USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 998 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 127 LYS NZ :NH3+ 173:sc= 2.04 (180deg=1.14) USER MOD Set 1.2: A 128 SER OG : rot 95:sc= 1.98 USER MOD Set 2.1: A 93 TYR OH : rot 10:sc= 1.23 USER MOD Set 2.2: A 98 MET CE :methyl -135:sc= -0.593 (180deg=-0.611) USER MOD Set 3.1: A 27 TYR OH : rot 48:sc= 0.255 USER MOD Set 3.2: A 28 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 8 HIS : no HD1:sc= -0.425 K(o=-0.42,f=-1.6) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 1.14 (180deg=-0.0928) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 27:sc= 0.561 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -161:sc= -0.0915 (180deg=-0.605) USER MOD Single : A 30 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.2) USER MOD Single : A 32 MET CE :methyl 180:sc= -0.0609 (180deg=-0.0609) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -29:sc= 0.447 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -162:sc= 1.01 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.288) USER MOD Single : A 65 MET CE :methyl -166:sc= -0.319 (180deg=-0.841) USER MOD Single : A 68 ASN : amide:sc= 1.12 K(o=1.1,f=-0.095) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0.683) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.06) USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= 0.833 (180deg=-0.264) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0204 F(o=-0.77,f=-0.02) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.0297 (180deg=-0.263) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 157:sc= -2.19! USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0601) USER MOD Single : A 100 ASN : amide:sc= -2.5! C(o=-2.5!,f=-6.2!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.185 F(o=-0.81,f=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.078) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN :FLIP amide:sc= -9.08! C(o=-9.8!,f=-9.1!) USER MOD Single : A 119 ASN : amide:sc= 0.548 K(o=0.55,f=-3.2!) USER MOD Single : A 120 THR OG1 : rot 83:sc= 0.902 USER MOD Single : A 121 HIS : +bothHN:sc= 2.2 K(o=2.2,f=-8.6!) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 131 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.4) USER MOD Single : A 133 LYS NZ :NH3+ -109:sc= 0.0921 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -172:sc=-0.00148 (180deg=-0.0782) USER MOD Single : A 138 ASN : amide:sc= 0.546 K(o=0.55,f=-0.05) USER MOD Single : A 141 SER OG : rot -15:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -6.231 -16.097 2.735 1.00 0.00 N ATOM 116 CA HIS A 8 -5.578 -16.915 1.686 1.00 0.00 C ATOM 117 C HIS A 8 -5.322 -16.123 0.396 1.00 0.00 C ATOM 118 O HIS A 8 -5.930 -15.077 0.191 1.00 0.00 O ATOM 119 CB HIS A 8 -6.421 -18.182 1.367 1.00 0.00 C ATOM 120 CG HIS A 8 -7.733 -17.950 0.635 1.00 0.00 C ATOM 121 ND1 HIS A 8 -8.338 -18.921 -0.110 1.00 0.00 N ATOM 122 CD2 HIS A 8 -8.518 -16.850 0.509 1.00 0.00 C ATOM 123 CE1 HIS A 8 -9.419 -18.441 -0.667 1.00 0.00 C ATOM 124 NE2 HIS A 8 -9.559 -17.186 -0.314 1.00 0.00 N ATOM 0 HA HIS A 8 -4.610 -17.215 2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.810 -18.858 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.638 -18.694 2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.352 -15.888 0.972 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.088 -18.989 -1.313 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.315 -16.566 -0.603 1.00 0.00 H new ATOM 133 N LYS A 9 -4.461 -16.667 -0.473 1.00 0.00 N ATOM 134 CA LYS A 9 -4.124 -16.071 -1.763 1.00 0.00 C ATOM 135 C LYS A 9 -4.907 -16.685 -2.891 1.00 0.00 C ATOM 136 O LYS A 9 -5.192 -17.890 -2.887 1.00 0.00 O ATOM 137 CB LYS A 9 -2.629 -16.168 -2.057 1.00 0.00 C ATOM 138 CG LYS A 9 -1.823 -15.077 -1.419 1.00 0.00 C ATOM 139 CD LYS A 9 -0.515 -15.574 -0.827 1.00 0.00 C ATOM 140 CE LYS A 9 0.609 -15.854 -1.840 1.00 0.00 C ATOM 141 NZ LYS A 9 0.354 -16.994 -2.753 1.00 0.00 N ATOM 0 H LYS A 9 -3.975 -17.545 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.397 -15.018 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.260 -17.133 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.476 -16.139 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.610 -14.308 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.415 -14.607 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.158 -14.835 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.714 -16.489 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.772 -14.957 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.533 -16.044 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.260 -17.380 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.172 -17.734 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.205 -16.668 -3.567 1.00 0.00 H new ATOM 155 N GLU A 10 -5.261 -15.848 -3.823 1.00 0.00 N ATOM 156 CA GLU A 10 -6.008 -16.208 -5.027 1.00 0.00 C ATOM 157 C GLU A 10 -5.483 -15.365 -6.215 1.00 0.00 C ATOM 158 O GLU A 10 -4.981 -14.260 -5.998 1.00 0.00 O ATOM 159 CB GLU A 10 -7.530 -15.996 -4.810 1.00 0.00 C ATOM 160 CG GLU A 10 -8.110 -16.888 -3.716 1.00 0.00 C ATOM 161 CD GLU A 10 -9.605 -16.846 -3.609 1.00 0.00 C ATOM 162 OE1 GLU A 10 -10.281 -17.583 -4.342 1.00 0.00 O ATOM 163 OE2 GLU A 10 -10.152 -16.101 -2.754 1.00 0.00 O ATOM 0 H GLU A 10 -5.036 -14.854 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.859 -17.264 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.712 -14.952 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.055 -16.191 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.800 -17.917 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.681 -16.593 -2.758 1.00 0.00 H new ATOM 170 N PRO A 11 -5.557 -15.885 -7.463 1.00 0.00 N ATOM 171 CA PRO A 11 -5.026 -15.186 -8.663 1.00 0.00 C ATOM 172 C PRO A 11 -5.835 -13.936 -9.082 1.00 0.00 C ATOM 173 O PRO A 11 -7.084 -13.917 -9.020 1.00 0.00 O ATOM 174 CB PRO A 11 -5.105 -16.259 -9.754 1.00 0.00 C ATOM 175 CG PRO A 11 -6.201 -17.163 -9.312 1.00 0.00 C ATOM 176 CD PRO A 11 -6.129 -17.199 -7.810 1.00 0.00 C ATOM 0 HA PRO A 11 -4.025 -14.797 -8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.322 -15.819 -10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.162 -16.797 -9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.170 -16.794 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.077 -18.161 -9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.114 -17.339 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.500 -18.017 -7.457 1.00 0.00 H new ATOM 184 N ALA A 12 -5.119 -12.906 -9.520 1.00 0.00 N ATOM 185 CA ALA A 12 -5.711 -11.660 -9.946 1.00 0.00 C ATOM 186 C ALA A 12 -4.892 -11.011 -11.065 1.00 0.00 C ATOM 187 O ALA A 12 -3.791 -11.460 -11.387 1.00 0.00 O ATOM 188 CB ALA A 12 -5.793 -10.720 -8.767 1.00 0.00 C ATOM 0 H ALA A 12 -4.101 -12.921 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.709 -11.865 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.239 -9.777 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.407 -11.168 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.791 -10.535 -8.379 1.00 0.00 H new ATOM 194 N THR A 13 -5.462 -9.991 -11.682 1.00 0.00 N ATOM 195 CA THR A 13 -4.812 -9.193 -12.716 1.00 0.00 C ATOM 196 C THR A 13 -5.427 -7.776 -12.668 1.00 0.00 C ATOM 197 O THR A 13 -6.630 -7.663 -12.557 1.00 0.00 O ATOM 198 CB THR A 13 -5.043 -9.826 -14.116 1.00 0.00 C ATOM 199 OG1 THR A 13 -4.558 -11.189 -14.110 1.00 0.00 O ATOM 200 CG2 THR A 13 -4.306 -9.044 -15.194 1.00 0.00 C ATOM 0 H THR A 13 -6.413 -9.684 -11.476 1.00 0.00 H new ATOM 0 HA THR A 13 -3.737 -9.152 -12.541 1.00 0.00 H new ATOM 0 HB THR A 13 -6.111 -9.803 -14.333 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.704 -11.592 -14.991 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.483 -9.507 -16.165 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.669 -8.016 -15.210 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.237 -9.048 -14.980 1.00 0.00 H new ATOM 208 N LEU A 14 -4.628 -6.714 -12.750 1.00 0.00 N ATOM 209 CA LEU A 14 -5.164 -5.351 -12.593 1.00 0.00 C ATOM 210 C LEU A 14 -5.945 -4.907 -13.818 1.00 0.00 C ATOM 211 O LEU A 14 -5.541 -5.171 -14.955 1.00 0.00 O ATOM 212 CB LEU A 14 -4.057 -4.313 -12.347 1.00 0.00 C ATOM 213 CG LEU A 14 -4.569 -2.894 -12.029 1.00 0.00 C ATOM 214 CD1 LEU A 14 -5.056 -2.802 -10.604 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.538 -1.825 -12.334 1.00 0.00 C ATOM 0 H LEU A 14 -3.624 -6.761 -12.921 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.821 -5.400 -11.725 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.434 -4.654 -11.520 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.418 -4.266 -13.229 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.416 -2.704 -12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.412 -1.791 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.871 -3.510 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.238 -3.039 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.948 -0.844 -12.093 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.643 -2.001 -11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.280 -1.860 -13.392 1.00 0.00 H new ATOM 227 N ILE A 15 -7.058 -4.238 -13.589 1.00 0.00 N ATOM 228 CA ILE A 15 -7.816 -3.656 -14.665 1.00 0.00 C ATOM 229 C ILE A 15 -7.575 -2.147 -14.648 1.00 0.00 C ATOM 230 O ILE A 15 -7.125 -1.569 -15.638 1.00 0.00 O ATOM 231 CB ILE A 15 -9.341 -3.955 -14.554 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.593 -5.477 -14.529 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.098 -3.305 -15.720 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.053 -5.862 -14.396 1.00 0.00 C ATOM 0 H ILE A 15 -7.454 -4.087 -12.661 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.483 -4.098 -15.604 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.710 -3.530 -13.621 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.195 -5.915 -15.444 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.037 -5.913 -13.699 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.162 -3.522 -15.629 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.945 -2.226 -15.697 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.725 -3.704 -16.663 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.143 -6.948 -14.386 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.453 -5.456 -13.467 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.614 -5.459 -15.239 1.00 0.00 H new ATOM 246 N LYS A 16 -7.841 -1.524 -13.505 1.00 0.00 N ATOM 247 CA LYS A 16 -7.637 -0.104 -13.344 1.00 0.00 C ATOM 248 C LYS A 16 -7.296 0.172 -11.882 1.00 0.00 C ATOM 249 O LYS A 16 -7.765 -0.538 -10.986 1.00 0.00 O ATOM 250 CB LYS A 16 -8.919 0.644 -13.689 1.00 0.00 C ATOM 251 CG LYS A 16 -8.796 2.171 -13.860 1.00 0.00 C ATOM 252 CD LYS A 16 -8.490 2.617 -15.307 1.00 0.00 C ATOM 253 CE LYS A 16 -7.153 2.122 -15.850 1.00 0.00 C ATOM 254 NZ LYS A 16 -6.923 2.610 -17.229 1.00 0.00 N ATOM 0 H LYS A 16 -8.201 -1.993 -12.674 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.832 0.227 -14.001 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.319 0.228 -14.613 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.652 0.446 -12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.725 2.639 -13.535 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.007 2.538 -13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.287 2.262 -15.960 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.505 3.706 -15.349 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.346 2.462 -15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.134 1.032 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.007 2.258 -17.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.682 2.265 -17.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.918 3.650 -17.233 1.00 0.00 H new ATOM 268 N ALA A 17 -6.495 1.166 -11.644 1.00 0.00 N ATOM 269 CA ALA A 17 -6.168 1.564 -10.297 1.00 0.00 C ATOM 270 C ALA A 17 -6.996 2.779 -9.963 1.00 0.00 C ATOM 271 O ALA A 17 -6.903 3.803 -10.650 1.00 0.00 O ATOM 272 CB ALA A 17 -4.684 1.866 -10.164 1.00 0.00 C ATOM 0 H ALA A 17 -6.048 1.726 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.391 0.754 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.464 2.164 -9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.108 0.976 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.415 2.676 -10.843 1.00 0.00 H new ATOM 278 N ILE A 18 -7.820 2.670 -8.957 1.00 0.00 N ATOM 279 CA ILE A 18 -8.718 3.742 -8.612 1.00 0.00 C ATOM 280 C ILE A 18 -7.986 4.779 -7.749 1.00 0.00 C ATOM 281 O ILE A 18 -7.972 5.978 -8.047 1.00 0.00 O ATOM 282 CB ILE A 18 -9.975 3.198 -7.880 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.671 2.150 -8.769 1.00 0.00 C ATOM 284 CG2 ILE A 18 -10.929 4.333 -7.519 1.00 0.00 C ATOM 285 CD1 ILE A 18 -11.965 1.598 -8.208 1.00 0.00 C ATOM 0 H ILE A 18 -7.890 1.847 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.054 4.226 -9.529 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.668 2.723 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.875 2.598 -9.742 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.982 1.322 -8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.801 3.926 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.421 5.041 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -11.247 4.844 -8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.381 0.869 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.770 1.116 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.677 2.411 -8.067 1.00 0.00 H new ATOM 297 N ASP A 19 -7.346 4.285 -6.727 1.00 0.00 N ATOM 298 CA ASP A 19 -6.570 5.064 -5.781 1.00 0.00 C ATOM 299 C ASP A 19 -5.353 4.261 -5.417 1.00 0.00 C ATOM 300 O ASP A 19 -5.017 3.307 -6.120 1.00 0.00 O ATOM 301 CB ASP A 19 -7.378 5.396 -4.505 1.00 0.00 C ATOM 302 CG ASP A 19 -8.314 6.564 -4.672 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.855 7.720 -4.544 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.517 6.364 -4.903 1.00 0.00 O ATOM 0 H ASP A 19 -7.346 3.287 -6.514 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.296 6.013 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.954 4.519 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.685 5.610 -3.691 1.00 0.00 H new ATOM 309 N GLY A 20 -4.676 4.642 -4.357 1.00 0.00 N ATOM 310 CA GLY A 20 -3.533 3.887 -3.915 1.00 0.00 C ATOM 311 C GLY A 20 -3.957 2.615 -3.214 1.00 0.00 C ATOM 312 O GLY A 20 -3.358 1.566 -3.403 1.00 0.00 O ATOM 0 H GLY A 20 -4.897 5.462 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.903 3.642 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.931 4.495 -3.239 1.00 0.00 H new ATOM 316 N ASP A 21 -5.000 2.718 -2.408 1.00 0.00 N ATOM 317 CA ASP A 21 -5.526 1.560 -1.670 1.00 0.00 C ATOM 318 C ASP A 21 -6.734 0.949 -2.362 1.00 0.00 C ATOM 319 O ASP A 21 -7.175 -0.137 -2.004 1.00 0.00 O ATOM 320 CB ASP A 21 -5.906 1.920 -0.214 1.00 0.00 C ATOM 321 CG ASP A 21 -6.972 3.001 -0.102 1.00 0.00 C ATOM 322 OD1 ASP A 21 -8.084 2.845 -0.642 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.726 4.029 0.559 1.00 0.00 O ATOM 0 H ASP A 21 -5.506 3.588 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.718 0.828 