOM 0 HA GLN A 66 94.794 16.803 -13.478 1.00 0.00 H new ATOM 0 HB2 GLN A 66 92.934 18.881 -14.718 1.00 0.00 H new ATOM 0 HB3 GLN A 66 94.665 18.857 -14.989 1.00 0.00 H new ATOM 0 HG2 GLN A 66 94.582 16.690 -16.056 1.00 0.00 H new ATOM 0 HG3 GLN A 66 92.964 16.370 -15.461 1.00 0.00 H new ATOM 0 HE21 GLN A 66 91.322 18.327 -16.161 1.00 0.00 H new ATOM 0 HE22 GLN A 66 91.444 18.760 -17.869 1.00 0.00 H new ATOM 1113 N PRO A 67 95.645 18.545 -11.908 1.00 0.00 N ATOM 1114 CA PRO A 67 96.171 19.481 -10.898 1.00 0.00 C ATOM 1115 C PRO A 67 96.543 20.824 -11.536 1.00 0.00 C ATOM 1116 O PRO A 67 96.911 21.761 -10.855 1.00 0.00 O ATOM 1117 CB PRO A 67 97.420 18.770 -10.371 1.00 0.00 C ATOM 1118 CG PRO A 67 97.856 17.775 -11.473 1.00 0.00 C ATOM 1119 CD PRO A 67 96.625 17.540 -12.368 1.00 0.00 C ATOM 0 HA PRO A 67 95.447 19.711 -10.117 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.214 19.486 -10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.205 18.247 -9.439 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.685 18.179 -12.054 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.200 16.838 -11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 67 96.868 17.674 -13.422 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.239 16.527 -12.256 1.00 0.00 H new ATOM 1127 N GLY A 68 96.457 20.929 -12.834 1.00 0.00 N ATOM 1128 CA GLY A 68 96.816 22.215 -13.498 1.00 0.00 C ATOM 1129 C GLY A 68 95.612 22.766 -14.263 1.00 0.00 C ATOM 1130 O GLY A 68 95.746 23.638 -15.100 1.00 0.00 O ATOM 0 H GLY A 68 96.155 20.184 -13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.145 22.939 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 68 97.651 22.060 -14.181 1.00 0.00 H new ATOM 1134 N ILE A 69 94.436 22.271 -13.989 1.00 0.00 N ATOM 1135 CA ILE A 69 93.234 22.778 -14.711 1.00 0.00 C ATOM 1136 C ILE A 69 92.063 22.907 -13.731 1.00 0.00 C ATOM 1137 O ILE A 69 91.576 23.990 -13.471 1.00 0.00 O ATOM 1138 CB ILE A 69 92.864 21.804 -15.836 1.00 0.00 C ATOM 1139 CG1 ILE A 69 93.837 21.984 -17.003 1.00 0.00 C ATOM 1140 CG2 ILE A 69 91.440 22.089 -16.322 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.162 21.291 -16.678 1.00 0.00 C ATOM 0 H ILE A 69 94.255 21.541 -13.300 1.00 0.00 H new ATOM 0 HA ILE A 69 93.453 23.756 -15.139 1.00 0.00 H new ATOM 0 HB ILE A 69 92.921 20.783 -15.459 1.00 0.00 H new ATOM 0 HG12 ILE A 69 93.410 21.565 -17.914 1.00 0.00 H new ATOM 0 HG13 ILE A 69 94.006 23.045 -17.189 1.00 0.00 H new ATOM 0 HG21 ILE A 69 91.182 21.394 -17.121 1.00 0.00 H new ATOM 0 HG22 ILE A 69 90.741 21.965 -15.494 1.00 0.00 H new ATOM 0 HG23 ILE A 69 91.381 23.111 -16.697 1.00 0.00 H new ATOM 0 HD11 ILE A 69 95.854 21.420 -17.510 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.591 21.731 -15.778 1.00 0.00 H new ATOM 0 HD13 ILE A 69 94.986 20.228 -16.514 1.00 0.00 H new ATOM 1153 N ASP A 70 91.602 21.812 -13.191 1.00 0.00 N ATOM 1154 CA ASP A 70 90.459 21.876 -12.236 1.00 0.00 C ATOM 1155 C ASP A 70 90.979 21.787 -10.799 1.00 0.00 C ATOM 1156 O ASP A 70 92.131 21.480 -10.563 1.00 0.00 O ATOM 1157 CB ASP A 70 89.507 20.707 -12.504 1.00 0.00 C ATOM 1158 CG ASP A 70 89.472 20.411 -14.004 1.00 0.00 C ATOM 1159 OD1 ASP A 70 90.298 19.636 -14.455 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.617 20.963 -14.676 1.00 0.00 O ATOM 0 H ASP A 70 91.967 20.876 -13.370 1.00 0.00 H new ATOM 0 HA ASP A 70 89.930 22.820 -12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 70 89.835 19.824 -11.956 1.00 0.00 H new ATOM 0 HB3 ASP A 70 88.506 20.950 -12.147 1.00 0.00 H new ATOM 1165 N LYS A 71 90.135 22.049 -9.838 1.00 0.00 N ATOM 1166 CA LYS A 71 90.574 21.974 -8.416 1.00 0.00 C ATOM 1167 C LYS A 71 90.571 20.510 -7.963 1.00 0.00 C ATOM 1168 O LYS A 71 89.807 19.710 -8.467 1.00 0.00 O ATOM 1169 CB LYS A 71 89.614 22.783 -7.540 1.00 0.00 C ATOM 1170 CG LYS A 71 89.529 24.218 -8.064 1.00 0.00 C ATOM 1171 CD LYS A 71 88.768 25.088 -7.060 1.00 0.00 C ATOM 1172 CE LYS A 71 89.572 26.357 -6.769 1.00 0.00 C ATOM 1173 NZ LYS A 71 89.231 26.863 -5.409 1.00 0.00 N ATOM 0 H LYS A 71 89.159 22.312 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 71 91.580 22.384 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.626 22.324 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 71 89.960 22.782 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 71 90.531 24.618 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 71 89.024 24.234 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 71 87.788 25.350 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 71 88.598 24.533 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 71 90.640 26.146 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 71 89.352 27.119 -7.