USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 632 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 Single : A 9 MET CE :methyl -142:sc= 0 (180deg=-0.0805) USER MOD Single : A 10 HIS : no HD1:sc=-0.00842 K(o=-0.0084,f=-0.53) USER MOD Single : A 11 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.4) USER MOD Single : A 13 SER OG : rot 91:sc= 0.198 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 21 THR OG1 : rot 75:sc= 0.263 USER MOD Single : A 24 MET CE :methyl 147:sc= -0.123 (180deg=-0.449) USER MOD Single : A 27 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.88) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 36 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -136:sc= 0 (180deg=-0.0246) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.1) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0273) USER MOD Single : A 46 SER OG : rot -84:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 1.12 (180deg=1.1) USER MOD Single : A 55 SER OG : rot -42:sc= 0.67 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 21:sc= 0.977 USER MOD Single : A 62 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.52 (180deg=-0.82) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 155:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 7 14.625 5.607 13.242 1.00 0.00 N ATOM 94 CA ILE A 7 14.298 4.422 12.452 1.00 0.00 C ATOM 95 C ILE A 7 14.595 4.655 10.948 1.00 0.00 C ATOM 96 O ILE A 7 14.034 5.590 10.357 1.00 0.00 O ATOM 97 CB ILE A 7 12.843 4.025 12.814 1.00 0.00 C ATOM 98 CG1 ILE A 7 12.557 2.530 12.618 1.00 0.00 C ATOM 99 CG2 ILE A 7 11.751 4.911 12.200 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.485 2.060 11.170 1.00 0.00 C ATOM 0 HA ILE A 7 14.932 3.567 12.689 1.00 0.00 H new ATOM 0 HB ILE A 7 12.787 4.223 13.884 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.333 1.960 13.129 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.612 2.292 13.107 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.771 4.551 12.513 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.884 5.939 12.537 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.821 4.874 11.113 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.279 0.990 11.145 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.689 2.595 10.653 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.436 2.258 10.675 1.00 0.00 H new ATOM 112 N PRO A 8 15.509 3.868 10.333 1.00 0.00 N ATOM 113 CA PRO A 8 16.038 4.140 8.997 1.00 0.00 C ATOM 114 C PRO A 8 14.985 4.206 7.894 1.00 0.00 C ATOM 115 O PRO A 8 14.153 3.309 7.750 1.00 0.00 O ATOM 116 CB PRO A 8 17.050 3.036 8.699 1.00 0.00 C ATOM 117 CG PRO A 8 17.530 2.618 10.080 1.00 0.00 C ATOM 118 CD PRO A 8 16.300 2.809 10.954 1.00 0.00 C ATOM 0 HA PRO A 8 16.485 5.134 9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.592 2.204 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.871 3.399 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.873 1.583 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.363 3.233 10.419 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.726 1.885 11.022 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.585 3.083 11.970 1.00 0.00 H new ATOM 126 N MET A 9 15.098 5.205 7.019 1.00 0.00 N ATOM 127 CA MET A 9 14.264 5.298 5.816 1.00 0.00 C ATOM 128 C MET A 9 14.536 4.168 4.808 1.00 0.00 C ATOM 129 O MET A 9 13.649 3.861 4.014 1.00 0.00 O ATOM 130 CB MET A 9 14.395 6.689 5.183 1.00 0.00 C ATOM 131 CG MET A 9 13.668 7.730 6.048 1.00 0.00 C ATOM 132 SD MET A 9 13.840 9.441 5.487 1.00 0.00 S ATOM 133 CE MET A 9 15.554 9.734 5.996 1.00 0.00 C ATOM 0 H MET A 9 15.765 5.970 7.121 1.00 0.00 H new ATOM 0 HA MET A 9 13.228 5.162 6.125 1.00 0.00 H new ATOM 0 HB2 MET A 9 15.447 6.956 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.974 6.681 4.178 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.608 7.478 6.079 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.043 7.658 7.069 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.653 10.753 6.371 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.826 9.029 6.782 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.216 9.597 5.141 1.00 0.00 H new ATOM 143 N HIS A 10 15.692 3.489 4.849 1.00 0.00 N ATOM 144 CA HIS A 10 15.859 2.227 4.109 1.00 0.00 C ATOM 145 C HIS A 10 14.990 1.083 4.672 1.00 0.00 C ATOM 146 O HIS A 10 14.463 0.296 3.883 1.00 0.00 O ATOM 147 CB HIS A 10 17.340 1.832 3.978 1.00 0.00 C ATOM 148 CG HIS A 10 18.045 1.377 5.235 1.00 0.00 C ATOM 149 ND1 HIS A 10 17.804 0.227 5.960 1.00 0.00 N ATOM 150 CD2 HIS A 10 19.162 1.952 5.775 1.00 0.00 C ATOM 151 CE1 HIS A 10 18.718 0.141 6.936 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.587 1.163 6.852 1.00 0.00 N ATOM 0 H HIS A 10 16.513 3.785 5.377 1.00 0.00 H new ATOM 0 HA HIS A 10 15.490 2.409 3.100 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.413 1.032 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.884 2.687 3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.636 2.859 5.430 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.752 -0.638 7.683 1.00 0.00 H new ATOM 0 HE2 HIS A 10 20.394 1.331 7.452 1.00 0.00 H new ATOM 160 N GLN A 11 14.772 1.018 5.996 1.00 0.00 N ATOM 161 CA GLN A 11 13.881 0.030 6.614 1.00 0.00 C ATOM 162 C GLN A 11 12.421 0.350 6.292 1.00 0.00 C ATOM 163 O GLN A 11 11.749 -0.505 5.712 1.00 0.00 O ATOM 164 CB GLN A 11 14.117 -0.048 8.138 1.00 0.00 C ATOM 165 CG GLN A 11 13.378 -1.217 8.822 1.00 0.00 C ATOM 166 CD GLN A 11 13.905 -2.613 8.478 1.00 0.00 C ATOM 167 OE1 GLN A 11 14.978 -2.803 7.917 1.00 0.00 O ATOM 168 NE2 GLN A 11 13.191 -3.658 8.823 1.00 0.00 N ATOM 0 H GLN A 11 15.210 1.651 6.666 1.00 0.00 H new ATOM 0 HA GLN A 11 14.110 -0.950 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.186 -0.146 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.797 0.889 8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.436 -1.080 9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.323 -1.167 8.551 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.294 -3.531 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.533 -4.598 8.623 1.00 0.00 H new ATOM 177 N ARG A 12 11.954 1.586 6.559 1.00 0.00 N ATOM 178 CA ARG A 12 10.567 1.986 6.259 1.00 0.00 C ATOM 179 C ARG A 12 10.208 1.696 4.807 1.00 0.00 C ATOM 180 O ARG A 12 9.210 1.033 4.554 1.00 0.00 O ATOM 181 CB ARG A 12 10.302 3.467 6.548 1.00 0.00 C ATOM 182 CG ARG A 12 10.682 3.922 7.964 1.00 0.00 C ATOM 183 CD ARG A 12 10.020 5.241 8.400 1.00 0.00 C ATOM 184 NE ARG A 12 9.607 6.101 7.273 1.00 0.00 N ATOM 185 CZ ARG A 12 9.704 7.408 7.127 1.00 0.00 C ATOM 186 NH1 ARG A 12 10.351 8.186 7.945 1.00 0.00 N ATOM 187 NH2 ARG A 12 9.128 7.951 6.100 1.00 0.00 N ATOM 0 H ARG A 12 12.518 2.323 6.982 1.00 0.00 H new ATOM 0 HA ARG A 12 9.939 1.390 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.855 4.069 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.243 3.671 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.408 3.139 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.765 4.036 8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.146 5.014 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.715 5.794 9.031 1.00 0.00 H new ATOM 0 HE ARG A 12 9.182 5.609 6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.823 7.791 8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.386 9.191 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.619 7.370 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.184 8.959 5.958 1.00 0.00 H new ATOM 201 N SER A 13 11.057 2.081 3.851 1.00 0.00 N ATOM 202 CA SER A 13 10.820 1.809 2.427 1.00 0.00 C ATOM 203 C SER A 13 10.784 0.314 2.076 1.00 0.00 C ATOM 204 O SER A 13 10.082 -0.050 1.131 1.00 0.00 O ATOM 205 CB SER A 13 11.842 2.536 1.558 1.00 0.00 C ATOM 206 OG SER A 13 11.670 3.934 1.705 1.00 0.00 O ATOM 0 H SER A 13 11.923 2.587 4.038 1.00 0.00 H new ATOM 0 HA SER A 13 9.822 2.194 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.853 2.250 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.717 2.250 0.514 1.00 0.00 H new ATOM 0 HG SER A 13 12.240 4.259 2.433 1.00 0.00 H new ATOM 212 N GLN A 14 11.468 -0.568 2.822 1.00 0.00 N ATOM 213 CA GLN A 14 11.332 -2.024 2.655 1.00 0.00 C ATOM 214 C GLN A 14 9.991 -2.547 3.211 1.00 0.00 C ATOM 215 O GLN A 14 9.418 -3.473 2.636 1.00 0.00 O ATOM 216 CB GLN A 14 12.540 -2.747 3.287 1.00 0.00 C ATOM 217 CG GLN A 14 12.706 -4.175 2.735 1.00 0.00 C ATOM 218 CD GLN A 14 13.827 -4.966 3.407 1.00 0.00 C ATOM 219 OE1 GLN A 14 14.887 -5.211 2.840 1.00 0.00 O ATOM 220 NE2 GLN A 14 13.627 -5.431 4.619 1.00 0.00 N ATOM 0 H GLN A 14 12.126 -0.295 3.552 1.00 0.00 H new ATOM 0 HA GLN A 14 11.325 -2.244 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.448 -2.175 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.413 -2.788 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.767 -4.715 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.903 -4.121 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.750 -5.235 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.348 -5.988 5.077 1.00 0.00 H new ATOM 229 N ASN A 15 9.447 -1.944 4.276 1.00 0.00 N ATOM 230 CA ASN A 15 8.102 -2.249 4.788 1.00 0.00 C ATOM 231 C ASN A 15 7.006 -1.718 3.838 1.00 0.00 C ATOM 232 O ASN A 15 6.117 -2.459 3.425 1.00 0.00 O ATOM 233 CB ASN A 15 7.935 -1.645 6.202 1.00 0.00 C ATOM 234 CG ASN A 15 9.024 -1.990 7.203 1.00 0.00 C ATOM 235 OD1 ASN A 15 9.702 -1.119 7.719 1.00 