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.260 1.021 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.011 2.251 0.313 1.00 0.00 H new ATOM 328 N THR A 22 -7.287 1.653 -3.320 1.00 0.00 N ATOM 329 CA THR A 22 -8.440 1.155 -4.009 1.00 0.00 C ATOM 330 C THR A 22 -8.056 0.801 -5.433 1.00 0.00 C ATOM 331 O THR A 22 -7.576 1.646 -6.183 1.00 0.00 O ATOM 332 CB THR A 22 -9.562 2.210 -4.047 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.780 2.749 -2.732 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.864 1.588 -4.535 1.00 0.00 C ATOM 0 H THR A 22 -6.956 2.565 -3.634 1.00 0.00 H new ATOM 0 HA THR A 22 -8.803 0.275 -3.478 1.00 0.00 H new ATOM 0 HB THR A 22 -9.255 3.002 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.955 2.677 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.645 2.348 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.722 1.187 -5.538 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.158 0.783 -3.861 1.00 0.00 H new ATOM 342 N VAL A 23 -8.269 -0.410 -5.810 1.00 0.00 N ATOM 343 CA VAL A 23 -7.969 -0.848 -7.146 1.00 0.00 C ATOM 344 C VAL A 23 -9.106 -1.675 -7.648 1.00 0.00 C ATOM 345 O VAL A 23 -9.917 -2.164 -6.855 1.00 0.00 O ATOM 346 CB VAL A 23 -6.641 -1.672 -7.249 1.00 0.00 C ATOM 347 CG1 VAL A 23 -5.424 -0.817 -6.916 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.687 -2.907 -6.354 1.00 0.00 C ATOM 0 H VAL A 23 -8.657 -1.135 -5.206 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.828 0.046 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.546 -2.002 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.521 -1.422 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.365 0.019 -7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.514 -0.436 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.752 -3.459 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.826 -2.600 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.517 -3.546 -6.658 1.00 0.00 H new ATOM 358 N LYS A 24 -9.209 -1.798 -8.925 1.00 0.00 N ATOM 359 CA LYS A 24 -10.209 -2.616 -9.500 1.00 0.00 C ATOM 360 C LYS A 24 -9.511 -3.618 -10.380 1.00 0.00 C ATOM 361 O LYS A 24 -8.882 -3.249 -11.392 1.00 0.00 O ATOM 362 CB LYS A 24 -11.185 -1.774 -10.298 1.00 0.00 C ATOM 363 CG LYS A 24 -12.456 -2.519 -10.659 1.00 0.00 C ATOM 364 CD LYS A 24 -13.437 -1.638 -11.407 1.00 0.00 C ATOM 365 CE LYS A 24 -12.900 -1.199 -12.765 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.870 -0.347 -13.485 1.00 0.00 N ATOM 0 H LYS A 24 -8.600 -1.332 -9.598 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.785 -3.128 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.443 -0.885 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.699 -1.433 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.207 -3.386 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.926 -2.895 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.374 -2.178 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.663 -0.757 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.967 -0.653 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.670 -2.078 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.471 -0.067 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.752 -0.877 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.070 0.504 -12.921 1.00 0.00 H new ATOM 380 N LEU A 25 -9.567 -4.852 -10.005 1.00 0.00 N ATOM 381 CA LEU A 25 -8.850 -5.849 -10.723 1.00 0.00 C ATOM 382 C LEU A 25 -9.722 -7.024 -11.110 1.00 0.00 C ATOM 383 O LEU A 25 -10.872 -7.144 -10.665 1.00 0.00 O ATOM 384 CB LEU A 25 -7.548 -6.268 -9.967 1.00 0.00 C ATOM 385 CG LEU A 25 -7.652 -6.802 -8.519 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.333 -8.156 -8.458 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.272 -6.870 -7.877 1.00 0.00 C ATOM 0 H LEU A 25 -10.102 -5.193 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.532 -5.406 -11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.055 -7.035 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.886 -5.402 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.271 -6.102 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.384 -8.491 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.342 -8.074 -8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.764 -8.876 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.363 -7.248 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.634 -7.537 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.831 -5.874 -7.856 1.00 0.00 H new ATOM 399 N MET A 26 -9.180 -7.857 -11.945 1.00 0.00 N ATOM 400 CA MET A 26 -9.823 -9.043 -12.394 1.00 0.00 C ATOM 401 C MET A 26 -9.476 -10.146 -11.423 1.00 0.00 C ATOM 402 O MET A 26 -8.345 -10.641 -11.399 1.00 0.00 O ATOM 403 CB MET A 26 -9.350 -9.417 -13.803 1.00 0.00 C ATOM 404 CG MET A 26 -10.086 -10.608 -14.396 1.00 0.00 C ATOM 405 SD MET A 26 -9.553 -11.019 -16.070 1.00 0.00 S ATOM 406 CE MET A 26 -10.025 -9.532 -16.958 1.00 0.00 C ATOM 0 H MET A 26 -8.250 -7.722 -12.342 1.00 0.00 H new ATOM 0 HA MET A 26 -10.901 -8.890 -12.437 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.478 -8.557 -14.460 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.283 -9.638 -13.772 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.937 -11.475 -13.752 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.155 -10.397 -14.405 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.079 -9.747 -18.025 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.999 -9.192 -16.607 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.284 -8.752 -16.782 1.00 0.00 H new ATOM 416 N TYR A 27 -10.409 -10.473 -10.610 1.00 0.00 N ATOM 417 CA TYR A 27 -10.274 -11.474 -9.601 1.00 0.00 C ATOM 418 C TYR A 27 -10.917 -12.759 -10.079 1.00 0.00 C ATOM 419 O TYR A 27 -12.130 -12.864 -10.127 1.00 0.00 O ATOM 420 CB TYR A 27 -10.926 -10.959 -8.307 1.00 0.00 C ATOM 421 CG TYR A 27 -11.135 -12.017 -7.279 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.079 -12.729 -6.767 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.409 -12.319 -6.846 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.285 -13.721 -5.858 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.632 -13.299 -5.929 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.576 -14.004 -5.437 1.00 0.00 C ATOM 427 OH TYR A 27 -11.811 -15.007 -4.537 1.00 0.00 O ATOM 0 H TYR A 27 -11.331 -10.036 -10.624 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.223 -11.683 -9.399 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.301 -10.172 -7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.887 -10.506 -8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.074 -12.500 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.247 -11.766 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.450 -14.283 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.636 -13.515 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.188 -14.924 -3.785 1.00 0.00 H new ATOM 437 N LYS A 28 -10.088 -13.704 -10.492 1.00 0.00 N ATOM 438 CA LYS A 28 -10.532 -15.008 -11.011 1.00 0.00 C ATOM 439 C LYS A 28 -11.531 -14.839 -12.161 1.00 0.00 C ATOM 440 O LYS A 28 -12.441 -15.647 -12.353 1.00 0.00 O ATOM 441 CB LYS A 28 -11.100 -15.888 -9.891 1.00 0.00 C ATOM 442 CG LYS A 28 -10.081 -16.203 -8.805 1.00 0.00 C ATOM 443 CD LYS A 28 -10.570 -17.260 -7.826 1.00 0.00 C ATOM 444 CE LYS A 28 -11.895 -16.890 -7.191 1.00 0.00 C ATOM 445 NZ LYS A 28 -12.239 -17.808 -6.097 1.00 0.00 N ATOM 0 H LYS A 28 -9.074 -13.596 -10.480 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.658 -15.520 -11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.957 -15.386 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.465 -16.821 -10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.156 -16.545 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.845 -15.290 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.673 -18.213 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.823 -17.402 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.846 -15.870 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.681 -16.911 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.151 -17.528 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.309 -18.778 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.500 -17.769 -5.366 1.00 0.00 H new ATOM 459 N GLY A 29 -11.300 -13.818 -12.949 1.00 0.00 N ATOM 460 CA GLY A 29 -12.151 -13.514 -14.073 1.00 0.00 C ATOM 461 C GLY A 29 -13.261 -12.515 -13.766 1.00 0.00 C ATOM 462 O GLY A 29 -13.819 -11.930 -14.688 1.00 0.00 O ATOM 0 H GLY A 29 -10.517 -13.175 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.537 -13.120 -14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.600 -14.439 -14.435 1.00 0.00 H new ATOM 466 N GLN A 30 -13.552 -12.261 -12.500 1.00 0.00 N ATOM 467 CA GLN A 30 -14.597 -11.297 -12.173 1.00 0.00 C ATOM 468 C GLN A 30 -13.958 -9.953 -11.795 1.00 0.00 C ATOM 469 O GLN A 30 -13.027 -9.907 -10.987 1.00 0.00 O ATOM 470 CB GLN A 30 -15.559 -11.800 -11.042 1.00 0.00 C ATOM 471 CG GLN A 30 -14.941 -11.896 -9.646 1.00 0.00 C ATOM 472 CD GLN A 30 -15.912 -12.339 -8.560 1.00 0.00 C ATOM 473 OE1 GLN A 30 -16.851 -13.098 -8.798 1.00 0.00 O ATOM 474 NE2 GLN A 30 -15.693 -11.862 -7.354 1.00 0.00 N ATOM 0 H GLN A 30 -13.094 -12.695 -11.698 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.217 -11.170 -13.061 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.418 -11.130 -10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.937 -12.783 -11.321 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.106 -12.596 -9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.531 -10.923 -9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.906 -11.235 -7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.310 -12.119 -6.584 1.00 0.00 H new ATOM 483 N PRO A 31 -14.382 -8.854 -12.413 1.00 0.00 N ATOM 484 CA PRO A 31 -13.877 -7.536 -12.063 1.00 0.00 C ATOM 485 C PRO A 31 -14.430 -7.101 -10.705 1.00 0.00 C ATOM 486 O PRO A 31 -15.660 -7.069 -10.497 1.00 0.00 O ATOM 487 CB PRO A 31 -14.402 -6.634 -13.187 1.00 0.00 C ATOM 488 CG PRO A 31 -15.601 -7.338 -13.726 1.00 0.00 C ATOM 489 CD PRO A 31 -15.366 -8.808 -13.512 1.00 0.00 C ATOM 0 HA PRO A 31 -12.791 -7.501 -11.975 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.663 -5.645 -12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.648 -6.491 -13.961 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.506 -7.011 -13.213 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -15.737 -7.117 -14.785 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.288 -9.325 -13.245 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.982 -9.286 -14.413 1.00 0.00 H new ATOM 497 N MET A 32 -13.559 -6.817 -9.770 1.00 0.00 N ATOM 498 CA MET A 32 -13.988 -6.438 -8.467 1.00 0.00 C ATOM 499 C MET A 32 -13.107 -5.314 -7.923 1.00 0.00 C ATOM 500 O MET A 32 -11.899 -5.264 -8.201 1.00 0.00 O ATOM 501 CB MET A 32 -13.973 -7.670 -7.546 1.00 0.00 C ATOM 502 CG MET A 32 -14.652 -7.436 -6.224 1.00 0.00 C ATOM 503 SD MET A 32 -14.922 -8.943 -5.255 1.00 0.00 S ATOM 504 CE MET A 32 -13.251 -9.459 -4.909 1.00 0.00 C ATOM 0 H MET A 32 -12.547 -6.844 -9.897 1.00 0.00 H new ATOM 0 HA MET A 32 -15.008 -6.057 -8.512 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.462 -8.501 -8.055 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.940 -7.969 -7.368 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.051 -6.742 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.613 -6.954 -6.402 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.268 -10.375 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 32 -12.725 -9.641 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.737 -8.677 -4.350 1.00 0.00 H new ATOM 514 N THR A 33 -13.725 -4.400 -7.210 1.00 0.00 N ATOM 515 CA THR A 33 -13.053 -3.293 -6.583 1.00 0.00 C ATOM 516 C THR A 33 -12.534 -3.745 -5.213 1.00 0.00 C ATOM 517 O THR A 33 -13.216 -4.479 -4.517 1.00 0.00 O ATOM 518 CB THR A 33 -14.064 -2.142 -6.404 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.668 -1.851 -7.681 1.00 0.00 O ATOM 520 CG2 THR A 33 -13.391 -0.889 -5.874 1.00 0.00 C ATOM 0 H THR A 33 -14.732 -4.409 -7.048 1.00 0.00 H new ATOM 0 HA THR A 33 -12.217 -2.954 -7.195 1.00 0.00 H new ATOM 0 HB THR A 33 -14.818 -2.454 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.314 -1.121 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.132 -0.098 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.936 -1.102 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.621 -0.566 -6.574 1.00 0.00 H new ATOM 528 N PHE A 34 -11.332 -3.356 -4.873 1.00 0.00 N ATOM 529 CA PHE A 34 -10.704 -3.720 -3.602 1.00 0.00 C ATOM 530 C PHE A 34 -10.338 -2.490 -2.787 1.00 0.00 C ATOM 531 O PHE A 34 -10.078 -1.426 -3.353 1.00 0.00 O ATOM 532 CB PHE A 34 -9.410 -4.520 -3.855 1.00 0.00 C ATOM 533 CG PHE A 34 -9.593 -5.942 -4.313 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.209 -6.241 -5.509 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.132 -6.981 -3.532 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.368 -7.540 -5.910 1.00 0.00 C ATOM 537 CE2 PHE A 34 -9.286 -8.284 -3.934 1.00 0.00 C ATOM 538 CZ PHE A 34 -9.902 -8.563 -5.123 1.00 0.00 C ATOM 0 H PHE A 34 -10.745 -2.771 -5.468 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.428 -4.320 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.820 -3.991 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.825 -4.528 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.571 -5.441 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.644 -6.767 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.860 -7.760 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.921 -9.088 -3.312 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.022 -9.588 -5.442 1.00 0.00 H new ATOM 548 N ARG A 35 -10.359 -2.642 -1.469 1.00 0.00 N ATOM 549 CA ARG A 35 -9.829 -1.650 -0.526 1.00 0.00 C ATOM 550 C ARG A 35 -9.243 -2.359 0.648 1.00 0.00 C ATOM 551 O ARG A 35 -9.545 -3.516 0.905 1.00 0.00 O ATOM 552 CB ARG A 35 -10.835 -0.632 0.040 1.00 0.00 C ATOM 553 CG ARG A 35 -11.243 0.499 -0.864 1.00 0.00 C ATOM 554 CD ARG A 35 -11.612 1.735 -0.029 1.00 0.00 C ATOM 555 NE ARG A 35 -10.418 2.397 0.546 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.362 3.108 1.698 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.413 3.187 2.495 1.00 0.00 N ATOM 558 NH2 ARG A 35 -9.229 3.743 2.036 1.00 0.00 N ATOM 0 H ARG A 35 -10.749 -3.467 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.110 -1.084 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.735 -1.172 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.410 -0.204 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.428 0.741 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.093 0.197 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.154 2.445 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.285 1.440 0.776 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.548 2.308 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.279 2.709 2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.358 3.725 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.413 3.690 1.426 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.184 4.279 2.903 1.00 0.00 H new ATOM 572 N LEU A 36 -8.410 -1.680 1.358 1.00 0.00 N ATOM 573 CA LEU A 36 -7.860 -2.206 2.565 1.00 0.00 C ATOM 574 C LEU A 36 -8.325 -1.376 3.715 1.00 0.00 C ATOM 575 O LEU A 36 -8.660 -0.214 3.548 1.00 0.00 O ATOM 576 CB LEU A 36 -6.330 -2.274 2.537 1.00 0.00 C ATOM 577 CG LEU A 36 -5.682 -3.424 1.751 1.00 0.00 C ATOM 578 CD1 LEU A 36 -6.137 -4.771 2.290 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.934 -3.309 0.248 1.00 0.00 C ATOM 0 H LEU A 36 -8.088 -0.742 1.120 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.212 -3.232 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.960 -1.335 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.978 -2.331 3.567 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.604 -3.348 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.665 -5.570 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.852 -4.858 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.220 -4.852 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.457 -4.144 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.007 -3.330 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.518 -2.371 -0.120 1.00 0.00 H new ATOM 591 N LEU A 37 -8.378 -1.972 4.867 1.00 0.00 N ATOM 592 CA LEU A 37 -8.809 -1.260 6.041 1.00 0.00 C ATOM 593 C LEU A 37 -7.605 -0.917 6.909 1.00 0.00 C ATOM 594 O LEU A 37 -7.647 -0.005 7.715 1.00 0.00 O ATOM 595 CB LEU A 37 -9.827 -2.107 6.798 1.00 0.00 C ATOM 596 CG LEU A 37 -10.531 -1.451 7.984 1.00 0.00 C ATOM 597 CD1 LEU A 37 -11.281 -0.195 7.553 1.00 0.00 C ATOM 598 CD2 LEU A 37 -11.485 -2.438 8.599 1.00 0.00 C ATOM 0 H LEU A 37 -8.129 -2.949 5.024 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.289 -0.323 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.589 -2.433 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.321 -3.003 7.158 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.781 -1.155 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.772 0.250 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.578 0.520 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.030 -0.457 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.991 -1.975 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.224 -2.741 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.933 -3.314 8.940 1.00 0.00 H new ATOM 610 N LEU A 38 -6.516 -1.645 6.701 1.00 0.00 N ATOM 611 CA LEU A 38 -5.291 -1.409 7.453 1.00 0.00 C ATOM 612 C LEU A 38 -4.541 -0.227 6.878 1.00 0.00 C ATOM 613 O LEU A 38 -3.784 0.414 7.572 1.00 0.00 O ATOM 614 CB LEU A 38 -4.347 -2.644 7.478 1.00 0.00 C ATOM 615 CG LEU A 38 -4.777 -3.908 8.252 1.00 0.00 C ATOM 616 CD1 LEU A 38 -4.926 -3.635 9.723 1.00 0.00 C ATOM 617 CD2 LEU A 38 -6.032 -4.536 7.674 1.00 0.00 C ATOM 0 H LEU A 38 -6.456 -2.402 6.020 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.596 -1.205 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.166 -2.939 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.392 -2.318 7.889 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.974 -4.636 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.230 -4.549 10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.974 -3.292 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.683 -2.866 9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.295 -5.422 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.851 -3.818 7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.853 -4.820 6.637 1.00 0.00 H new ATOM 629 N VAL A 39 -4.764 0.063 5.610 1.00 0.00 N ATOM 630 CA VAL A 39 -4.085 1.168 4.966 1.00 0.00 C ATOM 631 C VAL A 39 -5.084 2.117 4.381 1.00 0.00 C ATOM 632 O VAL A 39 -6.138 1.699 3.902 1.00 0.00 O ATOM 633 CB VAL A 39 -3.057 0.735 3.863 1.00 0.00 C ATOM 634 CG1 VAL A 39 -1.991 -0.135 4.444 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.718 0.022 2.692 1.00 0.00 C ATOM 0 H VAL A 39 -5.408 -0.450 5.008 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.505 1.657 5.749 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.612 1.653 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.290 -0.423 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.460 0.411 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.444 -1.029 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.960 -0.255 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.221 -0.876 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.447 0.685 2.227 1.00 0.00 H new ATOM 645 N ASP A 40 -4.777 3.369 4.453 1.00 0.00 N ATOM 646 CA ASP A 40 -5.621 4.393 3.898 1.00 0.00 C ATOM 647 C ASP A 40 -4.720 5.397 3.200 1.00 0.00 C ATOM 648 O ASP A 40 -3.812 5.988 3.829 1.00 0.00 O ATOM 649 CB ASP A 40 -6.447 5.060 5.015 1.00 0.00 C ATOM 650 CG ASP A 40 -7.579 5.927 4.498 1.00 0.00 C ATOM 651 OD1 ASP A 40 -8.664 5.378 4.171 1.00 0.00 O ATOM 652 OD2 ASP A 40 -7.434 7.169 4.450 1.00 0.00 O ATOM 0 H ASP A 40 -3.930 3.721 4.900 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.328 3.973 3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.860 4.286 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.785 5.670 5.630 1.00 0.00 H new ATOM 657 N THR A 41 -4.894 5.531 1.913 1.00 0.00 N ATOM 658 CA THR A 41 -4.074 6.420 1.115 1.00 0.00 C ATOM 659 C THR A 41 -4.607 7.865 1.167 1.00 0.00 C ATOM 660 O THR A 41 -5.763 8.065 1.527 1.00 0.00 O ATOM 661 CB THR A 41 -3.908 5.873 -0.338 1.00 0.00 C ATOM 662 OG1 THR A 41 -5.179 5.520 -0.927 1.00 0.00 O ATOM 663 CG2 THR A 41 -2.990 4.657 -0.323 1.00 0.00 C ATOM 0 H THR A 41 -5.606 5.030 1.382 1.00 0.00 H new ATOM 0 HA THR A 41 -3.073 6.453 1.545 1.00 0.00 H new ATOM 0 HB THR A 41 -3.470 6.664 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.803 5.251 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.875 4.276 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.014 4.942 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.423 3.882 0.309 1.00 0.00 H new ATOM 671 N PRO A 42 -3.769 8.899 0.841 1.00 0.00 N ATOM 672 CA PRO A 42 -4.143 10.341 0.965 1.00 0.00 C ATOM 673 C PRO A 42 -5.261 10.831 0.013 1.00 0.00 C ATOM 674 O PRO A 42 -5.255 11.980 -0.407 1.00 0.00 O ATOM 675 CB PRO A 42 -2.827 11.070 0.648 1.00 0.00 C ATOM 676 CG PRO A 42 -2.067 10.115 -0.195 1.00 0.00 C ATOM 677 CD PRO A 42 -2.374 8.761 0.363 1.00 0.00 C ATOM 0 HA PRO A 42 -4.563 10.531 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.009 12.007 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.281 11.317 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.369 10.187 -1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.998 10.322 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.283 7.983 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.695 8.496 1.174 1.00 0.00 H new ATOM 910 N GLU A 57 2.419 9.989 -6.409 1.00 0.00 N ATOM 911 CA GLU A 57 1.176 9.575 -5.817 1.00 0.00 C ATOM 912 C GLU A 57 1.115 8.098 -5.564 1.00 0.00 C ATOM 913 O GLU A 57 1.752 7.303 -6.263 1.00 0.00 O ATOM 914 CB GLU A 57 -0.038 10.032 -6.613 1.00 0.00 C ATOM 915 CG GLU A 57 -0.688 11.266 -6.030 1.00 0.00 C ATOM 916 CD GLU A 57 -1.049 11.063 -4.569 1.00 0.00 C ATOM 917 OE1 GLU A 57 -1.345 9.920 -4.162 1.00 0.00 O ATOM 918 OE2 GLU A 57 -0.980 12.036 -3.780 1.00 0.00 O ATOM 0 HA GLU A 57 1.143 10.076 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.262 10.236 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.769 9.224 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.011 12.115 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.586 11.509 -6.598 1.00 0.00 H new ATOM 925 N ALA A 58 0.308 7.735 -4.587 1.00 0.00 N ATOM 926 CA ALA A 58 0.150 6.368 -4.165 1.00 0.00 C ATOM 927 C ALA A 58 -0.514 5.568 -5.260 1.00 0.00 C ATOM 928 O ALA A 58 -0.101 4.472 -5.558 1.00 0.00 O ATOM 929 CB ALA A 58 -0.680 6.310 -2.893 1.00 0.00 C ATOM 0 H ALA A 58 -0.263 8.396 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 58 1.132 5.940 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.795 5.272 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.179 6.873 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.663 6.744 -3.080 1.00 0.00 H new ATOM 935 N SER A 59 -1.504 6.182 -5.899 1.00 0.00 N ATOM 936 CA SER A 59 -2.285 5.545 -6.946 1.00 0.00 C ATOM 937 C SER A 59 -1.388 5.095 -8.099 1.00 0.00 C ATOM 938 O SER A 59 -1.541 3.993 -8.621 1.00 0.00 O ATOM 939 CB SER A 59 -3.367 6.520 -7.443 1.00 0.00 C ATOM 940 OG SER A 59 -4.281 5.894 -8.330 1.00 0.00 O ATOM 0 H SER A 59 -1.787 7.142 -5.702 1.00 0.00 H new ATOM 0 HA SER A 59 -2.766 4.656 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.910 6.924 -6.589 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.892 7.362 -7.947 1.00 0.00 H new ATOM 0 HG SER A 59 -4.952 6.546 -8.621 1.00 0.00 H new ATOM 946 N ALA A 60 -0.431 5.934 -8.448 1.00 0.00 N ATOM 947 CA ALA A 60 0.480 5.657 -9.532 1.00 0.00 C ATOM 948 C ALA A 60 1.486 4.601 -9.128 1.00 0.00 C ATOM 949 O ALA A 60 1.841 3.738 -9.932 1.00 0.00 O ATOM 950 CB ALA A 60 1.187 6.928 -9.953 1.00 0.00 C ATOM 0 H ALA A 60 -0.267 6.827 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.092 5.276 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.873 6.709 -10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.451 7.662 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.747 7.330 -9.109 1.00 0.00 H new ATOM 956 N PHE A 61 1.917 4.663 -7.874 1.00 0.00 N ATOM 957 CA PHE A 61 2.891 3.730 -7.340 1.00 0.00 C ATOM 958 C PHE A 61 2.292 2.324 -7.349 1.00 0.00 C ATOM 959 O PHE A 61 2.890 1.389 -7.903 1.00 0.00 O ATOM 960 CB PHE A 61 3.282 4.142 -5.919 1.00 0.00 C ATOM 961 CG PHE A 61 4.514 3.457 -5.372 1.00 0.00 C ATOM 962 CD1 PHE A 61 4.434 2.225 -4.743 1.00 0.00 C ATOM 963 CD2 PHE A 61 5.751 4.073 -5.465 1.00 0.00 C ATOM 964 CE1 PHE A 61 5.561 1.621 -4.222 1.00 0.00 C ATOM 965 CE2 PHE A 61 6.882 3.475 -4.949 1.00 0.00 C ATOM 966 CZ PHE A 61 6.787 2.247 -4.324 1.00 0.00 C ATOM 0 H PHE A 61 1.599 5.362 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 61 3.790 3.738 -7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.445 5.220 -5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.444 3.936 -5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.477 1.731 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.831 5.035 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.483 0.660 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.840 3.966 -5.034 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.670 1.778 -3.916 1.00 0.00 H new ATOM 976 N THR A 62 1.093 2.203 -6.764 1.00 0.00 N ATOM 977 CA THR A 62 0.340 0.959 -6.730 1.00 0.00 C ATOM 978 C THR A 62 0.163 0.415 -8.153 1.00 0.00 C ATOM 979 O THR A 62 0.509 -0.740 -8.441 1.00 0.00 O ATOM 980 CB THR A 62 -1.070 1.209 -6.125 1.00 0.00 C ATOM 981 OG1 THR A 62 -0.951 1.839 -4.846 1.00 0.00 O ATOM 982 CG2 THR A 62 -1.847 -0.091 -5.969 1.00 0.00 C ATOM 0 H THR A 62 0.621 2.978 -6.299 1.00 0.00 H new ATOM 0 HA THR A 62 0.888 0.241 -6.120 1.00 0.00 H new ATOM 0 HB THR A 62 -1.613 1.859 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.792 1.740 -4.353 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.828 0.120 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.968 -0.562 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.302 -0.764 -5.307 1.00 0.00 H new ATOM 990 N LYS A 63 -0.316 1.284 -9.038 1.00 0.00 N ATOM 991 CA LYS A 63 -0.614 0.943 -10.413 1.00 0.00 C ATOM 992 C LYS A 63 0.605 0.374 -11.130 1.00 0.00 C ATOM 993 O LYS A 63 0.581 -0.751 -11.608 1.00 0.00 O ATOM 994 CB LYS A 63 -1.127 2.186 -11.151 1.00 0.00 C ATOM 995 CG LYS A 63 -1.523 1.945 -12.598 1.00 0.00 C ATOM 996 CD LYS A 63 -1.980 3.227 -13.261 1.00 0.00 C ATOM 997 CE LYS A 63 -2.349 2.991 -14.710 1.00 0.00 C ATOM 998 NZ LYS A 63 -2.759 4.231 -15.393 1.00 0.00 N ATOM 0 H LYS A 63 -0.509 2.259 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.384 0.171 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.989 2.582 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.354 2.954 -11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.676 1.531 -13.145 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.322 1.205 -12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.839 3.631 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.188 3.973 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.498 2.556 -15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.160 2.265 -14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.002 4.019 -16.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.588 4.635 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.977 4.916 -15.368 1.00 0.00 H new ATOM 1012 N LYS A 64 1.678 1.123 -11.146 1.00 0.00 N ATOM 1013 CA LYS A 64 2.846 0.732 -11.900 1.00 0.00 C ATOM 1014 C LYS A 64 3.518 -0.530 -11.363 1.00 0.00 C ATOM 1015 O LYS A 64 4.007 -1.349 -12.145 1.00 0.00 O ATOM 1016 CB LYS A 64 3.821 1.894 -12.049 1.00 0.00 C ATOM 1017 CG LYS A 64 3.224 3.051 -12.842 1.00 0.00 C ATOM 1018 CD LYS A 64 4.191 4.205 -13.000 1.00 0.00 C ATOM 1019 CE LYS A 64 3.573 5.334 -13.814 1.00 0.00 C ATOM 1020 NZ LYS A 64 3.160 4.900 -15.177 1.00 0.00 N ATOM 0 H LYS A 64 1.769 2.007 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 64 2.498 0.466 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.116 2.247 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.726 1.545 -12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.924 2.695 -13.828 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.322 3.403 -12.342 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.480 4.578 -12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.101 3.856 -13.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.705 5.726 -13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.290 6.150 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.970 5.737 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.922 4.339 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.299 4.321 -15.111 1.00 0.00 H new ATOM 1034 N MET A 65 3.499 -0.732 -10.058 1.00 0.00 N ATOM 1035 CA MET A 65 4.138 -1.923 -9.510 1.00 0.00 C ATOM 1036 C MET A 65 3.318 -3.180 -9.791 1.00 0.00 C ATOM 1037 O MET A 65 3.873 -4.238 -10.074 1.00 0.00 O ATOM 1038 CB MET A 65 4.487 -1.801 -8.013 1.00 0.00 C ATOM 1039 CG MET A 65 3.307 -1.732 -7.051 1.00 0.00 C ATOM 1040 SD MET A 65 3.823 -1.597 -5.321 1.00 0.00 S ATOM 1041 CE MET A 65 4.795 -3.092 -5.116 1.00 0.00 C ATOM 0 H MET A 65 3.065 -0.112 -9.374 1.00 0.00 H new ATOM 0 HA MET A 65 5.090 -2.015 -10.033 1.00 0.00 H new ATOM 0 HB2 MET A 65 5.106 -2.654 -7.735 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.095 -0.907 -7.875 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.684 -0.875 -7.308 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.691 -2.623 -7.174 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.967 -3.272 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.257 -3.937 -5.545 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.752 -2.976 -5.624 1.00 0.00 H new ATOM 1051 N VAL A 66 1.999 -3.057 -9.766 1.00 0.00 N ATOM 1052 CA VAL A 66 1.152 -4.219 -10.022 1.00 0.00 C ATOM 1053 C VAL A 66 1.085 -4.557 -11.511 1.00 0.00 C ATOM 1054 O VAL A 66 0.939 -5.718 -11.880 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.294 -4.105 -9.433 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.272 -3.913 -7.937 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.093 -3.006 -10.090 1.00 0.00 C ATOM 0 H VAL A 66 1.499 -2.188 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 66 1.641 -5.035 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.788 -5.052 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.294 -3.838 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.224 -4.763 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.270 -2.999 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.089 -2.966 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.590 -2.051 -9.939 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.178 -3.207 -11.158 1.00 0.00 H new ATOM 1067 N GLU A 67 1.220 -3.557 -12.371 1.00 0.00 N ATOM 1068 CA GLU A 67 1.122 -3.812 -13.794 1.00 0.00 C ATOM 1069 C GLU A 67 2.384 -4.467 -14.339 1.00 0.00 C ATOM 1070 O GLU A 67 2.319 -5.295 -15.253 1.00 0.00 O ATOM 1071 CB GLU A 67 0.800 -2.567 -14.587 1.00 0.00 C ATOM 1072 CG GLU A 67 -0.494 -1.911 -14.193 1.00 0.00 C ATOM 1073 CD GLU A 67 -0.938 -0.880 -15.180 1.00 0.00 C ATOM 1074 OE1 GLU A 67 -0.229 0.147 -15.380 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -2.009 -1.076 -15.797 1.00 0.00 O ATOM 0 H GLU A 67 1.393 -2.585 -12.114 1.00 0.00 H new ATOM 0 HA GLU A 67 0.290 -4.506 -13.915 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.612 -1.850 -14.