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 89.778 27.725 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 88.215 27.080 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 89.462 26.137 -4.701 1.00 0.00 H new ATOM 1187 N PRO A 72 91.428 20.205 -7.024 1.00 0.00 N ATOM 1188 CA PRO A 72 91.556 18.843 -6.476 1.00 0.00 C ATOM 1189 C PRO A 72 90.428 18.556 -5.481 1.00 0.00 C ATOM 1190 O PRO A 72 89.939 19.443 -4.810 1.00 0.00 O ATOM 1191 CB PRO A 72 92.914 18.868 -5.768 1.00 0.00 C ATOM 1192 CG PRO A 72 93.221 20.354 -5.463 1.00 0.00 C ATOM 1193 CD PRO A 72 92.349 21.189 -6.419 1.00 0.00 C ATOM 0 HA PRO A 72 91.491 18.067 -7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.884 18.281 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.689 18.433 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.993 20.591 -4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.279 20.570 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.805 21.967 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.954 21.687 -7.177 1.00 0.00 H new ATOM 1201 N ASP A 73 90.017 17.323 -5.380 1.00 0.00 N ATOM 1202 CA ASP A 73 88.925 16.975 -4.427 1.00 0.00 C ATOM 1203 C ASP A 73 89.202 15.591 -3.831 1.00 0.00 C ATOM 1204 O ASP A 73 88.821 14.586 -4.400 1.00 0.00 O ATOM 1205 CB ASP A 73 87.586 16.954 -5.167 1.00 0.00 C ATOM 1206 CG ASP A 73 87.502 18.155 -6.111 1.00 0.00 C ATOM 1207 OD1 ASP A 73 87.770 19.256 -5.662 1.00 0.00 O ATOM 1208 OD2 ASP A 73 87.173 17.951 -7.267 1.00 0.00 O ATOM 0 H ASP A 73 90.390 16.540 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 73 88.883 17.717 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.486 16.027 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.764 16.982 -4.452 1.00 0.00 H new ATOM 1213 N PRO A 74 89.861 15.582 -2.701 1.00 0.00 N ATOM 1214 CA PRO A 74 90.213 14.338 -1.995 1.00 0.00 C ATOM 1215 C PRO A 74 88.993 13.775 -1.260 1.00 0.00 C ATOM 1216 O PRO A 74 89.047 12.712 -0.673 1.00 0.00 O ATOM 1217 CB PRO A 74 91.291 14.782 -1.003 1.00 0.00 C ATOM 1218 CG PRO A 74 91.097 16.303 -0.799 1.00 0.00 C ATOM 1219 CD PRO A 74 90.313 16.813 -2.021 1.00 0.00 C ATOM 0 HA PRO A 74 90.554 13.548 -2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 74 91.193 14.248 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 74 92.287 14.566 -1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 74 90.551 16.504 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 74 92.059 16.809 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 74 89.470 17.435 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.942 17.420 -2.673 1.00 0.00 H new ATOM 1227 N LYS A 75 87.894 14.477 -1.288 1.00 0.00 N ATOM 1228 CA LYS A 75 86.674 13.977 -0.592 1.00 0.00 C ATOM 1229 C LYS A 75 86.113 12.776 -1.354 1.00 0.00 C ATOM 1230 O LYS A 75 85.461 11.919 -0.789 1.00 0.00 O ATOM 1231 CB LYS A 75 85.621 15.086 -0.541 1.00 0.00 C ATOM 1232 CG LYS A 75 85.078 15.342 -1.948 1.00 0.00 C ATOM 1233 CD LYS A 75 84.303 16.660 -1.962 1.00 0.00 C ATOM 1234 CE LYS A 75 84.132 17.140 -3.403 1.00 0.00 C ATOM 1235 NZ LYS A 75 82.910 17.987 -3.500 1.00 0.00 N ATOM 0 H LYS A 75 87.787 15.374 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 75 86.932 13.678 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.809 14.800 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.059 15.999 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 75 85.898 15.382 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 75 84.428 14.522 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.327 16.525 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.834 17.412 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 75 85.008 17.709 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 75 84.050 16.286 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.792 18.315 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 82.078 17.430 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 83.006 18.808 -2.869 1.00 0.00 H new ATOM 1249 N THR A 76 86.362 12.706 -2.633 1.00 0.00 N ATOM 1250 CA THR A 76 85.843 11.561 -3.433 1.00 0.00 C ATOM 1251 C THR A 76 86.945 10.511 -3.593 1.00 0.00 C ATOM 1252 O THR A 76 86.685 9.326 -3.639 1.00 0.00 O ATOM 1253 CB THR A 76 85.403 12.057 -4.813 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.352 13.477 -4.810 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.018 11.495 -5.140 1.00 0.00 C ATOM 0 H THR A 76 86.903 13.393 -3.159 1.00 0.00 H new ATOM 0 HA THR A 76 84.990 11.117 -2.920 1.00 0.00 H new ATOM 0 HB THR A 76 86.116 11.721 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.072 13.796 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 76 83.705 11.848 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.058 10.406 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.303 