0.00 O ATOM 236 ND2 ASN A 15 9.201 -3.237 7.568 1.00 0.00 N ATOM 0 H ASN A 15 9.931 -1.224 4.812 1.00 0.00 H new ATOM 0 HA ASN A 15 7.991 -3.332 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.884 -0.560 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.978 -1.975 6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.899 -3.467 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.641 -3.977 7.145 1.00 0.00 H new ATOM 243 N VAL A 16 7.117 -0.454 3.419 1.00 0.00 N ATOM 244 CA VAL A 16 6.263 0.216 2.421 1.00 0.00 C ATOM 245 C VAL A 16 6.250 -0.550 1.096 1.00 0.00 C ATOM 246 O VAL A 16 5.207 -0.619 0.450 1.00 0.00 O ATOM 247 CB VAL A 16 6.790 1.645 2.189 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.072 2.365 1.052 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.628 2.530 3.428 1.00 0.00 C ATOM 0 H VAL A 16 7.841 0.166 3.783 1.00 0.00 H new ATOM 0 HA VAL A 16 5.242 0.247 2.801 1.00 0.00 H new ATOM 0 HB VAL A 16 7.843 1.505 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.486 3.366 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.207 1.807 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.009 2.437 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.014 3.527 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.572 2.598 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.183 2.096 4.260 1.00 0.00 H new ATOM 259 N ALA A 17 7.358 -1.184 0.699 1.00 0.00 N ATOM 260 CA ALA A 17 7.393 -1.990 -0.518 1.00 0.00 C ATOM 261 C ALA A 17 6.421 -3.195 -0.467 1.00 0.00 C ATOM 262 O ALA A 17 5.894 -3.606 -1.504 1.00 0.00 O ATOM 263 CB ALA A 17 8.834 -2.448 -0.777 1.00 0.00 C ATOM 0 H ALA A 17 8.242 -1.152 1.206 1.00 0.00 H new ATOM 0 HA ALA A 17 7.052 -1.368 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.867 -3.051 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.477 -1.576 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.184 -3.043 0.066 1.00 0.00 H new ATOM 269 N GLU A 18 6.143 -3.741 0.724 1.00 0.00 N ATOM 270 CA GLU A 18 5.232 -4.866 0.947 1.00 0.00 C ATOM 271 C GLU A 18 3.755 -4.447 0.822 1.00 0.00 C ATOM 272 O GLU A 18 2.958 -5.172 0.221 1.00 0.00 O ATOM 273 CB GLU A 18 5.552 -5.463 2.333 1.00 0.00 C ATOM 274 CG GLU A 18 4.937 -6.857 2.498 1.00 0.00 C ATOM 275 CD GLU A 18 5.576 -7.688 3.621 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.828 -7.754 3.703 1.00 0.00 O ATOM 277 OE2 GLU A 18 4.840 -8.383 4.361 1.00 0.00 O ATOM 0 H GLU A 18 6.562 -3.398 1.588 1.00 0.00 H new ATOM 0 HA GLU A 18 5.382 -5.622 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.632 -5.523 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.172 -4.802 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.871 -6.752 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.033 -7.400 1.558 1.00 0.00 H new ATOM 284 N LEU A 19 3.427 -3.243 1.313 1.00 0.00 N ATOM 285 CA LEU A 19 2.173 -2.515 1.063 1.00 0.00 C ATOM 286 C LEU A 19 2.011 -2.222 -0.440 1.00 0.00 C ATOM 287 O LEU A 19 0.951 -2.488 -1.006 1.00 0.00 O ATOM 288 CB LEU A 19 2.223 -1.226 1.908 1.00 0.00 C ATOM 289 CG LEU A 19 0.952 -0.351 1.854 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.459 -0.078 3.267 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.239 1.017 1.238 1.00 0.00 C ATOM 0 H LEU A 19 4.058 -2.725 1.924 1.00 0.00 H new ATOM 0 HA LEU A 19 1.304 -3.107 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.412 -1.499 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.071 -0.627 1.576 1.00 0.00 H new ATOM 0 HG LEU A 19 0.219 -0.893 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.438 0.540 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.228 -1.022 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.234 0.444 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.322 1.606 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.989 1.535 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.611 0.888 0.222 1.00 0.00 H new ATOM 303 N LEU A 20 3.068 -1.747 -1.110 1.00 0.00 N ATOM 304 CA LEU A 20 3.063 -1.438 -2.537 1.00 0.00 C ATOM 305 C LEU A 20 2.698 -2.645 -3.402 1.00 0.00 C ATOM 306 O LEU A 20 1.805 -2.526 -4.232 1.00 0.00 O ATOM 307 CB LEU A 20 4.428 -0.856 -2.965 1.00 0.00 C ATOM 308 CG LEU A 20 4.387 0.567 -3.531 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.415 0.694 -4.703 1.00 0.00 C ATOM 310 CD2 LEU A 20 3.993 1.572 -2.455 1.00 0.00 C ATOM 0 H LEU A 20 3.966 -1.565 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 20 2.286 -0.691 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.095 -0.867 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.866 -1.515 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 20 5.394 0.783 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.420 1.720 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.720 0.020 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.410 0.432 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.972 2.574 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.005 1.322 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.720 1.540 -1.643 1.00 0.00 H new ATOM 322 N THR A 21 3.310 -3.808 -3.176 1.00 0.00 N ATOM 323 CA THR A 21 2.976 -5.067 -3.875 1.00 0.00 C ATOM 324 C THR A 21 1.485 -5.419 -3.764 1.00 0.00 C ATOM 325 O THR A 21 0.894 -5.905 -4.731 1.00 0.00 O ATOM 326 CB THR A 21 3.795 -6.219 -3.257 1.00 0.00 C ATOM 327 OG1 THR A 21 5.182 -5.981 -3.339 1.00 0.00 O ATOM 328 CG2 THR A 21 3.577 -7.578 -3.915 1.00 0.00 C ATOM 0 H THR A 21 4.062 -3.912 -2.495 1.00 0.00 H new ATOM 0 HA THR A 21 3.214 -4.928 -4.930 1.00 0.00 H new ATOM 0 HB THR A 21 3.436 -6.248 -2.228 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.437 -5.303 -2.679 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.192 -8.327 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.527 -7.858 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.856 -7.522 -4.967 1.00 0.00 H new ATOM 336 N VAL A 22 0.852 -5.158 -2.614 1.00 0.00 N ATOM 337 CA VAL A 22 -0.584 -5.398 -2.387 1.00 0.00 C ATOM 338 C VAL A 22 -1.455 -4.362 -3.101 1.00 0.00 C ATOM 339 O VAL A 22 -2.431 -4.744 -3.742 1.00 0.00 O ATOM 340 CB VAL A 22 -0.866 -5.461 -0.869 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.349 -5.453 -0.502 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.262 -6.735 -0.266 1.00 0.00 C ATOM 0 H VAL A 22 1.328 -4.768 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.852 -6.360 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.411 -4.556 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.456 -5.500 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.811 -4.538 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.840 -6.316 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.469 -6.765 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.703 -7.609 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.816 -6.738 -0.427 1.00 0.00 H new ATOM 352 N LEU A 23 -1.089 -3.075 -3.065 1.00 0.00 N ATOM 353 CA LEU A 23 -1.801 -2.019 -3.800 1.00 0.00 C ATOM 354 C LEU A 23 -1.670 -2.174 -5.329 1.00 0.00 C ATOM 355 O LEU A 23 -2.635 -1.979 -6.068 1.00 0.00 O ATOM 356 CB LEU A 23 -1.294 -0.637 -3.348 1.00 0.00 C ATOM 357 CG LEU A 23 -1.523 -0.222 -1.890 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.107 1.236 -1.684 1.00 0.00 C ATOM 359 CD2 LEU A 23 -2.990 -0.378 -1.567 1.00 0.00 C ATOM 0 H LEU A 23 -0.292 -2.735 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.862 -2.112 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.222 -0.596 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.762 0.114 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.924 -0.853 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.274 1.519 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.050 1.350 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.700 1.879 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.168 -0.086 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.578 0.257 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.285 -1.418 -1.706 1.00 0.00 H new ATOM 371 N MET A 24 -0.498 -2.603 -5.796 1.00 0.00 N ATOM 372 CA MET A 24 -0.229 -3.010 -7.177 1.00 0.00 C ATOM 373 C MET A 24 -1.099 -4.202 -7.597 1.00 0.00 C ATOM 374 O MET A 24 -1.576 -4.246 -8.730 1.00 0.00 O ATOM 375 CB MET A 24 1.273 -3.330 -7.309 1.00 0.00 C ATOM 376 CG MET A 24 2.110 -2.050 -7.409 1.00 0.00 C ATOM 377 SD MET A 24 1.785 -1.029 -8.877 1.00 0.00 S ATOM 378 CE MET A 24 2.805 0.408 -8.454 1.00 0.00 C ATOM 0 H MET A 24 0.325 -2.680 -5.198 1.00 0.00 H new ATOM 0 HA MET A 24 -0.488 -2.194 -7.851 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.599 -3.914 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.439 -3.945 -8.193 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.931 -1.447 -6.519 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.165 -2.323 -7.402 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.214 0.845 -9.365 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.194 1.149 -7.939 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.621 0.096 -7.803 1.00 0.00 H new ATOM 388 N ASP A 25 -1.414 -5.114 -6.672 1.00 0.00 N ATOM 389 CA ASP A 25 -2.328 -6.222 -6.949 1.00 0.00 C ATOM 390 C ASP A 25 -3.756 -5.732 -7.264 1.00 0.00 C ATOM 391 O ASP A 25 -4.409 -6.274 -8.154 1.00 0.00 O ATOM 392 CB ASP A 25 -2.305 -7.239 -5.795 1.00 0.00 C ATOM 393 CG ASP A 25 -2.287 -8.677 -6.315 1.00 0.00 C ATOM 394 OD1 ASP A 25 -1.247 -9.106 -6.875 1.00 0.00 O ATOM 395 