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.758 -2.823 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.268 -2.672 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.378 -1.446 -13.214 1.00 0.00 H new ATOM 1082 N ASN A 68 3.526 -4.122 -13.769 1.00 0.00 N ATOM 1083 CA ASN A 68 4.804 -4.705 -14.210 1.00 0.00 C ATOM 1084 C ASN A 68 4.980 -6.105 -13.649 1.00 0.00 C ATOM 1085 O ASN A 68 5.782 -6.910 -14.158 1.00 0.00 O ATOM 1086 CB ASN A 68 6.008 -3.814 -13.847 1.00 0.00 C ATOM 1087 CG ASN A 68 6.148 -2.585 -14.743 1.00 0.00 C ATOM 1088 OD1 ASN A 68 6.799 -2.631 -15.789 1.00 0.00 O ATOM 1089 ND2 ASN A 68 5.575 -1.482 -14.343 1.00 0.00 N ATOM 0 H ASN A 68 3.606 -3.449 -13.007 1.00 0.00 H new ATOM 0 HA ASN A 68 4.769 -4.768 -15.298 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.911 -3.489 -12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.921 -4.406 -13.911 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.661 -0.632 -14.900 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.042 -1.471 -13.474 1.00 0.00 H new ATOM 1096 N ALA A 69 4.208 -6.395 -12.623 1.00 0.00 N ATOM 1097 CA ALA A 69 4.195 -7.667 -11.974 1.00 0.00 C ATOM 1098 C ALA A 69 3.623 -8.716 -12.892 1.00 0.00 C ATOM 1099 O ALA A 69 2.684 -8.452 -13.651 1.00 0.00 O ATOM 1100 CB ALA A 69 3.361 -7.577 -10.724 1.00 0.00 C ATOM 0 H ALA A 69 3.557 -5.725 -12.214 1.00 0.00 H new ATOM 0 HA ALA A 69 5.216 -7.948 -11.716 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.348 -8.546 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.788 -6.830 -10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.343 -7.290 -10.986 1.00 0.00 H new ATOM 1106 N LYS A 70 4.190 -9.886 -12.861 1.00 0.00 N ATOM 1107 CA LYS A 70 3.710 -10.949 -13.685 1.00 0.00 C ATOM 1108 C LYS A 70 2.582 -11.678 -13.003 1.00 0.00 C ATOM 1109 O LYS A 70 1.524 -11.889 -13.596 1.00 0.00 O ATOM 1110 CB LYS A 70 4.838 -11.892 -14.058 1.00 0.00 C ATOM 1111 CG LYS A 70 5.991 -11.204 -14.772 1.00 0.00 C ATOM 1112 CD LYS A 70 5.521 -10.403 -15.988 1.00 0.00 C ATOM 1113 CE LYS A 70 6.667 -9.635 -16.615 1.00 0.00 C ATOM 1114 NZ LYS A 70 7.307 -8.707 -15.652 1.00 0.00 N ATOM 0 H LYS A 70 4.987 -10.126 -12.272 1.00 0.00 H new ATOM 0 HA LYS A 70 3.320 -10.523 -14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.214 -12.371 -13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.444 -12.682 -14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.502 -10.539 -14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.717 -11.952 -15.090 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.086 -11.078 -16.725 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.736 -9.709 -15.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.411 -10.337 -16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.299 -9.071 -17.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.849 -7.987 -16.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.574 -8.242 -15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.948 -9.240 -15.030 1.00 0.00 H new ATOM 1128 N LYS A 71 2.796 -12.044 -11.768 1.00 0.00 N ATOM 1129 CA LYS A 71 1.772 -12.704 -10.996 1.00 0.00 C ATOM 1130 C LYS A 71 1.171 -11.755 -9.980 1.00 0.00 C ATOM 1131 O LYS A 71 1.885 -11.140 -9.195 1.00 0.00 O ATOM 1132 CB LYS A 71 2.282 -13.969 -10.284 1.00 0.00 C ATOM 1133 CG LYS A 71 3.519 -13.765 -9.416 1.00 0.00 C ATOM 1134 CD LYS A 71 3.531 -14.711 -8.217 1.00 0.00 C ATOM 1135 CE LYS A 71 3.412 -16.174 -8.616 1.00 0.00 C ATOM 1136 NZ LYS A 71 3.224 -17.043 -7.434 1.00 0.00 N ATOM 0 H LYS A 71 3.674 -11.896 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 71 1.006 -13.015 -11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.480 -14.365 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.505 -14.726 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.415 -13.926 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.552 -12.733 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.454 -14.567 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.709 -14.454 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.572 -16.299 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.309 -16.480 -9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.864 -17.970 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.134 -17.168 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.542 -16.603 -6.784 1.00 0.00 H new ATOM 1150 N ILE A 72 -0.108 -11.589 -10.028 1.00 0.00 N ATOM 1151 CA ILE A 72 -0.793 -10.810 -9.042 1.00 0.00 C ATOM 1152 C ILE A 72 -1.661 -11.746 -8.229 1.00 0.00 C ATOM 1153 O ILE A 72 -2.455 -12.507 -8.791 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.658 -9.699 -9.692 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -0.773 -8.850 -10.613 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.321 -8.829 -8.616 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.463 -7.664 -11.245 1.00 0.00 C ATOM 0 H ILE A 72 -0.710 -11.987 -10.749 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.064 -10.311 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.453 -10.156 -10.280 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.082 -8.491 -10.041 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.381 -9.488 -11.405 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.923 -8.056 -9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.960 -9.450 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.552 -8.362 -8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.757 -7.127 -11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.301 -8.010 -11.850 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.830 -6.998 -10.464 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.480 -11.734 -6.935 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.239 -12.597 -6.061 1.00 0.00 C ATOM 1171 C GLU A 73 -2.837 -11.771 -4.968 1.00 0.00 C ATOM 1172 O GLU A 73 -2.209 -10.837 -4.474 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.377 -13.716 -5.451 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.658 -14.583 -6.485 1.00 0.00 C ATOM 1175 CD GLU A 73 0.101 -15.716 -5.861 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -0.528 -16.576 -5.217 1.00 0.00 O ATOM 1177 OE2 GLU A 73 1.336 -15.792 -6.013 1.00 0.00 O ATOM 0 H GLU A 73 -0.809 -11.132 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.018 -13.077 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.636 -13.269 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.011 -14.354 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.388 -14.984 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.030 -13.962 -7.059 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.032 -12.084 -4.609 1.00 0.00 N ATOM 1185 CA VAL A 74 -4.734 -11.368 -3.583 1.00 0.00 C ATOM 1186 C VAL A 74 -4.848 -12.239 -2.329 1.00 0.00 C ATOM 1187 O VAL A 74 -5.250 -13.394 -2.415 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.156 -10.926 -4.078 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.042 -9.986 -5.245 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -6.986 -12.109 -4.515 1.00 0.00 C ATOM 0 H VAL A 74 -4.563 -12.852 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.171 -10.467 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.641 -10.433 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.039 -9.691 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.482 -9.100 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.523 -10.484 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.964 -11.763 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.483 -12.624 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.112 -12.795 -3.677 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.426 -11.730 -1.200 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.576 -12.462 0.037 1.00 0.00 C ATOM 1202 C GLU A 75 -5.627 -11.775 0.869 1.00 0.00 C ATOM 1203 O GLU A 75 -5.400 -10.699 1.401 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.248 -12.544 0.796 1.00 0.00 C ATOM 1205 CG GLU A 75 -3.281 -13.423 2.053 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.908 -13.602 2.681 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.304 -12.617 3.146 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -1.390 -14.735 2.694 1.00 0.00 O ATOM 0 H GLU A 75 -3.978 -10.818 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.883 -13.485 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.483 -12.927 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.946 -11.536 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.955 -12.978 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.689 -14.401 1.797 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.755 -12.401 0.982 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.894 -11.825 1.675 1.00 0.00 C ATOM 1217 C PHE A 76 -7.732 -11.944 3.163 1.00 0.00 C ATOM 1218 O PHE A 76 -7.244 -12.954 3.619 1.00 0.00 O ATOM 1219 CB PHE A 76 -9.169 -12.503 1.216 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.458 -12.292 -0.226 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -9.971 -11.091 -0.662 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.231 -13.291 -1.144 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.251 -10.882 -1.988 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.509 -13.089 -2.473 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.023 -11.880 -2.896 1.00 0.00 C ATOM 0 H PHE A 76 -6.926 -13.331 0.599 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.952 -10.764 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.095 -13.573 1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.005 -12.128 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.156 -10.301 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.832 -14.240 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.650 -9.933 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.325 -13.877 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.245 -11.722 -3.941 1.00 0.00 H new ATOM 1235 N ASP A 77 -8.137 -10.901 3.898 1.00 0.00 N ATOM 1236 CA ASP A 77 -8.009 -10.834 5.371 1.00 0.00 C ATOM 1237 C ASP A 77 -9.353 -10.274 5.939 1.00 0.00 C ATOM 1238 O ASP A 77 -10.307 -10.108 5.177 1.00 0.00 O ATOM 1239 CB ASP A 77 -6.792 -9.942 5.737 1.00 0.00 C ATOM 1240 CG ASP A 77 -6.236 -10.047 7.168 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -6.937 -10.525 8.063 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -5.030 -9.678 7.393 1.00 0.00 O ATOM 0 H ASP A 77 -8.567 -10.071 3.491 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.829 -11.816 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.984 -10.176 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.072 -8.903 5.561 1.00 0.00 H new ATOM 1247 N LYS A 78 -9.419 -9.968 7.268 1.00 0.00 N ATOM 1248 CA LYS A 78 -10.674 -9.649 8.063 1.00 0.00 C ATOM 1249 C LYS A 78 -11.347 -10.905 8.308 1.00 0.00 C ATOM 1250 O LYS A 78 -12.448 -10.977 8.858 1.00 0.00 O ATOM 1251 CB LYS A 78 -11.632 -8.696 7.329 1.00 0.00 C ATOM 1252 CG LYS A 78 -12.948 -8.268 8.053 1.00 0.00 C ATOM 1253 CD LYS A 78 -12.742 -7.334 9.240 1.00 0.00 C ATOM 1254 CE LYS A 78 -12.662 -5.857 8.830 1.00 0.00 C ATOM 1255 NZ LYS A 78 -13.955 -5.322 8.309 1.00 0.00 N ATOM 0 H LYS A 78 -8.580 -9.932 7.847 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.384 -9.141 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.077 -7.790 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.909 -9.165 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.602 -7.779 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.466 -9.163 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.562 -7.466 9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.825 -7.612 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.351 -5.264 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.893 -5.739 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.124 -4.376 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.912 -5.260 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.730 -5.957 8.586 1.00 0.00 H new ATOM 1269 N GLY A 79 -10.722 -11.928 7.876 1.00 0.00 N ATOM 1270 CA GLY A 79 -11.389 -13.137 7.919 1.00 0.00 C ATOM 1271 C GLY A 79 -12.412 -13.158 6.796 1.00 0.00 C ATOM 1272 O GLY A 79 -13.267 -14.058 6.724 1.00 0.00 O ATOM 0 H GLY A 79 -9.774 -11.943 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.686 -13.963 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.881 -13.265 8.883 1.00 0.00 H new ATOM 1276 N GLN A 80 -12.367 -12.096 5.949 1.00 0.00 N ATOM 1277 CA GLN A 80 -13.318 -11.950 4.902 1.00 0.00 C ATOM 1278 C GLN A 80 -12.639 -11.911 3.560 1.00 0.00 C ATOM 1279 O GLN A 80 -11.451 -12.183 3.438 1.00 0.00 O ATOM 1280 CB GLN A 80 -14.165 -10.677 5.105 1.00 0.00 C ATOM 1281 CG GLN A 80 -15.008 -10.702 6.368 1.00 0.00 C ATOM 1282 CD GLN A 80 -15.962 -9.519 6.522 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -15.636 -8.382 5.959 1.00 0.00 O flip ATOM 1284 NE2 GLN A 80 -17.012 -9.647 7.142 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.672 -11.351 6.000 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.979 -12.816 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.503 -9.812 5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.820 -10.545 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.589 -11.624 6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.344 -10.730 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.244 -10.542 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.653 -8.858 7.228 1.00 0.00 H new ATOM 1293 N ARG A 81 -13.410 -11.602 2.572 1.00 0.00 N ATOM 1294 CA ARG A 81 -12.934 -11.473 1.234 1.00 0.00 C ATOM 1295 C ARG A 81 -13.375 -10.144 0.643 1.00 0.00 C ATOM 1296 O ARG A 81 -12.680 -9.549 -0.167 1.00 0.00 O ATOM 1297 CB ARG A 81 -13.393 -12.677 0.406 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.090 -12.582 -1.062 1.00 0.00 C ATOM 1299 CD ARG A 81 -12.952 -13.947 -1.676 1.00 