11.830 -4.389 1.00 0.00 H new ATOM 1263 N TRP A 77 88.176 10.936 -3.672 1.00 0.00 N ATOM 1264 CA TRP A 77 89.293 9.959 -3.821 1.00 0.00 C ATOM 1265 C TRP A 77 89.188 8.906 -2.715 1.00 0.00 C ATOM 1266 O TRP A 77 89.614 7.779 -2.871 1.00 0.00 O ATOM 1267 CB TRP A 77 90.630 10.689 -3.692 1.00 0.00 C ATOM 1268 CG TRP A 77 90.702 11.792 -4.698 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.874 11.934 -5.760 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.635 12.907 -4.755 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.243 13.067 -6.464 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.323 13.700 -5.884 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.713 13.304 -3.943 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.054 14.846 -6.197 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.450 14.457 -4.255 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.122 15.227 -5.380 1.00 0.00 C ATOM 0 H TRP A 77 88.457 11.916 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 77 89.232 9.480 -4.798 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.738 11.094 -2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.453 9.990 -3.845 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.060 11.272 -6.016 1.00 0.00 H new ATOM 0 HE1 TRP A 77 89.774 13.394 -7.309 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.975 12.718 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.796 15.435 -7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.275 14.753 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.694 16.113 -5.615 1.00 0.00 H new ATOM 1287 N LYS A 78 88.627 9.272 -1.596 1.00 0.00 N ATOM 1288 CA LYS A 78 88.495 8.305 -0.470 1.00 0.00 C ATOM 1289 C LYS A 78 87.423 7.262 -0.796 1.00 0.00 C ATOM 1290 O LYS A 78 87.548 6.106 -0.451 1.00 0.00 O ATOM 1291 CB LYS A 78 88.094 9.063 0.798 1.00 0.00 C ATOM 1292 CG LYS A 78 88.651 8.342 2.027 1.00 0.00 C ATOM 1293 CD LYS A 78 87.520 8.099 3.028 1.00 0.00 C ATOM 1294 CE LYS A 78 87.972 7.076 4.072 1.00 0.00 C ATOM 1295 NZ LYS A 78 86.793 6.605 4.853 1.00 0.00 N ATOM 0 H LYS A 78 88.253 10.203 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 78 89.449 7.800 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.475 10.083 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.008 9.131 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 78 89.102 7.394 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.438 8.940 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 78 87.245 9.034 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 78 86.633 7.737 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 78 88.457 6.232 3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 78 88.708 7.524 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 87.102 5.910 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 86.348 7.414 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 86.105 6.162 4.211 1.00 0.00 H new ATOM 1309 N ALA A 79 86.366 7.661 -1.448 1.00 0.00 N ATOM 1310 CA ALA A 79 85.287 6.688 -1.781 1.00 0.00 C ATOM 1311 C ALA A 79 85.794 5.682 -2.818 1.00 0.00 C ATOM 1312 O ALA A 79 85.622 4.488 -2.674 1.00 0.00 O ATOM 1313 CB ALA A 79 84.081 7.439 -2.347 1.00 0.00 C ATOM 0 H ALA A 79 86.203 8.617 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 79 84.995 6.154 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.291 6.728 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.714 8.149 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.377 7.976 -3.248 1.00 0.00 H new ATOM 1319 N ASN A 80 86.414 6.154 -3.864 1.00 0.00 N ATOM 1320 CA ASN A 80 86.925 5.222 -4.910 1.00 0.00 C ATOM 1321 C ASN A 80 87.985 4.301 -4.304 1.00 0.00 C ATOM 1322 O ASN A 80 88.143 3.167 -4.712 1.00 0.00 O ATOM 1323 CB ASN A 80 87.546 6.031 -6.049 1.00 0.00 C ATOM 1324 CG ASN A 80 86.674 5.905 -7.299 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.071 5.296 -8.273 1.00 0.00 O ATOM 1326 ND2 ASN A 80 85.492 6.458 -7.313 1.00 0.00 N ATOM 0 H ASN A 80 86.589 7.143 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 80 86.101 4.621 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 80 87.635 7.078 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.553 5.671 -6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 80 84.902 6.379 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 80 85.158 6.969 -6.496 1.00 0.00 H new ATOM 1333 N PHE A 81 88.717 4.778 -3.336 1.00 0.00 N ATOM 1334 CA PHE A 81 89.768 3.931 -2.707 1.00 0.00 C ATOM 1335 C PHE A 81 89.110 2.850 -1.851 1.00 0.00 C ATOM 1336 O PHE A 81 89.210 1.672 -2.133 1.00 0.00 O ATOM 1337 CB PHE A 81 90.659 4.805 -1.825 1.00 0.00 C ATOM 1338 CG PHE A 81 92.055 4.236 -1.797 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.258 