OD2 ASP A 25 -3.279 -9.413 -6.148 1.00 0.00 O ATOM 0 H ASP A 25 -1.046 -5.105 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.978 -6.729 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.427 -7.065 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.179 -7.091 -5.161 1.00 0.00 H new ATOM 400 N ILE A 26 -4.215 -4.645 -6.625 1.00 0.00 N ATOM 401 CA ILE A 26 -5.539 -4.046 -6.883 1.00 0.00 C ATOM 402 C ILE A 26 -5.606 -3.509 -8.315 1.00 0.00 C ATOM 403 O ILE A 26 -6.625 -3.657 -8.988 1.00 0.00 O ATOM 404 CB ILE A 26 -5.873 -2.901 -5.893 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.486 -3.141 -4.426 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.357 -2.503 -6.009 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.165 -4.341 -3.795 1.00 0.00 C ATOM 0 H ILE A 26 -3.678 -4.153 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.276 -4.836 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.231 -2.077 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.406 -3.274 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.732 -2.251 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.574 -1.698 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.565 -2.165 -7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.984 -3.364 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.839 -4.441 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.246 -4.204 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.899 -5.242 -4.348 1.00 0.00 H new ATOM 419 N ASN A 27 -4.499 -2.950 -8.810 1.00 0.00 N ATOM 420 CA ASN A 27 -4.404 -2.385 -10.160 1.00 0.00 C ATOM 421 C ASN A 27 -4.645 -3.456 -11.250 1.00 0.00 C ATOM 422 O ASN A 27 -5.334 -3.191 -12.239 1.00 0.00 O ATOM 423 CB ASN A 27 -3.031 -1.699 -10.285 1.00 0.00 C ATOM 424 CG ASN A 27 -2.914 -0.795 -11.497 1.00 0.00 C ATOM 425 OD1 ASN A 27 -2.428 -1.187 -12.543 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.330 0.447 -11.380 1.00 0.00 N ATOM 0 H ASN A 27 -3.632 -2.876 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.189 -1.645 -10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.843 -1.113 -9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.255 -2.463 -10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.247 1.089 -12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.736 0.768 -10.501 1.00 0.00 H new ATOM 433 N LYS A 28 -4.152 -4.689 -11.042 1.00 0.00 N ATOM 434 CA LYS A 28 -4.401 -5.861 -11.892 1.00 0.00 C ATOM 435 C LYS A 28 -5.785 -6.503 -11.668 1.00 0.00 C ATOM 436 O LYS A 28 -6.364 -7.058 -12.606 1.00 0.00 O ATOM 437 CB LYS A 28 -3.280 -6.881 -11.636 1.00 0.00 C ATOM 438 CG LYS A 28 -1.832 -6.370 -11.778 1.00 0.00 C ATOM 439 CD LYS A 28 -1.435 -5.720 -13.110 1.00 0.00 C ATOM 440 CE LYS A 28 -1.587 -6.680 -14.295 1.00 0.00 C ATOM 441 NZ LYS A 28 -0.720 -6.284 -15.427 1.00 0.00 N ATOM 0 H LYS A 28 -3.548 -4.902 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.402 -5.532 -12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.404 -7.276 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.415 -7.715 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.652 -5.645 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.160 -7.210 -11.601 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.052 -4.838 -13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.401 -5.380 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.335 -7.692 -13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.627 -6.697 -14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.847 -6.954 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.977 -5.327 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.274 -6.292 -15.122 1.00 0.00 H new ATOM 455 N ILE A 29 -6.335 -6.432 -10.452 1.00 0.00 N ATOM 456 CA ILE A 29 -7.665 -6.976 -10.102 1.00 0.00 C ATOM 457 C ILE A 29 -8.812 -6.101 -10.642 1.00 0.00 C ATOM 458 O ILE A 29 -9.807 -6.640 -11.123 1.00 0.00 O ATOM 459 CB ILE A 29 -7.768 -7.183 -8.567 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.874 -8.358 -8.103 1.00 0.00 C ATOM 461 CG2 ILE A 29 -9.215 -7.455 -8.110 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.664 -8.418 -6.581 1.00 0.00 C ATOM 0 H ILE A 29 -5.865 -5.988 -9.663 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.772 -7.946 -10.587 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.427 -6.253 -8.112 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.321 -9.295 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.903 -8.277 -8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.235 -7.593 -7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.847 -6.609 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.587 -8.356 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.027 -9.268 -6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.188 -7.498 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.628 -8.531 -6.085 1.00 0.00 H new ATOM 474 N ASN A 30 -8.693 -4.771 -10.562 1.00 0.00 N ATOM 475 CA ASN A 30 -9.786 -3.809 -10.790 1.00 0.00 C ATOM 476 C ASN A 30 -9.595 -2.933 -12.054 1.00 0.00 C ATOM 477 O ASN A 30 -10.251 -1.901 -12.209 1.00 0.00 O ATOM 478 CB ASN A 30 -9.970 -2.991 -9.491 1.00 0.00 C ATOM 479 CG ASN A 30 -11.315 -2.289 -9.364 1.00 0.00 C ATOM 480 OD1 ASN A 30 -12.275 -2.563 -10.074 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.443 -1.368 -8.440 1.00 0.00 N ATOM 0 H ASN A 30 -7.809 -4.317 -10.330 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.704 -4.353 -11.011 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.841 -3.657 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.179 -2.243 -9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.335 -0.888 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.651 -1.131 -7.843 1.00 0.00 H new ATOM 488 N GLY A 31 -8.669 -3.303 -12.947 1.00 0.00 N ATOM 489 CA GLY A 31 -8.452 -2.618 -14.231 1.00 0.00 C ATOM 490 C GLY A 31 -7.855 -1.211 -14.134 1.00 0.00 C ATOM 491 O GLY A 31 -8.012 -0.414 -15.063 1.00 0.00 O ATOM 0 H GLY A 31 -8.042 -4.094 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.792 -3.232 -14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.406 -2.554 -14.755 1.00 0.00 H new ATOM 495 N GLY A 32 -7.190 -0.885 -13.023 1.00 0.00 N ATOM 496 CA GLY A 32 -6.538 0.403 -12.806 1.00 0.00 C ATOM 497 C GLY A 32 -5.426 0.677 -13.818 1.00 0.00 C ATOM 498 O GLY A 32 -4.693 -0.224 -14.222 1.00 0.00 O ATOM 0 H GLY A 32 -7.089 -1.524 -12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.282 1.197 -12.866 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.122 0.430 -11.799 1.00 0.00 H new ATOM 502 N ASP A 33 -5.309 1.933 -14.228 1.00 0.00 N ATOM 503 CA ASP A 33 -4.275 2.418 -15.153 1.00 0.00 C ATOM 504 C ASP A 33 -2.947 2.789 -14.453 1.00 0.00 C ATOM 505 O ASP A 33 -2.850 2.776 -13.220 1.00 0.00 O ATOM 506 CB ASP A 33 -4.844 3.580 -15.985 1.00 0.00 C ATOM 507 CG ASP A 33 -4.687 4.930 -15.289 1.00 0.00 C ATOM 508 OD1 ASP A 33 -5.306 5.149 -14.218 1.00 0.00 O ATOM 509 OD2 ASP A 33 -3.881 5.749 -15.788 1.00 0.00 O ATOM 0 H ASP A 33 -5.945 2.669 -13.922 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.010 1.598 -15.820 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.340 3.612 -16.951 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.900 3.398 -16.183 1.00 0.00 H new ATOM 514 N SER A 34 -1.922 3.179 -15.223 1.00 0.00 N ATOM 515 CA SER A 34 -0.619 3.594 -14.671 1.00 0.00 C ATOM 516 C SER A 34 -0.693 4.848 -13.781 1.00 0.00 C ATOM 517 O SER A 34 0.065 4.956 -12.817 1.00 0.00 O ATOM 518 CB SER A 34 0.432 3.757 -15.780 1.00 0.00 C ATOM 519 OG SER A 34 0.296 4.971 -16.506 1.00 0.00 O ATOM 0 H SER A 34 -1.969 3.217 -16.241 1.00 0.00 H new ATOM 0 HA SER A 34 -0.305 2.783 -14.014 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.427 3.715 -15.337 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.355 2.917 -16.471 1.00 0.00 H new ATOM 0 HG SER A 34 0.991 5.020 -17.195 1.00 0.00 H new ATOM 525 N THR A 35 -1.649 5.754 -14.021 1.00 0.00 N ATOM 526 CA THR A 35 -1.923 6.928 -13.167 1.00 0.00 C ATOM 527 C THR A 35 -2.521 6.507 -11.825 1.00 0.00 C ATOM 528 O THR A 35 -2.120 7.015 -10.779 1.00 0.00 O ATOM 529 CB THR A 35 -2.903 7.908 -13.837 1.00 0.00 C ATOM 530 OG1 THR A 35 -2.638 8.041 -15.214 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.839 9.301 -13.224 1.00 0.00 C ATOM 0 H THR A 35 -2.269 5.695 -14.829 1.00 0.00 H new ATOM 0 HA THR A 35 -0.964 7.422 -13.013 1.00 0.00 H new ATOM 0 HB THR A 35 -3.894 7.482 -13.677 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.054 7.299 -15.700 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.549 9.955 -13.731 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.091 9.244 -12.165 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.832 9.702 -13.337 1.00 0.00 H new ATOM 539 N THR A 36 -3.425 5.519 -11.827 1.00 0.00 N ATOM 540 CA THR A 36 -3.938 4.889 -10.609 1.00 0.00 C ATOM 541 C THR A 36 -2.798 4.247 -9.811 1.00 0.00 C ATOM 542 O THR A 36 -2.733 4.415 -8.596 1.00 0.00 O ATOM 543 CB THR A 36 -5.009 3.847 -10.972 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.052 4.423 -11.729 1.00 0.00 O ATOM 545 CG2 THR A 36 -5.663 3.255 -9.736 1.00 0.00 C ATOM 0 H THR A 36 -3.823 5.133 -12.683 1.00 0.00 H new ATOM 0 HA THR A 36 -4.395 5.654 -9.981 1.00 0.00 H new ATOM 0 HB THR A 36 -4.486 3.078 -11.540 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.796 4.445 -12.675 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.413 2.524 -10.036 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.906 2.767 -9.122 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.140 4.049 -9.161 1.00 0.00 H new ATOM 553 N ALA A 37 -1.844 3.584 -10.475 1.00 0.00 N ATOM 554 CA ALA A 37 -0.664 3.011 -9.823 1.00 0.00 C ATOM 555 C ALA A 37 0.304 4.091 -9.283 1.00 0.00 C ATOM 556 O ALA A 37 0.851 3.937 -8.190 1.00 0.00 O ATOM 557 CB ALA A 37 0.009 2.051 -10.807 1.00 0.00 C ATOM 0 H ALA A 37 -1.870 3.430 -11.483 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.975 2.457 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.891 1.612 -10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.689 1.259 -11.078 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.305 2.597 -11.703 1.00 0.00 H new ATOM 563 N GLU A 38 0.446 5.234 -9.964 1.00 0.00 N ATOM 564 CA GLU A 38 1.162 6.394 -9.416 1.00 0.00 C ATOM 565 C GLU A 38 0.485 6.966 -8.161 1.00 0.00 C ATOM 566 O GLU A 38 1.186 7.340 -7.218 1.00 0.00 O ATOM 567 CB GLU A 38 1.366 7.486 -10.466 1.00 0.00 C ATOM 568 CG GLU A 38 2.420 7.182 -11.539 1.00 0.00 C ATOM 569 CD GLU A 38 3.760 6.733 -10.949 1.00 0.00 C ATOM 570 OE1 GLU A 38 4.395 7.519 -10.203 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.171 5.580 -11.220 1.00 0.00 O ATOM 0 H GLU A 38 0.072 5.382 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 38 2.143 6.027 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.413 7.673 -10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.647 8.408 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.042 6.404 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.577 8.072 -12.149 1.00 0.00 H new ATOM 578 N LYS A 39 -0.853 6.977 -8.096 1.00 0.00 N ATOM 579 CA LYS A 39 -1.619 7.309 -6.889 1.00 0.00 C ATOM 580 C LYS A 39 -1.555 6.250 -5.788 1.00 0.00 C ATOM 581 O LYS A 39 -1.574 6.638 -4.623 1.00 0.00 O ATOM 582 CB LYS A 39 -3.056 7.671 -7.288 1.00 0.00 C ATOM 583 CG LYS A 39 -3.317 9.182 -7.249 1.00 0.00 C ATOM 584 CD LYS A 39 -2.307 10.080 -7.985 1.00 0.00 C ATOM 585 CE LYS A 39 -2.714 11.541 -7.774 1.00 0.00 C ATOM 586 NZ LYS A 39 -1.764 12.484 -8.404 1.00 0.00 N ATOM 0 H LYS A 39 -1.444 6.751 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.146 8.176 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.255 7.298 -8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.753 7.168 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.305 9.367 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.351 9.494 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.300 9.908 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.291 9.841 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.710 11.702 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.774 11.749 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.080 13.460 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.818 12.350 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.725 12.305 -9.428 1.00 0.00 H new ATOM 600 N MET A 40 -1.387 4.962 -6.101 1.00 0.00 N ATOM 601 CA MET A 40 -1.069 3.938 -5.089 1.00 0.00 C ATOM 602 C MET A 40 0.276 4.219 -4.405 1.00 0.00 C ATOM 603 O MET A 40 0.353 4.187 -3.176 1.00 0.00 O ATOM 604 CB MET A 40 -1.064 2.525 -5.690 1.00 0.00 C ATOM 605 CG MET A 40 -2.448 2.029 -6.119 1.00 0.00 C ATOM 606 SD MET A 40 -3.701 1.989 -4.807 1.00 0.00 S ATOM 607 CE MET A 40 -5.014 1.110 -5.694 1.00 0.00 C ATOM 0 H MET A 40 -1.465 4.598 -7.050 1.00 0.00 H new ATOM 0 HA MET A 40 -1.858 3.989 -4.338 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.400 2.510 -6.554 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.651 1.831 -4.958 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.810 2.667 -6.925 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.344 1.025 -6.530 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.970 1.597 -5.504 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.805 1.126 -6.764 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.058 0.077 -5.349 1.00 0.00 H new ATOM 617 N LYS A 41 1.310 4.602 -5.171 1.00 0.00 N ATOM 618 CA LYS A 41 2.599 5.065 -4.611 1.00 0.00 C ATOM 619 C LYS A 41 2.413 6.263 -3.667 1.00 0.00 C ATOM 620 O LYS A 41 2.965 6.280 -2.571 1.00 0.00 O ATOM 621 CB LYS A 41 3.611 5.366 -5.717 1.00 0.00 C ATOM 622 CG LYS A 41 3.985 4.140 -6.566 1.00 0.00 C ATOM 623 CD LYS A 41 4.777 4.528 -7.821 1.00 0.00 C ATOM 624 CE LYS A 41 4.935 3.292 -8.712 1.00 0.00 C ATOM 625 NZ LYS A 41 5.726 3.575 -9.929 1.00 0.00 N ATOM 0 H LYS A 41 1.281 4.601 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 41 3.005 4.250 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.203 6.138 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.516 5.775 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.576 3.449 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.078 3.612 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.260 5.319 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.756 4.919 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.418 2.497 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.949 2.925 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.820 2.706 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.244 4.303 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.670 3.916 -9.658 1.00 0.00 H new ATOM 639 N VAL A 42 1.560 7.223 -4.039 1.00 0.00 N ATOM 640 CA VAL A 42 1.190 8.370 -3.184 1.00 0.00 C ATOM 641 C VAL A 42 0.331 7.959 -1.972 1.00 0.00 C ATOM 642 O VAL A 42 0.458 8.562 -0.909 1.00 0.00 O ATOM 643 CB VAL A 42 0.519 9.476 -4.027 1.00 0.00 C ATOM 644 CG1 VAL A 42 0.008 10.655 -3.194 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.506 10.056 -5.050 1.00 0.00 C ATOM 0 H VAL A 42 1.100 7.231 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 42 2.111 8.775 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.327 8.985 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.451 11.393 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.731 10.300 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.842 11.112 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.011 10.833 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.362 10.483 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.846 9.264 -5.717 1.00 0.00 H new ATOM 655 N HIS A 43 -0.488 6.904 -2.057 1.00 0.00 N ATOM 656 CA HIS A 43 -1.306 6.409 -0.941 1.00 0.00 C ATOM 657 C HIS A 43 -0.407 5.786 0.135 1.00 0.00 C ATOM 658 O HIS A 43 -0.632 5.986 1.326 1.00 0.00 O ATOM 659 CB HIS A 43 -2.363 5.415 -1.463 1.00 0.00 C ATOM 660 CG HIS A 43 -3.573 5.213 -0.572 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.770 5.692 0.706 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.734 4.581 -0.937 1.00 0.00 C ATOM 663 CE1 HIS A 43 -5.018 5.375 1.085 1.00 0.00 C ATOM 664 NE2 HIS A 43 -5.654 4.684 0.119 1.00 0.00 N ATOM 0 H HIS A 43 -0.603 6.362 -2.914 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.838 7.240 -0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.707 5.758 -2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.882 4.449 -1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.911 4.086 -1.880 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.454 5.639 2.037 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.604 4.314 0.148 1.00 0.00 H new ATOM 672 N ALA A 44 0.672 5.122 -0.288 1.00 0.00 N ATOM 673 CA ALA A 44 1.715 4.609 0.591 1.00 0.00 C ATOM 674 C ALA A 44 2.568 5.737 1.217 1.00 0.00 C ATOM 675 O ALA A 44 2.753 5.782 2.433 1.00 0.00 O ATOM 676 CB ALA A 44 2.569 3.653 -0.240 1.00 0.00 C ATOM 0 H ALA A 44 0.844 4.924 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 44 1.265 4.090 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.366 3.244 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.946 2.840 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.005 4.192 -1.081 1.00 0.00 H new ATOM 682 N LYS A 45 3.042 6.697 0.405 1.00 0.00 N ATOM 683 CA LYS A 45 3.876 7.836 0.855 1.00 0.00 C ATOM 684 C LYS A 45 3.141 8.809 1.785 1.00 0.00 C ATOM 685 O LYS A 45 3.758 9.383 2.685 1.00 0.00 O ATOM 686 CB LYS A 45 4.432 8.576 -0.374 1.00 0.00 C ATOM 687 CG LYS A 45 5.534 7.760 -1.063 1.00 0.00 C ATOM 688 CD LYS A 45 6.016 8.415 -2.365 1.00 0.00 C ATOM 689 CE LYS A 45 7.013 7.521 -3.117 1.00 0.00 C ATOM 690 NZ LYS A 45 8.236 7.247 -2.329 1.00 0.00 N ATOM 0 H LYS A 45 2.857 6.708 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 45 4.691 7.421 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.625 8.771 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.830 9.544 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.378 7.646 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.161 6.759 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.159 8.624 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.485 9.372 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.530 6.578 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.290 8.001 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.904 6.697 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.678 8.146 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.986 6.705 -1.477 1.00 0.00 H new ATOM 704 N SER A 46 1.827 8.953 1.606 1.00 0.00 N ATOM 705 CA SER A 46 0.933 9.670 2.521 1.00 0.00 C ATOM 706 C SER A 46 0.559 8.851 3.764 1.00 0.00 C ATOM 707 O SER A 46 0.251 9.455 4.793 1.00 0.00 O ATOM 708 CB SER A 46 -0.317 10.165 1.791 1.00 0.00 C ATOM 709 OG SER A 46 -1.053 9.075 1.281 1.00 0.00 O ATOM 0 H SER