0.00 C ATOM 1300 NE ARG A 81 -14.121 -14.790 -1.477 1.00 0.00 N ATOM 1301 CZ ARG A 81 -14.113 -16.119 -1.644 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -13.017 -16.730 -2.109 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -15.194 -16.835 -1.346 1.00 0.00 N ATOM 0 H ARG A 81 -14.410 -11.428 2.673 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.844 -11.470 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.920 -13.575 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.468 -12.800 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.885 -12.032 -1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.169 -12.018 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.768 -13.840 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.079 -14.442 -1.251 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.994 -14.345 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.186 -16.184 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.012 -17.742 -2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.030 -16.372 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.187 -17.847 -1.474 1.00 0.00 H new ATOM 1317 N THR A 82 -14.496 -9.664 1.086 1.00 0.00 N ATOM 1318 CA THR A 82 -15.034 -8.412 0.653 1.00 0.00 C ATOM 1319 C THR A 82 -15.629 -7.742 1.860 1.00 0.00 C ATOM 1320 O THR A 82 -16.060 -8.436 2.789 1.00 0.00 O ATOM 1321 CB THR A 82 -16.126 -8.619 -0.443 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.047 -9.655 -0.039 1.00 0.00 O ATOM 1323 CG2 THR A 82 -15.517 -8.987 -1.784 1.00 0.00 C ATOM 0 H THR A 82 -15.076 -10.143 1.775 1.00 0.00 H new ATOM 0 HA THR A 82 -14.249 -7.798 0.212 1.00 0.00 H new ATOM 0 HB THR A 82 -16.655 -7.673 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.729 -9.775 -0.733 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.310 -9.122 -2.519 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.850 -8.189 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 82 -14.952 -9.914 -1.685 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.607 -6.442 1.916 1.00 0.00 N ATOM 1332 CA ASP A 83 -16.231 -5.773 3.049 1.00 0.00 C ATOM 1333 C ASP A 83 -17.675 -5.414 2.690 1.00 0.00 C ATOM 1334 O ASP A 83 -18.141 -5.753 1.597 1.00 0.00 O ATOM 1335 CB ASP A 83 -15.444 -4.536 3.456 1.00 0.00 C ATOM 1336 CG ASP A 83 -15.663 -4.184 4.918 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -14.964 -4.740 5.807 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -16.556 -3.376 5.216 1.00 0.00 O ATOM 0 H ASP A 83 -15.181 -5.829 1.221 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.234 -6.448 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.382 -4.706 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.741 -3.694 2.831 1.00 0.00 H new ATOM 1343 N LYS A 84 -18.357 -4.686 3.564 1.00 0.00 N ATOM 1344 CA LYS A 84 -19.773 -4.342 3.393 1.00 0.00 C ATOM 1345 C LYS A 84 -20.019 -3.497 2.152 1.00 0.00 C ATOM 1346 O LYS A 84 -21.099 -3.531 1.569 1.00 0.00 O ATOM 1347 CB LYS A 84 -20.303 -3.620 4.626 1.00 0.00 C ATOM 1348 CG LYS A 84 -20.362 -4.483 5.868 1.00 0.00 C ATOM 1349 CD LYS A 84 -20.837 -3.685 7.065 1.00 0.00 C ATOM 1350 CE LYS A 84 -21.045 -4.566 8.284 1.00 0.00 C ATOM 1351 NZ LYS A 84 -22.142 -5.538 8.078 1.00 0.00 N ATOM 0 H LYS A 84 -17.946 -4.312 4.419 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.311 -5.281 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.671 -2.755 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.302 -3.242 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.034 -5.324 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.376 -4.899 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.107 -2.909 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.771 -3.180 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -20.122 -5.101 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -21.269 -3.942 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -22.436 -5.929 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -22.950 -5.060 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -21.812 -6.309 7.463 1.00 0.00 H new ATOM 1365 N TYR A 85 -19.007 -2.771 1.731 1.00 0.00 N ATOM 1366 CA TYR A 85 -19.107 -1.925 0.549 1.00 0.00 C ATOM 1367 C TYR A 85 -18.909 -2.728 -0.736 1.00 0.00 C ATOM 1368 O TYR A 85 -18.876 -2.166 -1.827 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.106 -0.774 0.614 1.00 0.00 C ATOM 1370 CG TYR A 85 -18.355 0.193 1.747 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -19.281 1.218 1.614 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -17.670 0.080 2.948 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -19.514 2.107 2.643 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -17.898 0.967 3.980 1.00 0.00 C ATOM 1375 CZ TYR A 85 -18.822 1.977 3.822 1.00 0.00 C ATOM 1376 OH TYR A 85 -19.051 2.867 4.857 1.00 0.00 O ATOM 0 H TYR A 85 -18.096 -2.746 2.190 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.115 -1.509 0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.101 -1.185 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.134 -0.228 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.829 1.322 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -16.948 -0.713 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -20.236 2.901 2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.354 0.870 4.908 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.481 2.635 5.620 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.754 -4.038 -0.597 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.593 -4.898 -1.746 1.00 0.00 C ATOM 1388 C GLY A 86 -17.214 -4.801 -2.342 1.00 0.00 C ATOM 1389 O GLY A 86 -16.986 -5.213 -3.479 1.00 0.00 O ATOM 0 H GLY A 86 -18.737 -4.521 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.789 -5.930 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.333 -4.634 -2.502 1.00 0.00 H new ATOM 1393 N ARG A 87 -16.293 -4.260 -1.580 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.943 -4.097 -2.037 1.00 0.00 C ATOM 1395 C ARG A 87 -14.092 -5.168 -1.399 1.00 0.00 C ATOM 1396 O ARG A 87 -14.238 -5.436 -0.205 1.00 0.00 O ATOM 1397 CB ARG A 87 -14.410 -2.693 -1.694 1.00 0.00 C ATOM 1398 CG ARG A 87 -15.305 -1.567 -2.201 1.00 0.00 C ATOM 1399 CD ARG A 87 -14.738 -0.191 -1.885 1.00 0.00 C ATOM 1400 NE ARG A 87 -15.736 0.865 -2.113 1.00 0.00 N ATOM 1401 CZ ARG A 87 -15.555 2.181 -1.918 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -14.338 2.680 -1.756 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -16.595 2.998 -1.948 1.00 0.00 N ATOM 0 H ARG A 87 -16.462 -3.924 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.908 -4.196 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -14.306 -2.606 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.414 -2.576 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -15.434 -1.666 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -16.294 -1.662 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.406 -0.162 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.861 -0.006 -2.506 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.652 0.570 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.526 2.063 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.213 3.682 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.530 2.627 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.462 3.998 -1.800 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.261 -5.791 -2.196 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.411 -6.859 -1.747 1.00 0.00 C ATOM 1419 C GLY A 88 -11.413 -6.404 -0.722 1.00 0.00 C ATOM 1420 O GLY A 88 -10.872 -5.315 -0.831 1.00 0.00 O ATOM 0 H GLY A 88 -13.156 -5.567 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.024 -7.655 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.883 -7.283 -2.601 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.196 -7.224 0.263 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.257 -6.944 1.325 1.00 0.00 C ATOM 1426 C LEU A 89 -9.087 -7.863 1.171 1.00 0.00 C ATOM 1427 O LEU A 89 -9.110 -8.985 1.681 1.00 0.00 O ATOM 1428 CB LEU A 89 -10.896 -7.187 2.695 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.108 -6.344 3.048 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -12.669 -6.783 4.384 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.729 -4.878 3.086 1.00 0.00 C ATOM 0 H LEU A 89 -11.670 -8.122 0.359 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.949 -5.900 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.184 -8.237 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.135 -7.023 3.458 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.874 -6.482 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.539 -6.174 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.964 -7.831 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.909 -6.661 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.606 -4.282 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.954 -4.722 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.354 -4.574 2.109 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.092 -7.437 0.450 1.00 0.00 N ATOM 1444 CA ALA A 90 -6.986 -8.307 0.186 1.00 0.00 C ATOM 1445 C ALA A 90 -5.676 -7.593 0.123 1.00 0.00 C ATOM 1446 O ALA A 90 -5.576 -6.472 -0.373 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.197 -9.068 -1.105 1.00 0.00 C ATOM 0 H ALA A 90 -8.023 -6.506 0.040 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.945 -8.998 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.344 -9.723 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.105 -9.667 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.294 -8.363 -1.931 1.00 0.00 H new ATOM 1453 N TYR A 91 -4.688 -8.258 0.623 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.339 -7.849 0.516 1.00 0.00 C ATOM 1455 C TYR A 91 -2.854 -8.330 -0.801 1.00 0.00 C ATOM 1456 O TYR A 91 -2.836 -9.527 -1.072 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.499 -8.413 1.652 1.00 0.00 C ATOM 1458 CG TYR A 91 -2.680 -7.674 2.945 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -3.774 -7.896 3.777 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -1.741 -6.747 3.332 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.907 -7.197 4.962 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -1.865 -6.055 4.496 1.00 0.00 C ATOM 1463 CZ TYR A 91 -2.943 -6.277 5.309 1.00 0.00 C ATOM 1464 OH TYR A 91 -3.042 -5.597 6.481 1.00 0.00 O ATOM 0 H TYR A 91 -4.809 -9.132 1.135 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.256 -6.765 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.758 -9.461 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.447 -8.382 1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.524 -8.620 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.886 -6.565 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.756 -7.370 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.114 -5.332 4.778 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.154 -5.284 6.753 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.514 -7.420 -1.621 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.195 -7.719 -2.964 1.00 0.00 C ATOM 1476 C ILE A 92 -0.714 -7.883 -3.149 1.00 0.00 C ATOM 1477 O ILE A 92 0.096 -7.025 -2.749 1.00 0.00 O ATOM 1478 CB ILE A 92 -2.800 -6.656 -3.911 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.329 -6.684 -3.747 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.403 -6.922 -5.370 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.070 -5.611 -4.488 1.00 0.00 C ATOM 0 H ILE A 92 -2.447 -6.431 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.643 -8.677 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.414 -5.670 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.697 -7.654 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.566 -6.601 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.843 -6.159 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.317 -6.892 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.766 -7.904 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.140 -5.717 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.739 -4.633 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.871 -5.702 -5.556 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.363 -9.004 -3.694 1.00 0.00 N ATOM 1494 CA TYR A 93 0.977 -9.327 -3.985 1.00 0.00 C ATOM 1495 C TYR A 93 1.213 -9.105 -5.451 1.00 0.00 C ATOM 1496 O TYR A 93 0.551 -9.706 -6.299 1.00 0.00 O ATOM 1497 CB TYR A 93 1.278 -10.786 -3.601 1.00 0.00 C ATOM 1498 CG TYR A 93 1.195 -11.058 -2.109 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.031 -11.218 -1.467 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.346 -11.136 -1.340 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.097 -11.447 -0.114 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.278 -11.366 0.018 1.00 0.00 C ATOM 1503 CZ TYR A 93 1.049 -11.522 0.623 1.00 0.00 C ATOM 1504 OH TYR A 93 0.970 -11.739 1.982 1.00 0.00 O ATOM 0 H TYR A 93 -1.028 -9.733 -3.952 1.00 0.00 H new ATOM 0 HA TYR A 93 1.644 -8.690 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.577 -11.440 -4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.276 -11.046 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.944 -11.161 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.310 -11.015 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.057 -11.568 0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.183 -11.424 0.605 1.00 0.00 H new ATOM 0 HH TYR A 93 0.049 -11.972 2.223 1.00 0.00 H new ATOM 1514 N ALA A 94 2.149 -8.262 -5.737 1.00 0.00 N ATOM 1515 CA ALA A 94 2.513 -7.936 -7.074 1.00 0.00 C ATOM 1516 C ALA A 94 3.828 -8.563 -7.342 1.00 0.00 C ATOM 1517 O ALA A 94 4.832 -8.173 -6.756 1.00 0.00 O ATOM 1518 CB ALA A 94 2.611 -6.435 -7.245 1.00 0.00 C ATOM 0 H ALA A 94 2.694 -7.769 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 94 1.760 -8.303 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.890 -6.203 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.647 -5.979 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.367 -6.040 -6.566 1.00 0.00 H new ATOM 1524 N ASP A 95 3.800 -9.601 -8.145 1.00 0.00 N ATOM 1525 CA ASP A 95 4.983 -10.360 -8.562 1.00 0.00 C ATOM 1526 C ASP A 95 5.588 -11.064 -7.350 1.00 0.00 C ATOM 1527 O ASP A 95 6.702 -11.538 -7.375 1.00 0.00 O ATOM 1528 CB ASP A 95 6.005 -9.440 -9.250 1.00 0.00 C ATOM 1529 CG ASP A 95 6.974 -10.175 -10.133 1.00 0.00 C ATOM 1530 OD1 ASP A 95 6.559 -10.625 -11.241 1.00 0.00 O ATOM 1531 OD2 ASP A 95 8.167 -10.288 -9.780 1.00 0.00 O ATOM 0 H ASP A 95 2.933 -9.961 -8.545 1.00 0.00 H new ATOM 0 HA ASP A 95 4.690 -11.116 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.472 -8.700 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.562 -8.895 -8.488 1.00 0.00 H new ATOM 1536 N GLY A 96 4.772 -11.192 -6.313 1.00 0.00 N ATOM 1537 CA GLY A 96 5.195 -11.792 -5.068 1.00 0.00 C ATOM 1538 C GLY A 96 5.632 -10.766 -4.021 1.00 0.00 C ATOM 1539 O GLY A 96 6.012 -11.138 -2.916 1.00 0.00 O ATOM 0 H GLY A 96 3.800 -10.881 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.377 -12.388 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.021 -12.476 -5.264 1.00 0.00 H new ATOM 1543 N LYS A 97 5.574 -9.489 -4.361 1.00 0.00 N ATOM 1544 CA LYS A 97 5.911 -8.423 -3.424 1.00 0.00 C ATOM 1545 C LYS A 97 4.619 -7.921 -2.827 1.00 0.00 C ATOM 1546 O LYS A 97 3.613 -7.872 -3.525 1.00 0.00 O ATOM 1547 CB LYS A 97 6.559 -7.261 -4.167 1.00 0.00 C ATOM 1548 CG LYS A 97 7.702 -7.665 -5.049 1.00 0.00 C ATOM 1549 CD LYS A 97 8.160 -6.501 -5.909 1.00 0.00 C ATOM 1550 CE LYS A 97 9.102 -6.950 -7.007 1.00 0.00 C ATOM 1551 NZ LYS A 97 10.294 -7.637 -6.487 1.00 0.00 N ATOM 0 H LYS A 97 5.295 -9.161 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 97 6.596 -8.800 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.803 -6.764 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.914 -6.531 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.532 -8.019 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.399 -8.496 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.292 -6.013 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.658 -5.760 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.570 -7.617 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.413 -6.083 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.966 -7.802 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.744 -7.047 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.015 -8.549 -6.071 1.00 0.00 H new ATOM 1565 N MET A 98 4.607 -7.543 -1.586 1.00 0.00 N ATOM 1566 CA MET A 98 3.374 -7.045 -1.020 1.00 0.00 C ATOM 1567 C MET A 98 3.257 -5.554 -1.281 1.00 0.00 C ATOM 1568 O MET A 98 4.013 -4.753 -0.721 1.00 0.00 O ATOM 1569 CB MET A 98 3.244 -7.334 0.474 1.00 0.00 C ATOM 1570 CG MET A 98 1.877 -6.931 1.027 1.00 0.00 C ATOM 1571 SD MET A 98 1.723 -7.129 2.807 1.00 0.00 S ATOM 1572 CE MET A 98 2.036 -8.883 2.987 1.00 0.00 C ATOM 0 H MET A 98 5.407 -7.565 -0.954 1.00 0.00 H new ATOM 0 HA MET A 98 2.557 -7.575 -1.510 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.406 -8.397 0.651 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.024 -6.798 1.015 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.685 -5.890 0.769 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.108 -7.528 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.301 -9.316 3.666 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.961 -9.368 2.014 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.037 -9.034 3.391 1.00 0.00 H new ATOM 1582 N VAL A 99 2.301 -5.199 -2.123 1.00 0.00 N ATOM 1583 CA VAL A 99 2.059 -3.811 -2.528 1.00 0.00 C ATOM 1584 C VAL A 99 1.766 -2.957 -1.314 1.00 0.00 C ATOM 1585 O VAL A 99 2.327 -1.883 -1.145 1.00 0.00 O ATOM 1586 CB VAL A 99 0.852 -3.728 -3.496 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.593 -2.303 -3.956 1.00 0.00 C ATOM 1588 CG2 VAL A 99 1.063 -4.629 -4.686 1.00 0.00 C ATOM 0 H VAL A 99 1.661 -5.867 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 99 2.954 -3.446 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.027 -4.065 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.261 -2.289 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.381 -1.674 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.473 -1.922 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.205 -4.557 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.964 -4.324 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.173 -5.659 -4.347 1.00 0.00 H new ATOM 1598 N ASN A 100 0.926 -3.489 -0.452 1.00 0.00 N ATOM 1599 CA ASN A 100 0.484 -2.812 0.763 1.00 0.00 C ATOM 1600 C ASN A 100 1.665 -2.397 1.616 1.00 0.00 C ATOM 1601 O ASN A 100 1.720 -1.266 2.091 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.433 -3.731 1.565 1.00 0.00 C ATOM 1603 CG ASN A 100 -1.594 -4.243 0.741 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.495 -5.279 0.097 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -2.680 -3.527 0.733 1.00 0.00 N ATOM 0 H ASN A 100 0.521 -4.418 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.062 -1.914 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.143 -4.576 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.815 -3.193 2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.483 -3.824 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.729 -2.668 1.282 1.00 0.00 H new ATOM 1612 N GLU A 101 2.626 -3.304 1.769 1.00 0.00 N ATOM 1613 CA GLU A 101 3.807 -3.037 2.557 1.00 0.00 C ATOM 1614 C GLU A 101 4.629 -1.938 1.906 1.00 0.00 C ATOM 1615 O GLU A 101 5.072 -1.005 2.577 1.00 0.00 O ATOM 1616 CB GLU A 101 4.660 -4.295 2.717 1.00 0.00 C ATOM 1617 CG GLU A 101 5.873 -4.045 3.576 1.00 0.00 C ATOM 1618 CD GLU A 101 6.839 -5.202 3.631 1.00 0.00 C ATOM 1619 OE1 GLU A 101 7.434 -5.565 2.590 1.00 0.00 O ATOM 1620 OE2 GLU A 101 7.077 -5.728 4.735 1.00 0.00 O ATOM 0 H GLU A 101 2.601 -4.234 1.351 1.00 0.00 H new ATOM 0 HA GLU A 101 3.486 -2.713 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.058 -5.088 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.977 -4.647 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.397 -3.166 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.545 -3.811 4.589 1.00 0.00 H new ATOM 1627 N ALA A 102 4.783 -2.034 0.597 1.00 0.00 N ATOM 1628 CA ALA A 102 5.577 -1.093 -0.165 1.00 0.00 C ATOM 1629 C ALA A 102 5.002 0.316 -0.085 1.00 0.00 C ATOM 1630 O ALA A 102 5.739 1.273 0.128 1.00 0.00 O ATOM 1631 CB ALA A 102 5.696 -1.545 -1.610 1.00 0.00 C ATOM 0 H ALA A 102 4.358 -2.770 0.033 1.00 0.00 H new ATOM 0 HA ALA A 102 6.574 -1.066 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.296 -0.826 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.175 -2.523 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.703 -1.610 -2.054 1.00 0.00 H new ATOM 1637 N LEU A 103 3.682 0.421 -0.210 1.00 0.00 N ATOM 1638 CA LEU A 103 2.988 1.711 -0.154 1.00 0.00 C ATOM 1639 C LEU A 103 3.245 2.404 1.165 1.00 0.00 C ATOM 1640 O LEU A 103 3.558 3.596 1.215 1.00 0.00 O ATOM 1641 CB LEU A 103 1.473 1.526 -0.318 1.00 0.00 C ATOM 1642 CG LEU A 103 0.999 0.839 -1.589 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.515 0.763 -1.620 1.00 0.00 C ATOM 1644 CD2 LEU A 103 1.538 1.546 -2.813 1.00 0.00 C ATOM 0 H LEU A 103 3.064 -0.378 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 103 3.374 2.320 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.107 0.954 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.004 2.508 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 103 1.386 -0.180 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.836 0.268 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.869 0.196 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.931 1.770 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.187 1.038 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.189 2.578 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.628 1.532 -2.791 1.00 0.00 H new ATOM 1656 N VAL A 104 3.120 1.657 2.227 1.00 0.00 N ATOM 1657 CA VAL A 104 3.298 2.193 3.544 1.00 0.00 C ATOM 1658 C VAL A 104 4.776 2.504 3.815 1.00 0.00 C ATOM 1659 O VAL A 104 5.108 3.587 4.277 1.00 0.00 O ATOM 1660 CB VAL A 104 2.718 1.250 4.621 1.00 0.00 C ATOM 1661 CG1 VAL A 104 2.822 1.865 5.983 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.274 0.945 4.325 1.00 0.00 C ATOM 0 H VAL A 104 2.893 0.663 2.202 1.00 0.00 H new ATOM 0 HA VAL A 104 2.743 3.130 3.598 1.00 0.00 H new ATOM 0 HB VAL A 104 3.298 0.327 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.407 1.181 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.869 2.060 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.266 2.802 6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.878 0.279 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.700 1.872 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.196 0.463 3.351 1.00 0.00 H new ATOM 1672 N ARG A 105 5.656 1.578 3.446 1.00 0.00 N ATOM 1673 CA ARG A 105 7.097 1.727 3.673 1.00 0.00 C ATOM 1674 C ARG A 105 7.688 2.879 2.863 1.00 0.00 C ATOM 1675 O ARG A 105 8.640 3.517 3.296 1.00 0.00 O ATOM 1676 CB ARG A 105 7.826 0.412 3.362 1.00 0.00 C ATOM 1677 CG ARG A 105 9.341 0.449 3.511 1.00 0.00 C ATOM 1678 CD ARG A 105 9.943 -0.908 3.197 1.00 0.00 C ATOM 1679 NE ARG A 105 9.540 -1.401 1.869 1.00 0.00 N ATOM 1680 CZ ARG A 105 9.139 -2.656 1.624 1.00 0.00 C ATOM 1681 NH1 ARG A 105 9.329 -3.603 2.541 1.00 0.00 N ATOM 1682 NH2 ARG A 105 8.620 -2.976 0.443 1.00 0.00 N ATOM 0 H ARG A 105 5.396 0.707 2.984 1.00 0.00 H new ATOM 0 HA ARG A 105 7.240 1.969 4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.433 -0.365 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.586 0.117 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.759 1.202 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.605 0.743 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 105 11.030 -0.841 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.635 -1.625 3.958 1.00 0.00 H new ATOM 0 HE ARG A 105 9.568 -0.747 1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.779 -3.372 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.025 -4.559 2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.525 -2.265 -0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.316 -3.933 0.262 1.00 0.00 H new ATOM 1696 N GLN A 106 7.121 3.154 1.695 1.00 0.00 N ATOM 1697 CA GLN A 106 7.609 4.244 0.860 1.00 0.00 C ATOM 1698 C GLN A 106 6.943 5.576 1.272 1.00 0.00 C ATOM 1699 O GLN A 106 7.263 6.659 0.744 1.00 0.00 O ATOM 1700 CB GLN A 106 7.383 3.946 -0.637 1.00 0.00 C ATOM 1701 CG GLN A 106 8.047 4.951 -1.574 1.00 0.00 C ATOM 1702 CD GLN A 106 9.564 4.954 -1.446 1.00 0.00 C ATOM 1703 OE1 GLN A 106 10.084 5.740 -0.525 1.00 0.00 O flip ATOM 1704 NE2 GLN A 106 10.266 4.234 -2.164 1.00 0.00 N flip ATOM 0 H GLN A 106 6.329 2.642 1.307 1.00 0.00 H new ATOM 0 HA GLN A 106 8.684 4.337 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.763 2.949 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.312 3.931 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.773 4.719 -2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.666 5.949 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.832 3.637 -2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.280 4.237 -2.053 1.00 0.00 H new ATOM 1713 N GLY A 107 6.063 5.495 2.235 1.00 0.00 N ATOM 1714 CA GLY A 107 5.381 6.656 2.730 1.00 0.00 C ATOM 1715 C GLY A 107 4.377 7.192 1.758 1.00 0.00 C ATOM 1716 O GLY A 107 4.404 8.373 1.424 1.00 0.00 O ATOM 0 H GLY A 107 5.801 4.624 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.879 6.407 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.111 7.432 2.957 1.00 0.00 H new ATOM 1720 N LEU A 108 3.530 6.331 1.264 1.00 0.00 N ATOM 1721 CA LEU A 108 2.460 6.733 0.367 1.00 0.00 C ATOM 1722 C LEU A 108 1.105 6.329 0.924 1.00 0.00 C ATOM 1723 O LEU A 108 0.075 6.821 0.485 1.00 0.00 O ATOM 1724 CB LEU A 108 2.685 6.144 -1.021 1.00 0.00 C ATOM 1725 CG LEU A 108 3.896 6.700 -1.765 1.00 0.00 C ATOM 1726 CD1 LEU A 108 4.430 5.676 -2.692 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.505 7.930 -2.558 1.00 0.00 C ATOM 0 H LEU A 108 3.554 5.331 1.466 1.00 0.00 H new ATOM 0 HA LEU A 108 2.469 7.820 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.798 5.064 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.794 6.320 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 108 4.659 6.969 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.294 6.079 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.729 4.794 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.660 5.401 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.378 8.317 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.733 7.667 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.122 8.693 -1.880 1.00 0.00 H new ATOM 1739 N ALA A 109 1.116 5.464 1.910 1.00 0.00 N ATOM 1740 CA ALA A 109 -0.094 5.013 2.552 1.00 0.00 C ATOM 1741 C ALA A 109 0.110 5.043 4.043 1.00 0.00 C ATOM 1742 O ALA A 109 1.236 4.874 4.514 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.445 3.607 2.097 1.00 0.00 C ATOM 0 H ALA A 109 1.968 5.052 2.290 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.919 5.671 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.361 3.283 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.594 3.600 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.367 2.928 2.355 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.947 5.298 4.779 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.874 5.317 6.226 1.00 0.00 C ATOM 1751 C LYS A 110 -1.593 4.113 6.756 1.00 0.00 C ATOM 1752 O LYS A 110 -2.475 3.573 6.074 1.00 0.00 O ATOM 1753 CB LYS A 110 -1.567 6.551 6.808 1.00 0.00 C ATOM 1754 CG LYS A 110 -1.055 7.878 6.321 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.722 9.021 7.069 1.00 0.00 C ATOM 1756 CE LYS A 110 -1.285 10.365 6.530 1.00 0.00 C ATOM 1757 NZ LYS A 110 -1.824 10.634 5.187 1.00 0.00 N ATOM 0 H LYS A 110 -1.873 5.496 4.400 1.00 0.00 H new ATOM 0 HA LYS A 110 0.178 5.328 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.631 6.488 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.470 6.521 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.025 7.929 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.245 7.976 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.805 8.929 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.477 8.956 8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.610 11.150 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.196 10.403 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.626 11.621 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.376 9.996 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.852 10.476 5.187 1.00 0.00 H new ATOM 1771 N VAL A 111 -1.247 3.704 7.945 1.00 0.00 N ATOM 1772 CA VAL A 111 -1.944 2.632 8.597 1.00 0.00 C ATOM 1773 C VAL A 111 -3.145 3.232 9.311 1.00 0.00 C ATOM 1774 O VAL A 111 -3.030 4.265 9.991 1.00 0.00 O ATOM 1775 CB VAL A 111 -1.026 1.856 9.586 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -1.788 0.753 10.314 1.00 0.00 C ATOM 1777 CG2 VAL A 111 0.144 1.263 8.835 1.00 0.00 C ATOM 0 H VAL A 111 -0.479 4.102 8.486 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.269 1.901 7.857 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.666 2.561 10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.114 0.234 10.995 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.610 1.191 10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.186 0.045 9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.785 0.720 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.224 0.579 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.716 2.062 8.362 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.270 2.607 9.167 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.503 3.132 9.672 1.00 0.00 C ATOM 1789 C ALA A 112 -5.987 2.318 10.854 1.00 0.00 C ATOM 1790 O ALA A 112 -5.248 1.475 11.386 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.546 3.154 8.559 1.00 0.00 C ATOM 0 H ALA A 112 -4.362 1.709 8.691 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.340 4.153 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.483 3.554 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.193 3.783 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.708 2.140 8.192 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.195 2.605 11.291 1.00 0.00 N ATOM 1798 