2.861 -1.963 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.148 5.086 -1.604 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.556 2.338 -1.935 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.445 4.565 -1.575 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.650 3.190 -1.739 1.00 0.00 C ATOM 0 H PHE A 81 88.632 5.720 -2.953 1.00 0.00 H new ATOM 0 HA PHE A 81 90.370 3.460 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.679 5.825 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.254 4.852 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.414 2.204 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.990 6.147 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.714 1.277 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.288 5.223 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.651 2.786 -1.714 1.00 0.00 H new ATOM 1353 N ARG A 82 88.433 3.242 -0.808 1.00 0.00 N ATOM 1354 CA ARG A 82 87.764 2.240 0.068 1.00 0.00 C ATOM 1355 C ARG A 82 87.012 1.227 -0.798 1.00 0.00 C ATOM 1356 O ARG A 82 86.761 0.116 -0.384 1.00 0.00 O ATOM 1357 CB ARG A 82 86.775 2.952 0.993 1.00 0.00 C ATOM 1358 CG ARG A 82 86.175 1.941 1.972 1.00 0.00 C ATOM 1359 CD ARG A 82 84.846 1.424 1.421 1.00 0.00 C ATOM 1360 NE ARG A 82 84.048 0.828 2.529 1.00 0.00 N ATOM 1361 CZ ARG A 82 83.471 1.601 3.410 1.00 0.00 C ATOM 1362 NH1 ARG A 82 83.590 2.900 3.323 1.00 0.00 N ATOM 1363 NH2 ARG A 82 82.778 1.074 4.382 1.00 0.00 N ATOM 0 H ARG A 82 88.314 4.214 -0.524 1.00 0.00 H new ATOM 0 HA ARG A 82 88.514 1.722 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 82 87.280 3.748 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.984 3.420 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.866 1.111 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 82 86.020 2.408 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 82 84.291 2.239 0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 82 85.026 0.679 0.646 1.00 0.00 H new ATOM 0 HE ARG A 82 83.952 -0.185 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 82 84.135 3.313 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 82 83.138 3.501 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 82 82.688 0.060 4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 82 82.327 1.676 5.071 1.00 0.00 H new ATOM 1377 N CYS A 83 86.647 1.602 -1.997 1.00 0.00 N ATOM 1378 CA CYS A 83 85.908 0.659 -2.887 1.00 0.00 C ATOM 1379 C CYS A 83 86.823 -0.508 -3.270 1.00 0.00 C ATOM 1380 O CYS A 83 86.460 -1.660 -3.145 1.00 0.00 O ATOM 1381 CB CYS A 83 85.469 1.395 -4.155 1.00 0.00 C ATOM 1382 SG CYS A 83 84.072 2.481 -3.773 1.00 0.00 S ATOM 0 H CYS A 83 86.829 2.522 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 83 85.032 0.278 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.298 1.979 -4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.185 0.677 -4.925 1.00 0.00 H new ATOM 0 HG CYS A 83 84.494 3.510 -3.100 1.00 0.00 H new ATOM 1388 N ALA A 84 88.006 -0.217 -3.736 1.00 0.00 N ATOM 1389 CA ALA A 84 88.947 -1.305 -4.126 1.00 0.00 C ATOM 1390 C ALA A 84 89.099 -2.282 -2.962 1.00 0.00 C ATOM 1391 O ALA A 84 88.944 -3.478 -3.117 1.00 0.00 O ATOM 1392 CB ALA A 84 90.307 -0.693 -4.473 1.00 0.00 C ATOM 0 H ALA A 84 88.363 0.730 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 84 88.559 -1.838 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.000 -1.484 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.191 0.005 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.700 -0.163 -3.605 1.00 0.00 H new ATOM 1398 N MET A 85 89.388 -1.784 -1.796 1.00 0.00 N ATOM 1399 CA MET A 85 89.537 -2.689 -0.621 1.00 0.00 C ATOM 1400 C MET A 85 88.160 -3.226 -0.234 1.00 0.00 C ATOM 1401 O MET A 85 88.034 -4.225 0.443 1.00 0.00 O ATOM 1402 CB MET A 85 90.146 -1.922 0.559 1.00 0.00 C ATOM 1403 CG MET A 85 89.616 -0.488 0.581 1.00 0.00 C ATOM 1404 SD MET A 85 90.835 0.626 -0.166 1.00 0.00 S ATOM 1405 CE MET A 85 92.159 0.352 1.033 1.00 0.00 C ATOM 0 H MET A 85 89.528 -0.792 -1.603 1.00 0.00 H new ATOM 0 HA MET A 85 90.198 -3.516 -0.878 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.900 -2.424 1.495 1.00 0.00 H new ATOM 0 HB3 MET A 85 91.233 -1.915 0.477 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.674 -0.430 0.036 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.410 -0.182 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 85 93.125 0.460 0.540 1.00 0.00 H new ATOM 0 HE2 MET A 85 92.078 1.083 1.837 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.073 -0.653 1.446 1.00 0.00 H new ATOM 1415 N ASN A 86 87.121 -2.568 -0.666 1.00 0.00 N ATOM 1416 CA ASN A 86 85.750 -3.037 -0.336 1.00 0.00 C ATOM 1417 C ASN A 86 85.288 -4.038 -1.405 1.00 0.00 C ATOM 1418 O ASN A 86 84.258 -4.667 -1.270 1.00 0.00 O ATOM 1419 CB ASN A 86 84.808 -1.821 -0.291 1.00 0.00 C ATOM 1420 CG ASN A 86 83.408 -2.205 -0.770 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.485 -2.306 0.014 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.217 -2.424 -2.040 1.00 0.00 N ATOM 0 H ASN A 86 87.164 -1.723 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 86 85.740 -3.533 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.756 -1.432 0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 86 85.206 -1.023 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.290 -2.681 -2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.994 -2.338 -2.695 1.00 0.00 H new ATOM 1429 N SER A 87 86.032 -4.184 -2.470 1.00 0.00 N ATOM 1430 CA SER A 87 85.608 -5.138 -3.534 1.00 0.00 C ATOM 1431 C SER A 87 86.746 -6.095 -3.872 1.00 0.00 C ATOM 1432 O SER A 87 86.944 -7.062 -3.175 1.00 0.00 O ATOM 1433 CB SER A 87 85.185 -4.364 -4.784 1.00 0.00 C ATOM 1434 OG SER A 87 84.857 -5.284 -5.817 1.00 0.00 O ATOM 0 H SER A 87 86.906 -3.689 -2.647 1.00 0.00 H new ATOM 0 HA SER A 87 84.761 -5.720 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 87 84.327 -3.730 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 87 85.991 -3.707 -5.109 1.00 0.00 H new ATOM 0 HG SER A 87 84.584 -4.792 -6.619 1.00 0.00 H new ATOM 1440 N LEU A 88 87.482 -5.830 -4.928 1.00 0.00 N ATOM 1441 CA LEU A 88 88.613 -6.728 -5.332 1.00 0.00 C ATOM 1442 C LEU A 88 88.299 -8.197 -4.962 1.00 0.00 C ATOM 1443 O LEU A 88 88.363 -8.581 -3.806 1.00 0.00 O ATOM 1444 CB LEU A 88 89.865 -6.281 -4.591 1.00 0.00 C ATOM 1445 CG LEU A 88 90.383 -4.961 -5.155 1.00 0.00 C ATOM 1446 CD1 LEU A 88 91.278 -4.297 -4.104 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.196 -5.228 -6.423 1.00 0.00 C ATOM 0 H LEU A 88 87.345 -5.021 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 88 88.759 -6.666 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 88 89.644 -6.167 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.637 -7.046 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 88 89.546 -4.307 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 88 91.656 -3.352 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 88 90.700 -4.112 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 88 92.116 -4.955 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 88 91.565 -4.284 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.040 -5.876 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 88 90.563 -5.715 -7.165 1.00 0.00 H new ATOM 1459 N PRO A 89 87.966 -8.982 -5.960 1.00 0.00 N ATOM 1460 CA PRO A 89 87.609 -10.408 -5.774 1.00 0.00 C ATOM 1461 C PRO A 89 88.822 -11.293 -5.438 1.00 0.00 C ATOM 1462 O PRO A 89 88.852 -12.461 -5.769 1.00 0.00 O ATOM 1463 CB PRO A 89 86.994 -10.802 -7.120 1.00 0.00 C ATOM 1464 CG PRO A 89 87.523 -9.786 -8.157 1.00 0.00 C ATOM 1465 CD PRO A 89 87.930 -8.530 -7.368 1.00 0.00 C ATOM 0 HA PRO A 89 86.934 -10.548 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 89 87.277 -11.819 -7.393 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.905 -10.776 -7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 89 88.374 -10.195 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.756 -9.549 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.901 -8.154 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.213 -7.721 -7.509 1.00 0.00 H new ATOM 1473 N ASP A 90 89.808 -10.763 -4.767 1.00 0.00 N ATOM 1474 CA ASP A 90 90.986 -11.585 -4.392 1.00 0.00 C ATOM 1475 C ASP A 90 91.511 -11.096 -3.039 1.00 0.00 C ATOM 1476 O ASP A 90 92.622 -11.394 -2.652 1.00 0.00 O ATOM 1477 CB ASP A 90 92.078 -11.426 -5.452 1.00 0.00 C ATOM 1478 CG ASP A 90 92.472 -12.803 -5.988 1.00 0.00 C ATOM 1479 OD1 ASP A 90 93.337 -13.424 -5.391 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.903 -13.214 -6.985 1.00 0.00 O ATOM 0 H ASP A 90 89.845 -9.790 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 90 90.703 -12.636 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.720 -10.796 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.948 -10.929 -5.022 1.00 0.00 H new ATOM 1485 N ILE A 91 90.722 -10.320 -2.330 1.00 0.00 N ATOM 1486 CA ILE A 91 91.179 -9.778 -1.015 1.00 0.00 C ATOM 1487 C ILE A 91 90.180 -10.157 0.087 1.00 0.00 C ATOM 1488 O ILE A 91 88.993 -10.268 -0.146 1.00 0.00 O ATOM 1489 CB ILE A 91 91.313 -8.233 -1.129 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.521 -7.491 -0.022 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.793 -7.769 -2.484 1.00 0.00 C ATOM 1492 CD1 ILE A 91 90.247 -6.036 -0.441 1.00 0.00 C ATOM 0 H ILE A 91 89.781 -10.041 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 91 92.147 -10.205 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 91 92.371 -7.996 