A 46 1.340 8.564 0.798 1.00 0.00 H new ATOM 0 HA SER A 46 1.491 10.534 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.939 10.744 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.031 10.831 0.977 1.00 0.00 H new ATOM 0 HG SER A 46 -0.679 8.804 0.417 1.00 0.00 H new ATOM 715 N PHE A 47 0.601 7.509 3.710 1.00 0.00 N ATOM 716 CA PHE A 47 0.490 6.665 4.906 1.00 0.00 C ATOM 717 C PHE A 47 1.717 6.806 5.823 1.00 0.00 C ATOM 718 O PHE A 47 1.544 7.034 7.017 1.00 0.00 O ATOM 719 CB PHE A 47 0.233 5.189 4.574 1.00 0.00 C ATOM 720 CG PHE A 47 -0.183 4.416 5.814 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.428 4.682 6.420 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.706 3.509 6.421 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.775 4.054 7.631 1.00 0.00 C ATOM 724 CE2 PHE A 47 0.355 2.875 7.626 1.00 0.00 C ATOM 725 CZ PHE A 47 -0.882 3.152 8.235 1.00 0.00 C ATOM 0 H PHE A 47 0.712 6.985 2.842 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.384 7.031 5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.546 5.114 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.134 4.746 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.118 5.370 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.660 3.300 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.727 4.265 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.037 2.174 8.085 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.146 2.672 9.166 1.00 0.00 H new ATOM 735 N GLU A 48 2.940 6.774 5.270 1.00 0.00 N ATOM 736 CA GLU A 48 4.182 7.080 6.014 1.00 0.00 C ATOM 737 C GLU A 48 4.056 8.438 6.716 1.00 0.00 C ATOM 738 O GLU A 48 4.221 8.555 7.928 1.00 0.00 O ATOM 739 CB GLU A 48 5.369 7.204 5.033 1.00 0.00 C ATOM 740 CG GLU A 48 5.884 5.901 4.425 1.00 0.00 C ATOM 741 CD GLU A 48 7.101 5.382 5.209 1.00 0.00 C ATOM 742 OE1 GLU A 48 6.949 4.788 6.299 1.00 0.00 O ATOM 743 OE2 GLU A 48 8.243 5.687 4.779 1.00 0.00 O ATOM 0 H GLU A 48 3.101 6.535 4.291 1.00 0.00 H new ATOM 0 HA GLU A 48 4.344 6.277 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.073 7.867 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.195 7.688 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.093 5.152 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.158 6.063 3.383 1.00 0.00 H new ATOM 750 N ALA A 49 3.673 9.453 5.941 1.00 0.00 N ATOM 751 CA ALA A 49 3.534 10.831 6.422 1.00 0.00 C ATOM 752 C ALA A 49 2.450 11.011 7.501 1.00 0.00 C ATOM 753 O ALA A 49 2.607 11.833 8.407 1.00 0.00 O ATOM 754 CB ALA A 49 3.233 11.737 5.225 1.00 0.00 C ATOM 0 H ALA A 49 3.448 9.342 4.952 1.00 0.00 H new ATOM 0 HA ALA A 49 4.475 11.101 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.127 12.767 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.051 11.675 4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.307 11.415 4.749 1.00 0.00 H new ATOM 760 N ALA A 50 1.360 10.244 7.423 1.00 0.00 N ATOM 761 CA ALA A 50 0.305 10.237 8.430 1.00 0.00 C ATOM 762 C ALA A 50 0.766 9.539 9.714 1.00 0.00 C ATOM 763 O ALA A 50 0.543 10.053 10.814 1.00 0.00 O ATOM 764 CB ALA A 50 -0.932 9.549 7.839 1.00 0.00 C ATOM 0 H ALA A 50 1.186 9.604 6.648 1.00 0.00 H new ATOM 0 HA ALA A 50 0.057 11.263 8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.730 9.536 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.265 10.095 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.680 8.526 7.559 1.00 0.00 H new ATOM 770 N LEU A 51 1.424 8.383 9.582 1.00 0.00 N ATOM 771 CA LEU A 51 1.859 7.544 10.697 1.00 0.00 C ATOM 772 C LEU A 51 3.072 8.133 11.438 1.00 0.00 C ATOM 773 O LEU A 51 3.207 7.935 12.643 1.00 0.00 O ATOM 774 CB LEU A 51 2.131 6.131 10.146 1.00 0.00 C ATOM 775 CG LEU A 51 2.252 5.046 11.230 1.00 0.00 C ATOM 776 CD1 LEU A 51 0.925 4.777 11.941 1.00 0.00 C ATOM 777 CD2 LEU A 51 2.721 3.737 10.598 1.00 0.00 C ATOM 0 H LEU A 51 1.674 7.997 8.672 1.00 0.00 H new ATOM 0 HA LEU A 51 1.072 7.497 11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.327 5.858 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.052 6.151 9.563 1.00 0.00 H new ATOM 0 HG LEU A 51 2.970 5.414 11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.067 4.003 12.696 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.577 5.692 12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.184 4.444 11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.806 2.971 11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.000 3.417 9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.693 3.888 10.128 1.00 0.00 H new ATOM 789 N PHE A 52 3.921 8.912 10.759 1.00 0.00 N ATOM 790 CA PHE A 52 5.102 9.558 11.347 1.00 0.00 C ATOM 791 C PHE A 52 4.734 10.529 12.487 1.00 0.00 C ATOM 792 O PHE A 52 5.452 10.618 13.482 1.00 0.00 O ATOM 793 CB PHE A 52 5.889 10.244 10.219 1.00 0.00 C ATOM 794 CG PHE A 52 7.261 10.756 10.610 1.00 0.00 C ATOM 795 CD1 PHE A 52 7.394 12.024 11.206 1.00 0.00 C ATOM 796 CD2 PHE A 52 8.411 9.982 10.346 1.00 0.00 C ATOM 797 CE1 PHE A 52 8.667 12.521 11.534 1.00 0.00 C ATOM 798 CE2 PHE A 52 9.685 10.495 10.657 1.00 0.00 C ATOM 799 CZ PHE A 52 9.815 11.767 11.240 1.00 0.00 C ATOM 0 H PHE A 52 3.805 9.116 9.766 1.00 0.00 H new ATOM 0 HA PHE A 52 5.732 8.802 11.816 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.003 9.539 9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.300 11.080 9.843 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.515 12.617 11.412 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.314 9.000 9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.763 13.484 12.013 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.567 9.908 10.446 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.795 12.164 11.461 1.00 0.00 H new ATOM 809 N GLU A 53 3.576 11.195 12.411 1.00 0.00 N ATOM 810 CA GLU A 53 3.037 11.999 13.522 1.00 0.00 C ATOM 811 C GLU A 53 2.521 11.140 14.696 1.00 0.00 C ATOM 812 O GLU A 53 2.580 11.570 15.850 1.00 0.00 O ATOM 813 CB GLU A 53 1.906 12.906 13.021 1.00 0.00 C ATOM 814 CG GLU A 53 2.359 13.999 12.041 1.00 0.00 C ATOM 815 CD GLU A 53 1.190 14.915 11.648 1.00 0.00 C ATOM 816 OE1 GLU A 53 0.473 15.415 12.549 1.00 0.00 O ATOM 817 OE2 GLU A 53 0.954 15.132 10.431 1.00 0.00 O ATOM 0 H GLU A 53 2.984 11.194 11.580 1.00 0.00 H new ATOM 0 HA GLU A 53 3.866 12.599 13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.150 12.289 12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.428 13.379 13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.152 14.593 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.779 13.538 11.147 1.00 0.00 H new ATOM 824 N LYS A 54 2.044 9.915 14.429 1.00 0.00 N ATOM 825 CA LYS A 54 1.552 8.945 15.426 1.00 0.00 C ATOM 826 C LYS A 54 2.680 8.114 16.072 1.00 0.00 C ATOM 827 O LYS A 54 2.430 7.293 16.953 1.00 0.00 O ATOM 828 CB LYS A 54 0.512 8.008 14.780 1.00 0.00 C ATOM 829 CG LYS A 54 -0.494 8.617 13.784 1.00 0.00 C ATOM 830 CD LYS A 54 -1.365 9.767 14.313 1.00 0.00 C ATOM 831 CE LYS A 54 -2.358 10.237 13.234 1.00 0.00 C ATOM 832 NZ LYS A 54 -1.718 11.066 12.180 1.00 0.00 N ATOM 0 H LYS A 54 1.987 9.556 13.476 1.00 0.00 H new ATOM 0 HA LYS A 54 1.090 9.524 16.226 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.053 7.215 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.056 7.537 15.582 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.059 8.978 12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.153 7.822 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.910 9.440 15.198 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.731 10.599 14.619 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.823 9.366 12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.155 10.811 13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.414 11.282 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.371 11.953 12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.920 10.544 11.764 1.00 0.00 H new ATOM 846 N SER A 55 3.922 8.314 15.621 1.00 0.00 N ATOM 847 CA SER A 55 5.123 7.500 15.872 1.00 0.00 C ATOM 848 C SER A 55 5.680 7.524 17.311 1.00 0.00 C ATOM 849 O SER A 55 6.869 7.260 17.503 1.00 0.00 O ATOM 850 CB SER A 55 6.205 7.870 14.846 1.00 0.00 C ATOM 851 OG SER A 55 7.237 6.903 14.841 1.00 0.00 O ATOM 0 H SER A 55 4.134 9.112 15.023 1.00 0.00 H new ATOM 0 HA SER A 55 4.804 6.465 15.752 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.762 7.943 13.853 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.619 8.850 15.083 1.00 0.00 H new ATOM 0 HG SER A 55 7.448 6.645 15.763 1.00 0.00 H new ATOM 857 N SER A 56 4.881 7.871 18.325 1.00 0.00 N ATOM 858 CA SER A 56 5.344 8.091 19.711 1.00 0.00 C ATOM 859 C SER A 56 5.820 6.817 20.431 1.00 0.00 C ATOM 860 O SER A 56 6.282 6.872 21.567 1.00 0.00 O ATOM 861 CB SER A 56 4.286 8.837 20.530 1.00 0.00 C ATOM 862 OG SER A 56 3.968 10.058 19.882 1.00 0.00 O ATOM 0 H SER A 56 3.877 8.011 18.210 1.00 0.00 H new ATOM 0 HA SER A 56 6.232 8.717 19.628 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.391 8.224 20.635 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.658 9.032 21.536 1.00 0.00 H new ATOM 0 HG SER A 56 3.290 10.538 20.402 1.00 0.00 H new ATOM 868 N SER A 57 5.796 5.669 19.751 1.00 0.00 N ATOM 869 CA SER A 57 6.682 4.532 20.001 1.00 0.00 C ATOM 870 C SER A 57 6.977 3.812 18.680 1.00 0.00 C ATOM 871 O SER A 57 6.115 3.724 17.798 1.00 0.00 O ATOM 872 CB SER A 57 6.053 3.609 21.039 1.00 0.00 C ATOM 873 OG SER A 57 6.592 2.305 20.992 1.00 0.00 O ATOM 0 H SER A 57 5.140 5.501 18.989 1.00 0.00 H new ATOM 0 HA SER A 57 7.634 4.875 20.406 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.205 4.027 22.