CA TYR A 113 -7.777 1.963 12.440 1.00 0.00 C ATOM 1799 C TYR A 113 -8.082 0.517 12.100 1.00 0.00 C ATOM 1800 O TYR A 113 -8.750 0.226 11.108 1.00 0.00 O ATOM 1801 CB TYR A 113 -9.037 2.710 12.884 1.00 0.00 C ATOM 1802 CG TYR A 113 -8.833 4.216 12.980 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -7.889 4.770 13.844 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -9.580 5.078 12.192 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -7.699 6.141 13.906 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -9.402 6.444 12.253 1.00 0.00 C ATOM 1807 CZ TYR A 113 -8.461 6.974 13.107 1.00 0.00 C ATOM 1808 OH TYR A 113 -8.279 8.347 13.158 1.00 0.00 O ATOM 0 H TYR A 113 -7.802 3.297 10.852 1.00 0.00 H new ATOM 0 HA TYR A 113 -7.073 1.985 13.272 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.843 2.502 12.180 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -9.355 2.329 13.855 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.298 4.121 14.474 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.317 4.671 11.516 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -6.960 6.557 14.575 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -9.999 7.096 11.633 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.895 8.782 12.532 1.00 0.00 H new ATOM 1818 N VAL A 114 -7.575 -0.357 12.907 1.00 0.00 N ATOM 1819 CA VAL A 114 -7.642 -1.772 12.668 1.00 0.00 C ATOM 1820 C VAL A 114 -8.950 -2.368 13.182 1.00 0.00 C ATOM 1821 O VAL A 114 -9.431 -2.008 14.264 1.00 0.00 O ATOM 1822 CB VAL A 114 -6.441 -2.470 13.342 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -6.470 -3.954 13.115 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.131 -1.885 12.844 1.00 0.00 C ATOM 0 H VAL A 114 -7.092 -0.108 13.770 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.605 -1.935 11.591 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.518 -2.293 14.415 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.610 -4.414 13.603 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -7.388 -4.368 13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.432 -4.159 12.045 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.298 -2.391 13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.058 -2.023 11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.096 -0.821 13.077 1.00 0.00 H new ATOM 1834 N TYR A 115 -9.534 -3.245 12.382 1.00 0.00 N ATOM 1835 CA TYR A 115 -10.740 -3.956 12.738 1.00 0.00 C ATOM 1836 C TYR A 115 -10.554 -5.451 12.491 1.00 0.00 C ATOM 1837 O TYR A 115 -10.573 -5.918 11.349 1.00 0.00 O ATOM 1838 CB TYR A 115 -11.970 -3.403 12.004 1.00 0.00 C ATOM 1839 CG TYR A 115 -12.354 -2.005 12.445 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -11.825 -0.872 11.827 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -13.233 -1.820 13.494 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -12.161 0.397 12.254 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -13.576 -0.558 13.919 1.00 0.00 C ATOM 1844 CZ TYR A 115 -13.039 0.546 13.301 1.00 0.00 C ATOM 1845 OH TYR A 115 -13.375 1.806 13.749 1.00 0.00 O ATOM 0 H TYR A 115 -9.176 -3.482 11.457 1.00 0.00 H new ATOM 0 HA TYR A 115 -10.927 -3.804 13.801 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.772 -3.397 10.932 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -12.814 -4.073 12.168 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -11.141 -0.990 11.000 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -13.658 -2.681 13.989 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -11.738 1.265 11.770 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -14.268 -0.434 14.739 1.00 0.00 H new ATOM 0 HH TYR A 115 -14.007 1.731 14.494 1.00 0.00 H new ATOM 1855 N LYS A 116 -10.356 -6.165 13.569 1.00 0.00 N ATOM 1856 CA LYS A 116 -10.074 -7.604 13.603 1.00 0.00 C ATOM 1857 C LYS A 116 -11.224 -8.437 12.936 1.00 0.00 C ATOM 1858 O LYS A 116 -12.386 -8.025 12.970 1.00 0.00 O ATOM 1859 CB LYS A 116 -9.906 -7.974 15.083 1.00 0.00 C ATOM 1860 CG LYS A 116 -9.306 -9.332 15.348 1.00 0.00 C ATOM 1861 CD LYS A 116 -9.245 -9.647 16.841 1.00 0.00 C ATOM 1862 CE LYS A 116 -10.627 -9.684 17.479 1.00 0.00 C ATOM 1863 NZ LYS A 116 -10.571 -9.951 18.928 1.00 0.00 N ATOM 0 H LYS A 116 -10.385 -5.752 14.501 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.174 -7.835 13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.279 -7.220 15.559 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.883 -7.927 15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -9.896 -10.095 14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.301 -9.373 14.927 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.753 -10.609 16.988 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.635 -8.897 17.344 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -11.129 -8.732 17.307 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.228 -10.453 16.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.536 -9.966 19.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.116 -10.872 19.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.021 -9.204 19.398 1.00 0.00 H new ATOM 1877 N PRO A 117 -10.915 -9.612 12.301 1.00 0.00 N ATOM 1878 CA PRO A 117 -9.569 -10.135 12.177 1.00 0.00 C ATOM 1879 C PRO A 117 -8.756 -9.539 11.036 1.00 0.00 C ATOM 1880 O PRO A 117 -7.747 -10.106 10.669 1.00 0.00 O ATOM 1881 CB PRO A 117 -9.749 -11.647 12.009 1.00 0.00 C ATOM 1882 CG PRO A 117 -11.169 -11.867 11.621 1.00 0.00 C ATOM 1883 CD PRO A 117 -11.883 -10.532 11.675 1.00 0.00 C ATOM 0 HA PRO A 117 -8.986 -9.868 13.058 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.074 -12.035 11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.515 -12.170 12.936 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.229 -12.290 10.618 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -11.642 -12.580 12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.163 -10.193 10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.801 -10.598 12.259 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.195 -8.402 10.463 1.00 0.00 N ATOM 1892 CA ASN A 118 -8.342 -7.690 9.469 1.00 0.00 C ATOM 1893 C ASN A 118 -7.240 -7.007 10.189 1.00 0.00 C ATOM 1894 O ASN A 118 -7.291 -5.806 10.451 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.093 -6.673 8.591 1.00 0.00 C ATOM 1896 CG ASN A 118 -8.790 -6.915 7.111 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -9.784 -6.756 6.253 1.00 0.00 O flip ATOM 1898 ND2 ASN A 118 -7.702 -7.251 6.753 1.00 0.00 N flip ATOM 0 H ASN A 118 -10.096 -7.964 10.655 1.00 0.00 H new ATOM 0 HA ASN A 118 -7.968 -8.450 8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.166 -6.754 8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.801 -5.660 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.953 -7.366 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -7.521 -7.423 5.764 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.335 -7.806 10.636 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.215 -7.368 11.402 1.00 0.00 C ATOM 1907 C ASN A 119 -4.133 -8.395 11.356 1.00 0.00 C ATOM 1908 O ASN A 119 -3.154 -8.302 12.098 1.00 0.00 O ATOM 1909 CB ASN A 119 -5.580 -7.136 12.876 1.00 0.00 C ATOM 1910 CG ASN A 119 -5.930 -8.395 13.671 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -6.559 -9.326 13.185 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -5.467 -8.444 14.869 1.00 0.00 N ATOM 0 H ASN A 119 -6.352 -8.813 10.475 1.00 0.00 H new ATOM 0 HA ASN A 119 -4.882 -6.426 10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.743 -6.638 13.366 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.427 -6.452 12.920 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -5.620 -9.274 15.441 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.946 -7.653 15.247 1.00 0.00 H new ATOM 1919 N THR A 120 -4.244 -9.342 10.453 1.00 0.00 N ATOM 1920 CA THR A 120 -3.305 -10.423 10.430 1.00 0.00 C ATOM 1921 C THR A 120 -1.946 -9.896 9.928 1.00 0.00 C ATOM 1922 O THR A 120 -0.904 -10.508 10.115 1.00 0.00 O ATOM 1923 CB THR A 120 -3.832 -11.578 9.540 1.00 0.00 C ATOM 1924 OG1 THR A 120 -5.250 -11.787 9.809 1.00 0.00 O ATOM 1925 CG2 THR A 120 -3.093 -12.870 9.864 1.00 0.00 C ATOM 0 H THR A 120 -4.968 -9.380 9.736 1.00 0.00 H new ATOM 0 HA THR A 120 -3.175 -10.823 11.436 1.00 0.00 H new ATOM 0 HB THR A 120 -3.673 -11.313 8.495 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.780 -11.148 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 120 -3.472 -13.674 9.233 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.027 -12.735 9.680 1.00 0.00 H new ATOM 0 HG23 THR A 120 -3.251 -13.126 10.912 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.989 -8.715 9.317 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.815 -8.076 8.772 1.00 0.00 C ATOM 1935 C HIS A 121 -0.686 -6.625 9.322 1.00 0.00 C ATOM 1936 O HIS A 121 0.081 -5.823 8.773 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.935 -8.007 7.245 1.00 0.00 C ATOM 1938 CG HIS A 121 -1.260 -9.301 6.525 1.00 0.00 C ATOM 1939 ND1 HIS A 121 -2.549 -9.819 6.420 1.00 0.00 N ATOM 1940 CD2 HIS A 121 -0.481 -10.140 5.816 1.00 0.00 C ATOM 1941 CE1 HIS A 121 -2.524 -10.891 5.685 1.00 0.00 C ATOM 1942 NE2 HIS A 121 -1.297 -11.114 5.305 1.00 0.00 N ATOM 0 H HIS A 121 -2.848 -8.179 9.190 1.00 0.00 H new ATOM 0 HA HIS A 121 0.062 -8.655 9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.706 -7.278 6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.005 -7.624 6.847 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -3.382 -9.420 6.852 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.587 -10.060 5.677 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -3.380 -11.498 5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.993 -11.892 4.719 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.408 -6.302 10.427 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.453 -4.937 10.975 1.00 0.00 C ATOM 1953 C GLU A 122 -0.047 -4.423 11.378 1.00 0.00 C ATOM 1954 O GLU A 122 0.320 -3.274 11.104 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.415 -4.867 12.201 1.00 0.00 C ATOM 1956 CG GLU A 122 -1.953 -5.654 13.442 1.00 0.00 C ATOM 1957 CD GLU A 122 -2.895 -5.570 14.632 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -3.186 -4.456 15.114 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -3.311 -6.619 15.151 1.00 0.00 O ATOM 0 H GLU A 122 -1.965 -6.977 10.951 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.830 -4.289 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.546 -3.822 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.393 -5.240 11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.829 -6.701 13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.973 -5.286 13.745 1.00 0.00 H new ATOM 1966 N GLN A 123 0.736 -5.297 11.975 1.00 0.00 N ATOM 1967 CA GLN A 123 2.034 -4.944 12.522 1.00 0.00 C ATOM 1968 C GLN A 123 3.047 -4.759 11.423 1.00 0.00 C ATOM 1969 O GLN A 123 3.917 -3.880 11.506 1.00 0.00 O ATOM 1970 CB GLN A 123 2.497 -6.017 13.483 1.00 0.00 C ATOM 1971 CG GLN A 123 1.515 -6.289 14.602 1.00 0.00 C ATOM 1972 CD GLN A 123 1.995 -7.367 15.529 1.00 0.00 C ATOM 1973 OE1 GLN A 123 2.705 -8.283 15.117 1.00 0.00 O ATOM 1974 NE2 GLN A 123 1.607 -7.293 16.769 1.00 0.00 N ATOM 0 H GLN A 123 0.490 -6.279 12.096 1.00 0.00 H new ATOM 0 HA GLN A 123 1.938 -4.000 13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.670 -6.940 12.929 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.453 -5.720 13.914 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.349 -5.373 15.168 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.554 -6.579 14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 123 1.018 -6.518 17.074 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.892 -8.010 17.436 1.00 0.00 H new ATOM 1983 N LEU A 124 2.901 -5.554 10.376 1.00 0.00 N ATOM 1984 CA LEU A 124 3.787 -5.501 9.227 1.00 0.00 C ATOM 1985 C LEU A 124 3.725 -4.112 8.609 1.00 0.00 C ATOM 1986 O LEU A 124 4.737 -3.518 8.223 1.00 0.00 O ATOM 1987 CB LEU A 124 3.351 -6.524 8.182 1.00 0.00 C ATOM 1988 CG LEU A 124 4.239 -6.621 6.950 1.00 0.00 C ATOM 1989 CD1 LEU A 124 5.569 -7.256 7.295 1.00 0.00 C ATOM 1990 CD2 LEU A 124 3.549 -7.369 5.845 1.00 0.00 C ATOM 0 H LEU A 124 2.164 -6.255 10.300 1.00 0.00 H new ATOM 0 HA LEU A 124 4.803 -5.724 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.308 -7.505 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.339 -6.280 7.860 1.00 0.00 H new ATOM 0 HG LEU A 124 4.433 -5.610 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.187 -7.315 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 124 6.076 -6.652 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.402 -8.259 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 124 4.206 -7.423 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 124 3.309 -8.377 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.630 -6.850 5.573 1.00 0.00 H new ATOM 2002 N LEU A 125 2.544 -3.603 8.529 1.00 0.00 N ATOM 2003 CA LEU A 125 2.327 -2.303 7.985 1.00 0.00 C ATOM 2004 C LEU A 125 2.784 -1.211 8.923 1.00 0.00 C ATOM 2005 O LEU A 125 3.368 -0.241 8.488 1.00 0.00 O ATOM 2006 CB LEU A 125 0.892 -2.145 7.573 1.00 0.00 C ATOM 2007 CG LEU A 125 0.457 -3.085 6.468 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -1.006 -2.926 6.207 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.263 -2.823 5.206 1.00 0.00 C ATOM 0 H LEU A 125 1.696 -4.077 8.840 1.00 0.00 H new ATOM 0 HA LEU A 125 2.942 -2.200 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.256 -2.306 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.730 -1.118 7.246 1.00 0.00 H new ATOM 0 HG LEU A 125 0.641 -4.112 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.310 -3.606 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.565 -3.157 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.212 -1.899 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.940 -3.506 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.106 -1.795 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.322 -2.981 5.411 1.00 0.00 H new ATOM 2021 N ARG A 126 2.567 -1.393 10.211 1.00 0.00 N ATOM 2022 CA ARG A 126 2.993 -0.399 11.194 1.00 0.00 C ATOM 2023 C ARG A 126 4.488 -0.199 11.217 1.00 0.00 C ATOM 2024 O ARG A 126 4.955 0.936 11.305 1.00 0.00 O ATOM 2025 CB ARG A 126 2.500 -0.712 12.573 1.00 0.00 C ATOM 2026 CG ARG A 126 1.044 -0.471 12.763 1.00 0.00 C ATOM 2027 CD ARG A 126 0.648 -0.873 14.140 1.00 0.00 C ATOM 2028 NE ARG A 126 -0.736 -0.556 14.417 1.00 0.00 N ATOM 2029 CZ ARG A 126 -1.623 -1.416 14.892 1.00 0.00 C ATOM 2030 NH1 ARG A 126 -1.250 -2.634 15.237 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -2.868 -1.039 15.067 1.00 0.00 N ATOM 0 H ARG A 126 2.102 -2.211 10.605 1.00 0.00 H new ATOM 0 HA ARG A 126 2.536 0.535 10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.718 -1.756 12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.055 -0.109 13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.815 0.582 12.601 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.472 -1.038 12.029 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.807 -1.944 14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.288 -0.368 14.864 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.050 0.397 14.233 