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.579 -8.005 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 91 91.085 -7.507 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.889 -6.686 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.373 -8.241 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.744 -8.048 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 91 89.690 -5.529 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 91 91.193 -5.521 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.663 -6.026 -1.361 1.00 0.00 H new ATOM 1504 N GLU A 92 90.655 -10.326 1.291 1.00 0.00 N ATOM 1505 CA GLU A 92 89.738 -10.662 2.414 1.00 0.00 C ATOM 1506 C GLU A 92 90.089 -9.788 3.620 1.00 0.00 C ATOM 1507 O GLU A 92 90.998 -10.080 4.371 1.00 0.00 O ATOM 1508 CB GLU A 92 89.885 -12.141 2.781 1.00 0.00 C ATOM 1509 CG GLU A 92 88.656 -12.599 3.567 1.00 0.00 C ATOM 1510 CD GLU A 92 87.391 -12.307 2.755 1.00 0.00 C ATOM 1511 OE1 GLU A 92 87.392 -12.595 1.570 1.00 0.00 O ATOM 1512 OE2 GLU A 92 86.445 -11.802 3.334 1.00 0.00 O ATOM 0 H GLU A 92 91.640 -10.246 1.544 1.00 0.00 H new ATOM 0 HA GLU A 92 88.706 -10.477 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 92 89.996 -12.741 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.786 -12.291 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.725 -13.666 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.612 -12.083 4.526 1.00 0.00 H new ATOM 1519 N GLU A 93 89.384 -8.705 3.796 1.00 0.00 N ATOM 1520 CA GLU A 93 89.680 -7.791 4.935 1.00 0.00 C ATOM 1521 C GLU A 93 89.428 -8.491 6.271 1.00 0.00 C ATOM 1522 O GLU A 93 88.465 -9.213 6.440 1.00 0.00 O ATOM 1523 CB GLU A 93 88.791 -6.550 4.830 1.00 0.00 C ATOM 1524 CG GLU A 93 87.326 -6.952 5.004 1.00 0.00 C ATOM 1525 CD GLU A 93 86.462 -5.695 5.125 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.578 -4.835 4.268 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.698 -5.614 6.073 1.00 0.00 O ATOM 0 H GLU A 93 88.612 -8.412 3.197 1.00 0.00 H new ATOM 0 HA GLU A 93 90.730 -7.502 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 93 89.072 -5.823 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.934 -6.069 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.999 -7.550 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.211 -7.572 5.893 1.00 0.00 H new ATOM 1534 N VAL A 94 90.295 -8.272 7.224 1.00 0.00 N ATOM 1535 CA VAL A 94 90.129 -8.907 8.559 1.00 0.00 C ATOM 1536 C VAL A 94 90.561 -7.911 9.641 1.00 0.00 C ATOM 1537 O VAL A 94 91.737 -7.721 9.889 1.00 0.00 O ATOM 1538 CB VAL A 94 91.005 -10.157 8.636 1.00 0.00 C ATOM 1539 CG1 VAL A 94 90.736 -10.890 9.951 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.673 -11.080 7.461 1.00 0.00 C ATOM 0 H VAL A 94 91.117 -7.675 7.131 1.00 0.00 H new ATOM 0 HA VAL A 94 89.086 -9.186 8.711 1.00 0.00 H new ATOM 0 HB VAL A 94 92.055 -9.869 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.361 -11.781 10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 94 90.969 -10.232 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 94 89.686 -11.180 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.296 -11.973 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.623 -11.367 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.864 -10.558 6.523 1.00 0.00 H new ATOM 1550 N LYS A 95 89.621 -7.266 10.276 1.00 0.00 N ATOM 1551 CA LYS A 95 89.976 -6.273 11.332 1.00 0.00 C ATOM 1552 C LYS A 95 90.029 -6.962 12.692 1.00 0.00 C ATOM 1553 O LYS A 95 89.804 -6.356 13.720 1.00 0.00 O ATOM 1554 CB LYS A 95 88.913 -5.182 11.371 1.00 0.00 C ATOM 1555 CG LYS A 95 87.572 -5.823 11.729 1.00 0.00 C ATOM 1556 CD LYS A 95 86.700 -4.810 12.475 1.00 0.00 C ATOM 1557 CE LYS A 95 86.515 -5.270 13.923 1.00 0.00 C ATOM 1558 NZ LYS A 95 86.189 -4.096 14.783 1.00 0.00 N ATOM 0 H LYS A 95 88.621 -7.383 10.110 1.00 0.00 H new ATOM 0 HA LYS A 95 90.950 -5.839 11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.177 -4.422 12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 95 88.848 -4.682 10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.065 -6.158 10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.733 -6.705 12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.166 -3.825 12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.731 -4.716 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.716 -6.009 13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.424 -5.754 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 86.064 -4.410 15.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.965 -3.405 14.