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.977 3.561 20.875 1.00 0.00 H new ATOM 0 HG SER A 57 6.162 1.748 21.674 1.00 0.00 H new ATOM 879 N LYS A 58 8.202 3.295 18.535 1.00 0.00 N ATOM 880 CA LYS A 58 8.639 2.556 17.336 1.00 0.00 C ATOM 881 C LYS A 58 7.908 1.224 17.221 1.00 0.00 C ATOM 882 O LYS A 58 7.497 0.848 16.126 1.00 0.00 O ATOM 883 CB LYS A 58 10.156 2.321 17.363 1.00 0.00 C ATOM 884 CG LYS A 58 10.748 2.094 15.988 1.00 0.00 C ATOM 885 CD LYS A 58 12.244 1.743 16.063 1.00 0.00 C ATOM 886 CE LYS A 58 12.447 0.310 15.571 1.00 0.00 C ATOM 887 NZ LYS A 58 13.814 -0.182 15.846 1.00 0.00 N ATOM 0 H LYS A 58 8.926 3.376 19.249 1.00 0.00 H new ATOM 0 HA LYS A 58 8.394 3.163 16.464 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.642 3.181 17.824 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.372 1.457 17.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.210 1.288 15.489 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.614 2.990 15.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.824 2.436 15.453 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.603 1.843 17.087 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.722 -0.345 16.054 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.254 0.264 14.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.909 -1.157 15.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.506 0.427 15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.990 -0.163 16.871 1.00 0.00 H new ATOM 901 N GLU A 59 7.694 0.564 18.362 1.00 0.00 N ATOM 902 CA GLU A 59 6.940 -0.682 18.462 1.00 0.00 C ATOM 903 C GLU A 59 5.543 -0.534 17.845 1.00 0.00 C ATOM 904 O GLU A 59 5.108 -1.409 17.096 1.00 0.00 O ATOM 905 CB GLU A 59 6.817 -1.152 19.925 1.00 0.00 C ATOM 906 CG GLU A 59 8.148 -1.497 20.617 1.00 0.00 C ATOM 907 CD GLU A 59 8.790 -0.296 21.325 1.00 0.00 C ATOM 908 OE1 GLU A 59 9.367 0.577 20.635 1.00 0.00 O ATOM 909 OE2 GLU A 59 8.756 -0.227 22.579 1.00 0.00 O ATOM 0 H GLU A 59 8.049 0.891 19.261 1.00 0.00 H new ATOM 0 HA GLU A 59 7.494 -1.436 17.903 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.319 -0.371 20.500 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.172 -2.030 19.955 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.977 -2.291 21.344 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.845 -1.889 19.876 1.00 0.00 H new ATOM 916 N GLU A 60 4.880 0.601 18.093 1.00 0.00 N ATOM 917 CA GLU A 60 3.548 0.899 17.558 1.00 0.00 C ATOM 918 C GLU A 60 3.584 1.355 16.091 1.00 0.00 C ATOM 919 O GLU A 60 2.696 0.968 15.333 1.00 0.00 O ATOM 920 CB GLU A 60 2.827 1.956 18.415 1.00 0.00 C ATOM 921 CG GLU A 60 2.890 1.745 19.936 1.00 0.00 C ATOM 922 CD GLU A 60 2.379 0.385 20.430 1.00 0.00 C ATOM 923 OE1 GLU A 60 1.260 -0.031 20.042 1.00 0.00 O ATOM 924 OE2 GLU A 60 3.039 -0.237 21.302 1.00 0.00 O ATOM 0 H GLU A 60 5.258 1.347 18.678 1.00 0.00 H new ATOM 0 HA GLU A 60 2.991 -0.037 17.598 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.252 2.933 18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.780 1.986 18.115 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.923 1.866 20.261 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.309 2.531 20.420 1.00 0.00 H new ATOM 931 N TYR A 61 4.600 2.115 15.656 1.00 0.00 N ATOM 932 CA TYR A 61 4.775 2.490 14.240 1.00 0.00 C ATOM 933 C TYR A 61 4.931 1.238 13.365 1.00 0.00 C ATOM 934 O TYR A 61 4.173 1.028 12.416 1.00 0.00 O ATOM 935 CB TYR A 61 5.986 3.431 14.074 1.00 0.00 C ATOM 936 CG TYR A 61 6.179 3.992 12.666 1.00 0.00 C ATOM 937 CD1 TYR A 61 6.913 3.283 11.690 1.00 0.00 C ATOM 938 CD2 TYR A 61 5.626 5.242 12.332 1.00 0.00 C ATOM 939 CE1 TYR A 61 7.049 3.790 10.376 1.00 0.00 C ATOM 940 CE2 TYR A 61 5.770 5.756 11.027 1.00 0.00 C ATOM 941 CZ TYR A 61 6.452 5.027 10.037 1.00 0.00 C ATOM 942 OH TYR A 61 6.507 5.582 8.795 1.00 0.00 O ATOM 0 H TYR A 61 5.323 2.487 16.272 1.00 0.00 H new ATOM 0 HA TYR A 61 3.883 3.024 13.912 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.878 4.264 14.769 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.889 2.891 14.361 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.376 2.343 11.950 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.089 5.810 13.078 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.606 3.235 9.635 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.351 6.722 10.785 1.00 0.00 H new ATOM 0 HH TYR A 61 6.709 4.887 8.135 1.00 0.00 H new ATOM 952 N GLN A 62 5.866 0.354 13.722 1.00 0.00 N ATOM 953 CA GLN A 62 6.171 -0.838 12.931 1.00 0.00 C ATOM 954 C GLN A 62 5.054 -1.896 12.998 1.00 0.00 C ATOM 955 O GLN A 62 4.751 -2.516 11.971 1.00 0.00 O ATOM 956 CB GLN A 62 7.545 -1.385 13.347 1.00 0.00 C ATOM 957 CG GLN A 62 8.674 -0.387 13.035 1.00 0.00 C ATOM 958 CD GLN A 62 10.009 -1.081 12.802 1.00 0.00 C ATOM 959 OE1 GLN A 62 10.533 -1.104 11.697 1.00 0.00 O ATOM 960 NE2 GLN A 62 10.595 -1.687 13.806 1.00 0.00 N ATOM 0 H GLN A 62 6.431 0.445 14.566 1.00 0.00 H new ATOM 0 HA GLN A 62 6.220 -0.557 11.879 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.540 -1.607 14.414 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.735 -2.324 12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.409 0.193 12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.772 0.317 13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.165 -1.673 14.731 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.481 -2.172 13.662 1.00 0.00 H new ATOM 969 N LYS A 63 4.359 -2.023 14.143 1.00 0.00 N ATOM 970 CA LYS A 63 3.157 -2.866 14.269 1.00 0.00 C ATOM 971 C LYS A 63 1.986 -2.308 13.462 1.00 0.00 C ATOM 972 O LYS A 63 1.310 -3.066 12.774 1.00 0.00 O ATOM 973 CB LYS A 63 2.806 -3.027 15.756 1.00 0.00 C ATOM 974 CG LYS A 63 1.584 -3.925 16.009 1.00 0.00 C ATOM 975 CD LYS A 63 1.372 -4.084 17.518 1.00 0.00 C ATOM 976 CE LYS A 63 0.120 -4.910 17.824 1.00 0.00 C ATOM 977 NZ LYS A 63 -0.042 -5.083 19.287 1.00 0.00 N ATOM 0 H LYS A 63 4.615 -1.544 15.006 1.00 0.00 H new ATOM 0 HA LYS A 63 3.369 -3.850 13.850 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.666 -3.443 16.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.617 -2.043 16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.697 -3.488 15.550 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.734 -4.901 15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.244 -4.566 17.960 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.282 -3.101 17.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.759 -4.416 17.411 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.194 -5.885 17.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.896 -5.645 19.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.790 -5.574 19.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.134 -4.151 19.739 1.00 0.00 H new ATOM 991 N THR A 64 1.772 -0.991 13.467 1.00 0.00 N ATOM 992 CA THR A 64 0.693 -0.364 12.683 1.00 0.00 C ATOM 993 C THR A 64 0.960 -0.455 11.179 1.00 0.00 C ATOM 994 O THR A 64 0.022 -0.681 10.419 1.00 0.00 O ATOM 995 CB THR A 64 0.428 1.083 13.118 1.00 0.00 C ATOM 996 OG1 THR A 64 0.148 1.102 14.499 1.00 0.00 O ATOM 997 CG2 THR A 64 -0.795 1.692 12.431 1.00 0.00 C ATOM 0 H THR A 64 2.332 -0.331 14.006 1.00 0.00 H new ATOM 0 HA THR A 64 -0.215 -0.931 12.890 1.00 0.00 H new ATOM 0 HB THR A 64 1.317 1.655 12.852 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.969 1.297 14.997 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.934 2.716 12.777 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.644 1.691 11.351 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.680 1.104 12.674 1.00 0.00 H new ATOM 1005 N MET A 65 2.221 -0.397 10.732 1.00 0.00 N ATOM 1006 CA MET A 65 2.581 -0.675 9.335 1.00 0.00 C ATOM 1007 C MET A 65 2.231 -2.124 8.933 1.00 0.00 C ATOM 1008 O MET A 65 1.574 -2.332 7.913 1.00 0.00 O ATOM 1009 CB MET A 65 4.069 -0.345 9.118 1.00 0.00 C ATOM 1010 CG MET A 65 4.484 -0.381 7.641 1.00 0.00 C ATOM 1011 SD MET A 65 3.730 0.882 6.572 1.00 0.00 S ATOM 1012 CE MET A 65 4.681 2.353 7.061 1.00 0.00 C ATOM 0 H MET A 65 3.016 -0.158 11.324 1.00 0.00 H new ATOM 0 HA MET A 65 1.990 -0.036 8.679 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.279 0.645 9.524 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.678 -1.055 9.678 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.568 -0.276 7.586 1.00 0.00 H new ATOM 0 HG3 MET A 65 4.238 -1.364 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.335 3.216 6.491 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.539 2.541 8.125 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.739 2.186 6.860 1.00 0.00 H new ATOM 1022 N LYS A 66 2.564 -3.122 9.768 1.00 0.00 N ATOM 1023 CA LYS A 66 2.185 -4.540 9.558 1.00 0.00 C ATOM 1024 C LYS A 66 0.660 -4.719 9.562 1.00 0.00 C ATOM 1025 O LYS A 66 0.100 -5.349 8.665 1.00 0.00 O ATOM 1026 CB LYS A 66 2.895 -5.406 10.613 1.00 0.00 C ATOM 1027 CG LYS A 66 3.173 -6.863 10.207 1.00 0.00 C ATOM 1028 CD LYS A 66 1.942 -7.764 10.026 1.00 0.00 C ATOM 1029 CE LYS A 66 2.429 -9.206 9.838 1.00 0.00 C ATOM 1030 NZ LYS A 66 1.323 -10.170 9.656 1.00 0.00 N ATOM 0 H LYS A 66 3.109 -2.972 10.617 1.00 0.00 H new ATOM 0 HA LYS A 66 2.513 -4.869 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.843 -4.932 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.289 -5.411 11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.733 -6.857 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.818 -7.312 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.288 -7.694 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.360 -7.443 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.089 -9.251 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.021 -9.500 10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.713 -11.126 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.706 -10.152 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.772 -9.911 8.813 1.00 0.00 H new ATOM 1044 N SER A 67 -0.019 -4.079 10.513 1.00 0.00 N ATOM 1045 CA SER A 67 -1.480 -4.062 10.630 1.00 0.00 C ATOM 1046 C SER A 67 -2.172 -3.450 9.405 1.00 0.00 C ATOM 1047 O SER A 67 -3.185 -3.989 8.951 1.00 0.00 O ATOM 1048 CB SER A 67 -1.864 -3.306 11.905 1.00 0.00 C ATOM 1049 OG SER A 67 -3.263 -3.250 12.070 1.00 0.00 O ATOM 0 H SER A 67 0.444 -3.542 11.246 1.00 0.00 H new ATOM 0 HA SER A 67 -1.826 -5.094 10.683 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.414 -3.795 12.769 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.460 -2.294 11.865 1.00 0.00 H new ATOM 0 HG SER A 67 -3.476 -2.763 12.893 1.00 0.00 H new ATOM 1055 N LYS A 68 -1.604 -2.381 8.824 1.00 0.00 N ATOM 1056 CA LYS A 68 -2.079 -1.731 7.593 1.00 0.00 C ATOM 1057 C LYS A 68 -1.896 -2.620 6.365 1.00 0.00 C ATOM 1058 O LYS A 68 -2.842 -2.785 5.597 1.00 0.00 O ATOM 1059 CB LYS A 68 -1.340 -0.393 7.407 1.00 0.00 C ATOM 1060 CG LYS A 68 -1.858 0.442 6.224 1.00 0.00 C ATOM 1061 CD LYS A 68 -3.274 0.964 6.480 1.00 0.00 C ATOM 1062 CE LYS A 68 -3.630 2.050 5.467 1.00 0.00 C ATOM 1063 NZ LYS A 68 -4.991 2.563 5.724 1.00 0.00 N ATOM 0 H LYS A 68 -0.775 -1.931 9.211 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.149 -1.551 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.433 0.193 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.278 -0.592 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.186 1.282 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.852 -0.165 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.989 0.144 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.344 1.364 7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.909 2.865 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.570 1.648 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.221 3.301 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.676 1.785 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.035 2.965 6.682 1.00 0.00 H new ATOM 1077 N ILE A 69 -0.713 -3.225 6.212 1.00 0.00 N ATOM 1078 CA ILE A 69 -0.417 -4.223 5.171 1.00 0.00 C ATOM 1079 C ILE A 69 -1.461 -5.347 5.228 1.00 0.00 C ATOM 1080 O ILE A 69 -2.091 -5.654 4.220 1.00 0.00 O ATOM 1081 CB ILE A 69 1.033 -4.744 5.350 1.00 0.00 C ATOM 1082 CG1 ILE A 69 2.043 -3.649 4.939 1.00 0.00 C ATOM 1083 CG2 ILE A 69 1.311 -6.030 4.549 1.00 0.00 C ATOM 1084 CD1 ILE A 69 3.462 -3.872 5.479 1.00 0.00 C ATOM 0 H ILE A 69 0.084 -3.033 6.819 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.479 -3.773 4.180 1.00 0.00 H new ATOM 0 HB ILE A 69 1.151 -4.989 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.084 -3.597 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.679 -2.684 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.341 -6.346 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.633 -6.817 4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.156 -5.838 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.110 -3.061 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.438 -3.893 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.848 -4.821 5.106 1.00 0.00 H new ATOM 1096 N ASP A 70 -1.717 -5.893 6.417 1.00 0.00 N ATOM 1097 CA ASP A 70 -2.703 -6.949 6.652 1.00 0.00 C ATOM 1098 C ASP A 70 -4.162 -6.512 6.377 1.00 0.00 C ATOM 1099 O ASP A 70 -4.922 -7.269 5.766 1.00 0.00 O ATOM 1100 CB ASP A 70 -2.516 -7.420 8.097 1.00 0.00 C ATOM 1101 CG ASP A 70 -3.570 -8.441 8.500 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -3.386 -9.657 8.253 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -4.608 -8.017 9.059 1.00 0.00 O ATOM 0 H ASP A 70 -1.231 -5.605 7.267 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.532 -7.761 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.524 -7.857 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.565 -6.562 8.768 1.00 0.00 H new ATOM 1108 N ALA A 71 -4.556 -5.300 6.780 1.00 0.00 N ATOM 1109 CA ALA A 71 -5.893 -4.752 6.526 1.00 0.00 C ATOM 1110 C ALA A 71 -6.146 -4.526 5.025 1.00 0.00 C ATOM 1111 O ALA A 71 -7.217 -4.863 4.510 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.044 -3.446 7.315 1.00 0.00 C ATOM 0 H ALA A 71 -3.949 -4.664 7.298 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.641 -5.473 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.034 -3.026 7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.922 -3.648 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.284 -2.735 6.991 1.00 0.00 H new ATOM 1118 N MET A 72 -5.134 -4.027 4.307 1.00 0.00 N ATOM 1119 CA MET A 72 -5.161 -3.877 2.852 1.00 0.00 C ATOM 1120 C MET A 72 -5.080 -5.229 2.129 1.00 0.00 C ATOM 1121 O MET A 72 -5.708 -5.382 1.084 1.00 0.00 O ATOM 1122 CB MET A 72 -4.059 -2.902 2.402 1.00 0.00 C ATOM 1123 CG MET A 72 -4.438 -1.463 2.777 1.00 0.00 C ATOM 1124 SD MET A 72 -3.234 -0.200 2.283 1.00 0.00 S ATOM 1125 CE MET A 72 -4.357 1.194 1.976 1.00 0.00 C ATOM 0 H MET A 72 -4.261 -3.712 4.729 1.00 0.00 H new ATOM 0 HA MET A 72 -6.123 -3.450 2.569 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.112 -3.170 2.871 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.914 -2.978 1.324 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.399 -1.226 2.321 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.576 -1.409 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.790 2.125 1.976 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.842 1.064 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.114 1.231 2.759 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.429 -6.253 2.704 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.490 -7.649 2.219 1.00 0.00 C ATOM 1137 C ARG A 73 -5.912 -8.211 2.310 1.00 0.00 C ATOM 1138 O ARG A 73 -6.355 -8.910 1.399 1.00 0.00 O ATOM 1139 CB ARG A 73 -3.476 -8.515 2.999 1.00 0.00 C ATOM 1140 CG ARG A 73 -2.849 -9.651 2.178 1.00 0.00 C ATOM 1141 CD ARG A 73 -3.759 -10.837 1.831 1.00 0.00 C ATOM 1142 NE ARG A 73 -4.240 -11.554 3.030 1.00 0.00 N ATOM 1143 CZ ARG A 73 -5.480 -11.889 3.334 1.00 0.00 C ATOM 1144 NH1 ARG A 73 -6.511 -11.486 2.650 1.00 0.00 N ATOM 1145 NH2 ARG A 73 -5.715 -12.660 4.352 1.00 0.00 N ATOM 0 H ARG A 73 -3.838 -6.138 3.528 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.217 -7.668 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.680 -7.872 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.975 -8.944 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.471 -9.229 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.988 -10.032 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.615 -10.478 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.216 -11.532 1.190 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.526 -11.823 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.380 -10.883 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.450 -11.773 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.941 -13.008 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.674 -12.918 4.586 1.00 0.00 H new ATOM 1159 N SER A 74 -6.662 -7.856 3.353 1.00 0.00 N ATOM 1160 CA SER A 74 -8.096 -8.172 3.442 1.00 0.00 C ATOM 1161 C SER A 74 -8.911 -7.455 2.350 1.00 0.00 C ATOM 1162 O SER A 74 -9.727 -8.095 1.679 1.00 0.00 O ATOM 1163 CB SER A 74 -8.638 -7.876 4.846 1.00 0.00 C ATOM 1164 OG SER A 74 -9.887 -8.517 5.005 1.00 0.00 O ATOM 0 H SER A 74 -6.300 -7.344 4.158 1.00 0.00 H new ATOM 0 HA SER A 74 -8.209 -9.241 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.936 -8.228 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.747 -6.801 4.988 1.00 0.00 H new ATOM 0 HG SER A 74 -10.238 -8.333 5.901 1.00 0.00 H new ATOM 1170 N THR A 75 -8.611 -6.174 2.068 1.00 0.00 N ATOM 1171 CA THR A 75 -9.216 -5.421 0.946 1.00 0.00 C ATOM 1172 C THR A 75 -8.922 -6.093 -0.402 1.00 0.00 C ATOM 1173 O THR A 75 -9.842 -6.343 -1.173 1.00 0.00 O ATOM 1174 CB THR A 75 -8.740 -3.952 0.879 1.00 0.00 C ATOM 1175 OG1 THR A 75 -8.717 -3.305 2.134 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.636 -3.100 -0.018 1.00 0.00 C ATOM 0 H THR A 75 -7.942 -5.628 2.611 1.00 0.00 H new ATOM 0 HA THR A 75 -10.289 -5.426 1.140 1.00 0.00 H new ATOM 0 HB THR A 75 -7.728 -4.028 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.406 -2.383 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.264 -2.075 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.630 -3.506 -1.030 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.654 -3.110 0.370 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.664 -6.473 -0.667 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.168 -7.184 -1.840 1.00 0.00 C ATOM 1186 C ARG A 76 -7.962 -8.440 -2.191 1.00 0.00 C ATOM 1187 O ARG A 76 -8.282 -8.675 -3.353 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.708 -7.516 -1.518 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.974 -7.707 -2.826 1.00 0.00 C ATOM 1190 CD ARG A 76 -4.082 -8.935 -2.849 