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.275 -2.916 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.937 -3.293 15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.149 -0.086 14.837 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.554 -1.699 15.433 1.00 0.00 H new ATOM 2045 N LYS A 127 5.248 -1.281 11.106 1.00 0.00 N ATOM 2046 CA LYS A 127 6.699 -1.152 11.096 1.00 0.00 C ATOM 2047 C LYS A 127 7.159 -0.460 9.821 1.00 0.00 C ATOM 2048 O LYS A 127 8.178 0.232 9.796 1.00 0.00 O ATOM 2049 CB LYS A 127 7.431 -2.508 11.361 1.00 0.00 C ATOM 2050 CG LYS A 127 7.205 -3.665 10.366 1.00 0.00 C ATOM 2051 CD LYS A 127 7.933 -3.453 9.041 1.00 0.00 C ATOM 2052 CE LYS A 127 7.625 -4.553 8.048 1.00 0.00 C ATOM 2053 NZ LYS A 127 8.131 -4.230 6.704 1.00 0.00 N ATOM 0 H LYS A 127 4.896 -2.235 11.024 1.00 0.00 H new ATOM 0 HA LYS A 127 6.985 -0.517 11.934 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.502 -2.306 11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.136 -2.858 12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.544 -4.598 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.137 -3.772 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.645 -2.491 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.008 -3.414 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.071 -5.487 8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.548 -4.711 8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.008 -5.053 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.602 -3.421 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.141 -3.987 6.762 1.00 0.00 H new ATOM 2067 N SER A 128 6.387 -0.647 8.775 1.00 0.00 N ATOM 2068 CA SER A 128 6.631 -0.014 7.511 1.00 0.00 C ATOM 2069 C SER A 128 6.266 1.487 7.582 1.00 0.00 C ATOM 2070 O SER A 128 6.979 2.335 7.040 1.00 0.00 O ATOM 2071 CB SER A 128 5.837 -0.753 6.439 1.00 0.00 C ATOM 2072 OG SER A 128 6.232 -2.123 6.384 1.00 0.00 O ATOM 0 H SER A 128 5.565 -1.250 8.784 1.00 0.00 H new ATOM 0 HA SER A 128 7.689 -0.065 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.771 -0.684 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.998 -0.282 5.469 1.00 0.00 H new ATOM 0 HG SER A 128 5.628 -2.660 6.938 1.00 0.00 H new ATOM 2078 N GLU A 129 5.180 1.799 8.293 1.00 0.00 N ATOM 2079 CA GLU A 129 4.734 3.176 8.495 1.00 0.00 C ATOM 2080 C GLU A 129 5.751 3.923 9.316 1.00 0.00 C ATOM 2081 O GLU A 129 6.156 5.023 8.968 1.00 0.00 O ATOM 2082 CB GLU A 129 3.363 3.219 9.197 1.00 0.00 C ATOM 2083 CG GLU A 129 2.862 4.628 9.453 1.00 0.00 C ATOM 2084 CD GLU A 129 1.531 4.689 10.170 1.00 0.00 C ATOM 2085 OE1 GLU A 129 1.493 4.466 11.401 1.00 0.00 O ATOM 2086 OE2 GLU A 129 0.511 4.993 9.533 1.00 0.00 O ATOM 0 H GLU A 129 4.586 1.103 8.744 1.00 0.00 H new ATOM 0 HA GLU A 129 4.631 3.649 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.633 2.687 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.432 2.688 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.605 5.165 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.774 5.150 8.500 1.00 0.00 H new ATOM 2093 N ALA A 130 6.176 3.299 10.397 1.00 0.00 N ATOM 2094 CA ALA A 130 7.184 3.856 11.288 1.00 0.00 C ATOM 2095 C ALA A 130 8.482 4.119 10.532 1.00 0.00 C ATOM 2096 O ALA A 130 9.179 5.108 10.792 1.00 0.00 O ATOM 2097 CB ALA A 130 7.430 2.919 12.461 1.00 0.00 C ATOM 0 H ALA A 130 5.831 2.384 10.687 1.00 0.00 H new ATOM 0 HA ALA A 130 6.815 4.806 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 130 8.186 3.349 13.118 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.503 2.780 13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 130 7.778 1.955 12.090 1.00 0.00 H new ATOM 2103 N GLN A 131 8.778 3.251 9.584 1.00 0.00 N ATOM 2104 CA GLN A 131 9.957 3.369 8.754 1.00 0.00 C ATOM 2105 C GLN A 131 9.810 4.637 7.895 1.00 0.00 C ATOM 2106 O GLN A 131 10.697 5.481 7.848 1.00 0.00 O ATOM 2107 CB GLN A 131 10.077 2.102 7.868 1.00 0.00 C ATOM 2108 CG GLN A 131 11.491 1.732 7.411 1.00 0.00 C ATOM 2109 CD GLN A 131 12.145 2.710 6.452 1.00 0.00 C ATOM 2110 OE1 GLN A 131 13.352 2.882 6.487 1.00 0.00 O ATOM 2111 NE2 GLN A 131 11.386 3.289 5.553 1.00 0.00 N ATOM 0 H GLN A 131 8.201 2.438 9.368 1.00 0.00 H new ATOM 0 HA GLN A 131 10.861 3.450 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.662 1.258 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.456 2.242 6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.125 1.635 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 131 11.455 0.752 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.380 3.123 5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.802 3.905 4.855 1.00 0.00 H new ATOM 2120 N ALA A 132 8.657 4.781 7.276 1.00 0.00 N ATOM 2121 CA ALA A 132 8.378 5.920 6.421 1.00 0.00 C ATOM 2122 C ALA A 132 8.334 7.229 7.212 1.00 0.00 C ATOM 2123 O ALA A 132 8.791 8.278 6.732 1.00 0.00 O ATOM 2124 CB ALA A 132 7.084 5.698 5.679 1.00 0.00 C ATOM 0 H ALA A 132 7.888 4.115 7.350 1.00 0.00 H new ATOM 0 HA ALA A 132 9.192 6.010 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.880 6.556 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.165 4.800 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.270 5.577 6.394 1.00 0.00 H new ATOM 2130 N LYS A 133 7.784 7.158 8.415 1.00 0.00 N ATOM 2131 CA LYS A 133 7.690 8.290 9.310 1.00 0.00 C ATOM 2132 C LYS A 133 9.061 8.799 9.728 1.00 0.00 C ATOM 2133 O LYS A 133 9.294 10.007 9.764 1.00 0.00 O ATOM 2134 CB LYS A 133 6.875 7.932 10.559 1.00 0.00 C ATOM 2135 CG LYS A 133 5.371 7.827 10.357 1.00 0.00 C ATOM 2136 CD LYS A 133 4.663 7.452 11.662 1.00 0.00 C ATOM 2137 CE LYS A 133 3.146 7.535 11.522 1.00 0.00 C ATOM 2138 NZ LYS A 133 2.433 7.179 12.774 1.00 0.00 N ATOM 0 H LYS A 133 7.387 6.300 8.797 1.00 0.00 H new ATOM 0 HA LYS A 133 7.183 9.084 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.238 6.980 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.069 8.683 11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 133 4.983 8.777 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.155 7.079 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 133 4.947 6.441 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 133 4.992 8.118 12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 133 2.868 8.546 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 133 2.822 6.868 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 1.962 6.259 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.115 7.121 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 1.721 7.907 12.987 1.00 0.00 H new ATOM 2152 N LYS A 134 9.983 7.885 10.011 1.00 0.00 N ATOM 2153 CA LYS A 134 11.307 8.286 10.493 1.00 0.00 C ATOM 2154 C LYS A 134 12.140 8.896 9.370 1.00 0.00 C ATOM 2155 O LYS A 134 13.099 9.618 9.625 1.00 0.00 O ATOM 2156 CB LYS A 134 12.080 7.111 11.133 1.00 0.00 C ATOM 2157 CG LYS A 134 12.566 6.074 10.138 1.00 0.00 C ATOM 2158 CD LYS A 134 13.360 4.975 10.793 1.00 0.00 C ATOM 2159 CE LYS A 134 13.949 4.051 9.743 1.00 0.00 C ATOM 2160 NZ LYS A 134 14.754 2.980 10.342 1.00 0.00 N ATOM 0 H LYS A 134 9.846 6.878 9.919 1.00 0.00 H new ATOM 0 HA LYS A 134 11.138 9.037 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.938 7.508 11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 134 11.437 6.623 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.709 5.641 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.181 6.561 9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 134 14.159 5.405 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.720 4.407 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.144 3.613 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.568 4.629 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.137 2.372 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.538 3.397 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.158 2.411 10.977 1.00 0.00 H new ATOM 2174 N GLU A 135 11.794 8.594 8.133 1.00 0.00 N ATOM 2175 CA GLU A 135 12.535 9.134 7.013 1.00 0.00 C ATOM 2176 C GLU A 135 11.819 10.340 6.425 1.00 0.00 C ATOM 2177 O GLU A 135 12.365 11.028 5.559 1.00 0.00 O ATOM 2178 CB GLU A 135 12.771 8.077 5.932 1.00 0.00 C ATOM 2179 CG GLU A 135 13.399 6.800 6.443 1.00 0.00 C ATOM 2180 CD GLU A 135 13.961 5.942 5.343 1.00 0.00 C ATOM 2181 OE1 GLU A 135 13.199 5.408 4.505 1.00 0.00 O ATOM 2182 OE2 GLU A 135 15.203 5.808 5.277 1.00 0.00 O ATOM 0 H GLU A 135 11.015 7.986 7.882 1.00 0.00 H new ATOM 0 HA GLU A 135 13.508 9.452 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.818 7.837 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.412 8.500 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.195 7.048 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.652 6.230 6.996 1.00 0.00 H new ATOM 2189 N LYS A 136 10.604 10.595 6.924 1.00 0.00 N ATOM 2190 CA LYS A 136 9.735 11.680 6.456 1.00 0.00 C ATOM 2191 C LYS A 136 9.517 11.567 4.952 1.00 0.00 C ATOM 2192 O LYS A 136 9.750 12.520 4.201 1.00 0.00 O ATOM 2193 CB LYS A 136 10.257 13.084 6.839 1.00 0.00 C ATOM 2194 CG LYS A 136 10.569 13.250 8.332 1.00 0.00 C ATOM 2195 CD LYS A 136 10.909 14.695 8.698 1.00 0.00 C ATOM 2196 CE LYS A 136 12.209 15.180 8.061 1.00 0.00 C ATOM 2197 NZ LYS A 136 13.389 14.452 8.564 1.00 0.00 N ATOM 0 H LYS A 136 10.191 10.044 7.676 1.00 0.00 H new ATOM 0 HA LYS A 136 8.779 11.566 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 136 11.159 13.294 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 136 9.515 13.828 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.711 12.921 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 136 11.405 12.604 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.092 15.345 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.987 14.781 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.146 15.061 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.332 16.245 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 14.254 14.905 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.392 14.472 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 13.354 13.466 8.237 1.00 0.00 H new ATOM 2211 N LEU A 137 9.115 10.377 4.520 1.00 0.00 N ATOM 2212 CA LEU A 137 8.901 10.070 3.099 1.00 0.00 C ATOM 2213 C LEU A 137 7.700 10.813 2.511 1.00 0.00 C ATOM 2214 O LEU A 137 7.113 11.605 3.182 1.00 0.00 O ATOM 2215 CB LEU A 137 8.798 8.568 2.891 1.00 0.00 C ATOM 2216 CG LEU A 137 10.090 7.793 3.151 1.00 0.00 C ATOM 2217 CD1 LEU A 137 9.878 6.317 3.019 1.00 0.00 C ATOM 2218 CD2 LEU A 137 11.177 8.234 2.197 1.00 0.00 C ATOM 0 H LEU A 137 8.926 9.591 5.143 1.00 0.00 H new ATOM 0 HA LEU A 137 9.771 10.431 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 137 8.019 8.178 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.478 8.379 1.867 1.00 0.00 H new ATOM 0 HG LEU A 137 10.398 8.009 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.816 5.796 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.129 5.991 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 137 9.535 6.088 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 137 12.088 7.671 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 137 10.857 8.052 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 137 11.371 9.298 2.333 1.00 0.00 H new ATOM 2230 N ASN A 138 7.331 10.476 1.271 1.00 0.00 N ATOM 2231 CA ASN A 138 6.335 11.232 0.427 1.00 0.00 C ATOM 2232 C ASN A 138 5.172 11.901 1.187 1.00 0.00 C ATOM 2233 O ASN A 138 5.009 13.125 1.110 1.00 0.00 O ATOM 2234 CB ASN A 138 5.750 10.337 -0.678 1.00 0.00 C ATOM 2235 CG ASN A 138 6.784 9.784 -1.631 1.00 0.00 C ATOM 2236 OD1 ASN A 138 7.129 10.415 -2.621 1.00 0.00 O ATOM 2237 ND2 ASN A 138 7.259 8.592 -1.366 1.00 0.00 N ATOM 0 H ASN A 138 7.710 9.657 0.795 1.00 0.00 H new ATOM 0 HA ASN A 138 6.929 12.045 0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.217 9.507 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.017 10.910 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.938 8.162 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.950 8.094 -0.532 1.00 0.00 H new ATOM 2244 N ILE A 139 4.366 11.120 1.898 1.00 0.00 N ATOM 2245 CA ILE A 139 3.225 11.699 2.656 1.00 0.00 C ATOM 2246 C ILE A 139 3.627 12.242 4.036 1.00 0.00 C ATOM 2247 O ILE A 139 2.837 12.909 4.691 1.00 0.00 O ATOM 2248 CB ILE A 139 2.055 10.697 2.856 1.00 0.00 C ATOM 2249 CG1 ILE A 139 2.504 9.480 3.670 1.00 0.00 C ATOM 2250 CG2 ILE A 139 1.458 10.273 1.525 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.412 8.483 3.943 1.00 0.00 C ATOM 0 H ILE A 139 4.463 10.108 1.975 1.00 0.00 H new ATOM 0 HA ILE A 139 2.891 12.525 2.029 1.00 0.00 H new ATOM 0 HB ILE A 139 1.276 11.208 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.313 8.979 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 139 2.913 9.823 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 139 0.642 9.572 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 139 1.078 11.150 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.226 9.793 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 139 1.814 7.653 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.611 8.965 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 139 1.018 8.108 2.999 1.00 0.00 H new ATOM 2263 N TRP A 140 4.829 11.962 4.461 1.00 0.00 N ATOM 2264 CA TRP A 140 5.268 12.324 5.793 1.00 0.00 C ATOM 2265 C TRP A 140 6.211 13.517 5.779 1.00 0.00 C ATOM 2266 O TRP A 140 6.588 14.021 6.840 1.00 0.00 O ATOM 2267 CB TRP A 140 5.947 11.130 6.484 1.00 0.00 C ATOM 2268 CG TRP A 140 5.065 9.930 6.619 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.203 8.736 5.981 1.00 0.00 C ATOM 2270 CD2 TRP A 140 3.890 9.820 7.427 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.197 7.880 6.354 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.376 8.524 7.239 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.225 10.692 8.296 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.232 8.079 7.887 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.088 10.248 8.936 1.00 0.00 C ATOM 2276 CH2 TRP A 140 1.603 8.956 8.729 1.00 0.00 C ATOM 0 H TRP A 140 5.533 11.479 3.902 1.00 0.00 H new ATOM 0 HA TRP A 140 4.378 12.608 6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 140 6.837 10.853 5.919 1.00 0.00 H new ATOM 0 HB3 TRP A 140 6.281 11.437 7.475 1.00 0.00 H new ATOM 0 HD1 TRP A 140 5.991 8.496 5.282 1.00 0.00 H new ATOM 0 HE1 TRP A 140 4.081 6.921 6.025 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.595 11.693 8.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 1.853 7.080 7.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 1.564 10.911 9.609 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.709 8.640 9.246 1.00 0.00 H new ATOM 2287 N SER A 141 6.616 13.943 4.594 1.00 0.00 N ATOM 2288 CA SER A 141 7.529 15.060 4.443 1.00 0.00 C ATOM 2289 C SER A 141 6.921 16.377 4.988 1.00 0.00 C ATOM 2290 O SER A 141 6.126 17.049 4.315 1.00 0.00 O ATOM 2291 CB SER A 141 7.939 15.219 2.989 1.00 0.00 C ATOM 2292 OG SER A 141 8.395 14.000 2.433 1.00 0.00 O ATOM 0 H SER A 141 6.321 13.524 3.712 1.00 0.00 H new ATOM 0 HA SER A 141 8.418 14.842 5.035 1.00 0.00 H new ATOM 0 HB2 SER A 141 7.091 15.587 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 141 8.726 15.969 2.914 1.00 0.00 H new ATOM 0 HG SER A 141 8.578 13.360 3.153 1.00 0.00 H new