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 85.310 -3.653 14.447 1.00 0.00 H new ATOM 1727 N PHE A 106 93.569 -1.803 12.487 1.00 0.00 N ATOM 1728 CA PHE A 106 94.168 -2.758 11.525 1.00 0.00 C ATOM 1729 C PHE A 106 93.108 -3.464 10.683 1.00 0.00 C ATOM 1730 O PHE A 106 92.113 -3.956 11.174 1.00 0.00 O ATOM 1731 CB PHE A 106 94.956 -3.808 12.298 1.00 0.00 C ATOM 1732 CG PHE A 106 96.415 -3.467 12.221 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.986 -3.155 10.986 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.193 -3.452 13.380 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.339 -2.828 10.905 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.547 -3.124 13.304 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.124 -2.812 12.065 1.00 0.00 C ATOM 0 HA PHE A 106 94.814 -2.194 10.852 1.00 0.00 H new ATOM 0 HB2 PHE A 106 94.629 -3.837 13.337 1.00 0.00 H new ATOM 0 HB3 PHE A 106 94.777 -4.799 11.880 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.379 -3.167 10.093 1.00 0.00 H new ATOM 0 HD2 PHE A 106 96.748 -3.694 14.334 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.781 -2.587 9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.151 -3.110 14.200 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.172 -2.560 12.005 1.00 0.00 H new ATOM 1747 N ARG A 107 93.372 -3.557 9.414 1.00 0.00 N ATOM 1748 CA ARG A 107 92.467 -4.273 8.482 1.00 0.00 C ATOM 1749 C ARG A 107 93.364 -5.186 7.650 1.00 0.00 C ATOM 1750 O ARG A 107 93.854 -4.821 6.594 1.00 0.00 O ATOM 1751 CB ARG A 107 91.722 -3.279 7.584 1.00 0.00 C ATOM 1752 CG ARG A 107 90.217 -3.537 7.659 1.00 0.00 C ATOM 1753 CD ARG A 107 89.516 -2.304 8.234 1.00 0.00 C ATOM 1754 NE ARG A 107 88.057 -2.375 7.927 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.324 -1.294 7.958 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.862 -0.143 8.259 1.00 0.00 N ATOM 1757 NH2 ARG A 107 86.050 -1.365 7.687 1.00 0.00 N ATOM 0 H ARG A 107 94.200 -3.156 8.973 1.00 0.00 H new ATOM 0 HA ARG A 107 91.708 -4.842 9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.941 -2.258 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.066 -3.377 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.826 -3.761 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 107 90.017 -4.407 8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.670 -2.254 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.945 -1.397 7.808 1.00 0.00 H new ATOM 0 HE ARG A 107 87.630 -3.271 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.858 -0.085 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.286 0.699 8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.628 -2.263 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.476 -0.522 7.711 1.00 0.00 H new ATOM 1771 N VAL A 108 93.628 -6.357 8.159 1.00 0.00 N ATOM 1772 CA VAL A 108 94.529 -7.301 7.450 1.00 0.00 C ATOM 1773 C VAL A 108 93.824 -7.867 6.223 1.00 0.00 C ATOM 1774 O VAL A 108 92.799 -8.511 6.320 1.00 0.00 O ATOM 1775 CB VAL A 108 94.924 -8.420 8.410 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.172 -9.130 7.889 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.232 -7.809 9.774 1.00 0.00 C ATOM 0 H VAL A 108 93.254 -6.701 9.043 1.00 0.00 H new ATOM 0 HA VAL A 108 95.427 -6.781 7.116 1.00 0.00 H new ATOM 0 HB VAL A 108 94.108 -9.138 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.451 -9.928 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.966 -9.554 6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.991 -8.415 7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.516 -8.598 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.052 -7.098 9.677 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.348 -7.294 10.150 1.00 0.00 H new ATOM 1787 N TYR A 109 94.358 -7.612 5.062 1.00 0.00 N ATOM 1788 CA TYR A 109 93.712 -8.110 3.823 1.00 0.00 C ATOM 1789 C TYR A 109 94.409 -9.369 3.317 1.00 0.00 C ATOM 1790 O TYR A 109 95.456 -9.310 2.699 1.00 0.00 O ATOM 1791 CB TYR A 109 93.789 -7.028 2.747 1.00 0.00 C ATOM 1792 CG TYR A 109 92.625 -6.084 2.906 1.00 0.00 C ATOM 1793 CD1 TYR A 109 92.120 -5.807 4.179 1.00 0.00 C ATOM 1794 CD2 TYR A 109 92.052 -5.490 1.780 1.00 0.00 C ATOM 1795 CE1 TYR A 109 91.037 -4.933 4.328 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.969 -4.615 1.927 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.462 -4.336 3.201 1.00 0.00 C ATOM 1798 OH TYR A 109 89.395 -3.474 3.346 1.00 0.00 O ATOM 0 H TYR A 109 95.216 -7.079 4.920 1.00 0.00 H new ATOM 0 HA TYR A 109 92.672 -8.351 4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.729 -6.482 2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.771 -7.482 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.566 -6.268 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.444 -5.705 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.646 -4.720 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.525 -4.155 1.057 