1.00 0.00 C ATOM 1191 NE ARG A 76 -4.796 -10.211 -2.611 1.00 0.00 N ATOM 1192 CZ ARG A 76 -4.665 -11.338 -3.290 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -4.000 -11.443 -4.402 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -5.236 -12.408 -2.834 1.00 0.00 N ATOM 0 H ARG A 76 -6.911 -6.272 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.273 -6.560 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.253 -6.712 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.647 -8.419 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.702 -7.782 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.367 -6.824 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.581 -8.987 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.306 -8.820 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.462 -10.221 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.540 -10.624 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.938 -12.344 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.773 -12.370 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.148 -13.289 -3.341 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.314 -9.227 -1.184 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.109 -10.444 -1.353 1.00 0.00 C ATOM 1210 C ASP A 77 -10.599 -10.140 -1.588 1.00 0.00 C ATOM 1211 O ASP A 77 -11.259 -10.851 -2.351 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.873 -11.360 -0.147 1.00 0.00 C ATOM 1213 CG ASP A 77 -7.697 -12.308 -0.394 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -6.534 -11.843 -0.472 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -7.939 -13.532 -0.527 1.00 0.00 O ATOM 0 H ASP A 77 -8.055 -9.040 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.783 -10.963 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.677 -10.756 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.774 -11.939 0.055 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.120 -9.044 -1.026 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.501 -8.580 -1.242 1.00 0.00 C ATOM 1222 C LYS A 78 -12.719 -8.041 -2.646 1.00 0.00 C ATOM 1223 O LYS A 78 -13.617 -8.482 -3.367 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.830 -7.508 -0.188 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.304 -7.530 0.226 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.549 -6.554 1.382 1.00 0.00 C ATOM 1227 CE LYS A 78 -15.952 -6.750 1.961 1.00 0.00 C ATOM 1228 NZ LYS A 78 -16.169 -5.860 3.123 1.00 0.00 N ATOM 0 H LYS A 78 -10.588 -8.442 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.173 -9.432 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.206 -7.664 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.581 -6.524 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.931 -7.261 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.589 -8.538 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.803 -6.709 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.434 -5.529 1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.699 -6.544 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.084 -7.789 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.127 -6.009 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.469 -6.076 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.065 -4.869 2.825 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.773 -7.208 -3.083 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.641 -6.753 -4.474 1.00 0.00 C ATOM 1244 C ARG A 79 -11.584 -7.927 -5.457 1.00 0.00 C ATOM 1245 O ARG A 79 -12.035 -7.766 -6.591 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.391 -5.860 -4.626 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.460 -4.500 -3.905 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.641 -3.660 -4.401 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.568 -2.242 -4.002 1.00 0.00 N ATOM 1250 CZ ARG A 79 -12.377 -1.293 -4.442 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -13.368 -1.553 -5.242 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -12.207 -0.054 -4.092 1.00 0.00 N ATOM 0 H ARG A 79 -11.059 -6.820 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.529 -6.170 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.526 -6.408 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.220 -5.681 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.552 -4.661 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.531 -3.954 -4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.687 -3.721 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.567 -4.089 -4.018 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.841 -1.974 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.539 -2.511 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.975 -0.799 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.440 0.199 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.840 0.666 -4.440 1.00 0.00 H new ATOM 1266 N LYS A 80 -11.103 -9.111 -5.046 1.00 0.00 N ATOM 1267 CA LYS A 80 -11.073 -10.298 -5.922 1.00 0.00 C ATOM 1268 C LYS A 80 -12.450 -10.960 -6.051 1.00 0.00 C ATOM 1269 O LYS A 80 -12.854 -11.280 -7.165 1.00 0.00 O ATOM 1270 CB LYS A 80 -9.942 -11.260 -5.511 1.00 0.00 C ATOM 1271 CG LYS A 80 -9.796 -12.412 -6.523 1.00 0.00 C ATOM 1272 CD LYS A 80 -8.544 -13.278 -6.314 1.00 0.00 C ATOM 1273 CE LYS A 80 -7.279 -12.529 -6.751 1.00 0.00 C ATOM 1274 NZ LYS A 80 -6.090 -13.409 -6.774 1.00 0.00 N ATOM 0 H LYS A 80 -10.728 -9.274 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.833 -9.970 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.002 -10.712 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.148 -11.666 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.679 -13.048 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.772 -11.995 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.461 -13.557 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.638 -14.203 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.434 -12.104 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.099 -11.695 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.259 -12.861 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.925 -13.794 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.249 -14.191 -7.441 1.00 0.00 H new ATOM 1288 N ARG A 81 -13.232 -11.041 -4.967 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.601 -11.608 -4.969 1.00 0.00 C ATOM 1290 C ARG A 81 -15.566 -10.790 -5.809 1.00 0.00 C ATOM 1291 O ARG A 81 -16.398 -11.340 -6.526 1.00 0.00 O ATOM 1292 CB ARG A 81 -15.158 -11.754 -3.537 1.00 0.00 C ATOM 1293 CG ARG A 81 -14.469 -12.804 -2.653 1.00 0.00 C ATOM 1294 CD ARG A 81 -14.649 -14.235 -3.177 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.009 -15.224 -2.289 1.00 0.00 N ATOM 1296 CZ ARG A 81 -13.439 -16.356 -2.666 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -13.529 -16.818 -3.880 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -12.768 -17.053 -1.800 1.00 0.00 N ATOM 0 H ARG A 81 -12.935 -10.712 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.514 -12.597 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.088 -10.786 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.217 -12.002 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.405 -12.577 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.870 -12.740 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.712 -14.459 -3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.222 -14.313 -4.177 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.006 -15.015 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.056 -16.302 -4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.073 -17.696 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.684 -16.726 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.325 -17.927 -2.082 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.406 -9.479 -5.746 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.134 -8.512 -6.574 1.00 0.00 C ATOM 1314 C GLU A 82 -15.627 -8.459 -8.026 1.00 0.00 C ATOM 1315 O GLU A 82 -16.383 -8.038 -8.900 1.00 0.00 O ATOM 1316 CB GLU A 82 -16.046 -7.111 -5.944 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.768 -6.947 -4.598 1.00 0.00 C ATOM 1318 CD GLU A 82 -18.295 -7.066 -4.671 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -18.942 -6.521 -5.596 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -18.894 -7.658 -3.743 1.00 0.00 O ATOM 0 H GLU A 82 -14.749 -9.038 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.171 -8.847 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.995 -6.859 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.458 -6.388 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.391 -7.699 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.513 -5.973 -4.181 1.00 0.00 H new ATOM 1327 N SER A 83 -14.392 -8.894 -8.318 1.00 0.00 N ATOM 1328 CA SER A 83 -13.846 -8.857 -9.695 1.00 0.00 C ATOM 1329 C SER A 83 -14.090 -10.157 -10.471 1.00 0.00 C ATOM 1330 O SER A 83 -14.516 -10.122 -11.626 1.00 0.00 O ATOM 1331 CB SER A 83 -12.356 -8.495 -9.685 1.00 0.00 C ATOM 1332 OG SER A 83 -11.866 -8.302 -11.002 1.00 0.00 O ATOM 0 H SER A 83 -13.749 -9.276 -7.625 1.00 0.00 H new ATOM 0 HA SER A 83 -14.392 -8.075 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.204 -7.587 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.790 -9.288 -9.196 1.00 0.00 H new ATOM 0 HG SER A 83 -11.090 -7.704 -10.978 1.00 0.00 H new