1.00 0.00 H new ATOM 0 HH TYR A 109 89.727 -2.566 3.504 1.00 0.00 H new ATOM 1808 N ARG A 110 93.817 -10.506 3.545 1.00 0.00 N ATOM 1809 CA ARG A 110 94.416 -11.766 3.047 1.00 0.00 C ATOM 1810 C ARG A 110 94.023 -11.910 1.578 1.00 0.00 C ATOM 1811 O ARG A 110 92.856 -11.877 1.238 1.00 0.00 O ATOM 1812 CB ARG A 110 93.870 -12.950 3.848 1.00 0.00 C ATOM 1813 CG ARG A 110 94.352 -14.257 3.219 1.00 0.00 C ATOM 1814 CD ARG A 110 93.640 -15.435 3.882 1.00 0.00 C ATOM 1815 NE ARG A 110 92.368 -15.720 3.160 1.00 0.00 N ATOM 1816 CZ ARG A 110 91.637 -16.747 3.501 1.00 0.00 C ATOM 1817 NH1 ARG A 110 92.018 -17.529 4.475 1.00 0.00 N ATOM 1818 NH2 ARG A 110 90.523 -16.993 2.866 1.00 0.00 N ATOM 0 H ARG A 110 92.941 -10.614 4.057 1.00 0.00 H new ATOM 0 HA ARG A 110 95.500 -11.747 3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 110 94.205 -12.887 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.780 -12.921 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 110 94.151 -14.253 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.431 -14.355 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.283 -16.315 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.433 -15.206 4.928 1.00 0.00 H new ATOM 0 HE ARG A 110 92.068 -15.112 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.888 -17.338 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 110 91.445 -18.330 4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 110 90.225 -16.383 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 110 89.951 -17.795 3.131 1.00 0.00 H new ATOM 1832 N MET A 111 94.975 -12.041 0.699 1.00 0.00 N ATOM 1833 CA MET A 111 94.624 -12.156 -0.743 1.00 0.00 C ATOM 1834 C MET A 111 94.720 -13.611 -1.197 1.00 0.00 C ATOM 1835 O MET A 111 95.566 -14.361 -0.750 1.00 0.00 O ATOM 1836 CB MET A 111 95.579 -11.293 -1.569 1.00 0.00 C ATOM 1837 CG MET A 111 95.239 -9.818 -1.356 1.00 0.00 C ATOM 1838 SD MET A 111 95.107 -8.992 -2.961 1.00 0.00 S ATOM 1839 CE MET A 111 96.879 -8.922 -3.321 1.00 0.00 C ATOM 0 H MET A 111 95.972 -12.073 0.913 1.00 0.00 H new ATOM 0 HA MET A 111 93.600 -11.811 -0.889 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.610 -11.487 -1.274 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.497 -11.548 -2.625 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.301 -9.725 -0.809 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.009 -9.340 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 111 97.029 -8.572 -4.342 1.00 0.00 H new ATOM 0 HE2 MET A 111 97.364 -8.236 -2.627 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.312 -9.916 -3.211 1.00 0.00 H new ATOM 1849 N LEU A 112 93.856 -14.012 -2.087 1.00 0.00 N ATOM 1850 CA LEU A 112 93.885 -15.418 -2.581 1.00 0.00 C ATOM 1851 C LEU A 112 95.116 -15.618 -3.470 1.00 0.00 C ATOM 1852 O LEU A 112 95.579 -14.688 -4.102 1.00 0.00 O ATOM 1853 CB LEU A 112 92.616 -15.698 -3.390 1.00 0.00 C ATOM 1854 CG LEU A 112 91.387 -15.342 -2.551 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.117 -15.704 -3.323 1.00 0.00 C ATOM 1856 CD2 LEU A 112 91.426 -16.126 -1.239 1.00 0.00 C ATOM 0 H LEU A 112 93.128 -13.425 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 112 93.934 -16.103 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.623 -15.114 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.580 -16.748 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 112 91.389 -14.273 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.242 -15.450 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.090 -15.147 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.113 -16.773 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 112 90.552 -15.875 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.424 -17.195 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.331 -15.868 -0.688 1.00 0.00 H new ATOM 1868 N PRO A 113 95.609 -16.830 -3.492 1.00 0.00 N ATOM 1869 CA PRO A 113 96.790 -17.192 -4.293 1.00 0.00 C ATOM 1870 C PRO A 113 96.415 -17.347 -5.768 1.00 0.00 C ATOM 1871 O PRO A 113 95.237 -17.261 -6.072 1.00 0.00 O ATOM 1872 CB PRO A 113 97.234 -18.528 -3.700 1.00 0.00 C ATOM 1873 CG PRO A 113 95.995 -19.123 -3.000 1.00 0.00 C ATOM 1874 CD PRO A 113 95.036 -17.950 -2.723 1.00 0.00 C ATOM 1875 OXT PRO A 113 97.313 -17.551 -6.569 1.00 0.00 O ATOM 0 HA PRO A 113 97.574 -16.436 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.599 -19.197 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.051 -18.387 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.517 -19.873 -3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 113 96.277 -19.620 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.021 -18.179 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 113 94.985 -17.719 -1.659 1.00 0.00 H new