USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=32 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 131 GLN : amide:sc= 1.47 K(o=0.086,f=-15!) USER MOD Set 1.2: A 134 LYS NZ :NH3+ -148:sc= -1.38! (180deg=-2.02!) USER MOD Set 2.1: A 93 TYR OH : rot 58:sc= 0.65 USER MOD Set 2.2: A 98 MET CE :methyl -137:sc= -0.821 (180deg=-0.54) USER MOD Set 2.3: A 121 HIS : no HD1:sc= 0.163 K(o=-0.0087,f=-4.4!) USER MOD Set 3.1: A 80 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Set 3.2: A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD Single : A 9 LYS NZ :NH3+ -120:sc= 1.24 (180deg=0.243) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 64:sc= -1.41 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -160:sc= -0.143 (180deg=-0.676) USER MOD Single : A 27 TYR OH : rot 68:sc= 0.762 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 1.14 (180deg=0.951) USER MOD Single : A 30 GLN : amide:sc= 0.834 K(o=0.83,f=-0.35) USER MOD Single : A 32 MET CE :methyl 166:sc= -0.0922 (180deg=-0.402) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000341 USER MOD Single : A 59 SER OG : rot 180:sc= -0.255 USER MOD Single : A 62 THR OG1 : rot -140:sc= 0.666 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -109:sc= -0.264 (180deg=-2.27!) USER MOD Single : A 68 ASN : amide:sc= 1.14 K(o=1.1,f=-0.06) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= -0.0249 (180deg=-0.151) USER MOD Single : A 71 LYS NZ :NH3+ 146:sc= 2.47 (180deg=1.63) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0584 (180deg=-0.312) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -12:sc= 1.5 USER MOD Single : A 97 LYS NZ :NH3+ -113:sc= -0.0523 (180deg=-0.374) USER MOD Single : A 100 ASN : amide:sc= 0.919 K(o=0.92,f=-8.5!) USER MOD Single : A 106 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.83) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 118 ASN : amide:sc= 1.44 K(o=1.4,f=-10!) USER MOD Single : A 119 ASN : amide:sc= 1.19 K(o=1.2,f=-1.3) USER MOD Single : A 120 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 123 GLN : amide:sc= -1.15 K(o=-1.2,f=-12!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot -103:sc= -0.319 USER MOD Single : A 133 LYS NZ :NH3+ 168:sc= 1.42 (180deg=1.05) USER MOD Single : A 136 LYS NZ :NH3+ -170:sc= -0.0135 (180deg=-0.127) USER MOD Single : A 138 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.7!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -4.739 -16.390 2.398 1.00 0.00 N ATOM 116 CA HIS A 8 -4.516 -17.085 1.133 1.00 0.00 C ATOM 117 C HIS A 8 -4.502 -16.127 -0.026 1.00 0.00 C ATOM 118 O HIS A 8 -5.295 -15.190 -0.055 1.00 0.00 O ATOM 119 CB HIS A 8 -5.596 -18.181 0.885 1.00 0.00 C ATOM 120 CG HIS A 8 -7.028 -17.678 0.797 1.00 0.00 C ATOM 121 ND1 HIS A 8 -7.781 -17.712 -0.358 1.00 0.00 N ATOM 122 CD2 HIS A 8 -7.849 -17.180 1.751 1.00 0.00 C ATOM 123 CE1 HIS A 8 -8.990 -17.266 -0.105 1.00 0.00 C ATOM 124 NE2 HIS A 8 -9.067 -16.940 1.168 1.00 0.00 N ATOM 0 HA HIS A 8 -3.539 -17.563 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.354 -18.702 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.535 -18.915 1.689 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.450 -18.034 -1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.591 -17.003 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.791 -17.181 -0.824 1.00 0.00 H new ATOM 133 N LYS A 9 -3.608 -16.367 -0.957 1.00 0.00 N ATOM 134 CA LYS A 9 -3.528 -15.593 -2.165 1.00 0.00 C ATOM 135 C LYS A 9 -4.326 -16.201 -3.264 1.00 0.00 C ATOM 136 O LYS A 9 -4.252 -17.403 -3.516 1.00 0.00 O ATOM 137 CB LYS A 9 -2.107 -15.387 -2.662 1.00 0.00 C ATOM 138 CG LYS A 9 -1.411 -14.196 -2.059 1.00 0.00 C ATOM 139 CD LYS A 9 -0.991 -14.424 -0.631 1.00 0.00 C ATOM 140 CE LYS A 9 0.183 -15.351 -0.501 1.00 0.00 C ATOM 141 NZ LYS A 9 0.503 -15.602 0.915 1.00 0.00 N ATOM 0 H LYS A 9 -2.913 -17.111 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.939 -14.620 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.525 -16.283 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.126 -15.273 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.532 -13.954 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.075 -13.332 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.742 -13.466 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.833 -14.833 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.037 -16.294 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.049 -14.919 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.474 -15.287 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.161 -15.077 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.422 -16.620 1.114 1.00 0.00 H new ATOM 155 N GLU A 10 -5.054 -15.377 -3.913 1.00 0.00 N ATOM 156 CA GLU A 10 -5.838 -15.754 -5.055 1.00 0.00 C ATOM 157 C GLU A 10 -5.285 -14.989 -6.241 1.00 0.00 C ATOM 158 O GLU A 10 -4.996 -13.797 -6.112 1.00 0.00 O ATOM 159 CB GLU A 10 -7.327 -15.411 -4.865 1.00 0.00 C ATOM 160 CG GLU A 10 -8.017 -16.122 -3.710 1.00 0.00 C ATOM 161 CD GLU A 10 -7.971 -17.625 -3.822 1.00 0.00 C ATOM 162 OE1 GLU A 10 -8.532 -18.197 -4.789 1.00 0.00 O ATOM 163 OE2 GLU A 10 -7.413 -18.282 -2.919 1.00 0.00 O ATOM 0 H GLU A 10 -5.133 -14.390 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.777 -16.832 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.418 -14.335 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.858 -15.650 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.547 -15.820 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.057 -15.800 -3.663 1.00 0.00 H new ATOM 170 N PRO A 11 -5.074 -15.655 -7.376 1.00 0.00 N ATOM 171 CA PRO A 11 -4.537 -15.009 -8.572 1.00 0.00 C ATOM 172 C PRO A 11 -5.520 -13.993 -9.167 1.00 0.00 C ATOM 173 O PRO A 11 -6.736 -14.249 -9.256 1.00 0.00 O ATOM 174 CB PRO A 11 -4.314 -16.174 -9.543 1.00 0.00 C ATOM 175 CG PRO A 11 -5.242 -17.242 -9.074 1.00 0.00 C ATOM 176 CD PRO A 11 -5.328 -17.090 -7.587 1.00 0.00 C ATOM 0 HA PRO A 11 -3.631 -14.442 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.534 -15.881 -10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.278 -16.513 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.224 -17.135 -9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.869 -18.230 -9.344 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.307 -17.385 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.590 -17.708 -7.076 1.00 0.00 H new ATOM 184 N ALA A 12 -5.006 -12.862 -9.546 1.00 0.00 N ATOM 185 CA ALA A 12 -5.792 -11.813 -10.126 1.00 0.00 C ATOM 186 C ALA A 12 -5.044 -11.173 -11.288 1.00 0.00 C ATOM 187 O ALA A 12 -3.838 -11.381 -11.461 1.00 0.00 O ATOM 188 CB ALA A 12 -6.124 -10.772 -9.073 1.00 0.00 C ATOM 0 H ALA A 12 -4.015 -12.638 -9.460 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.721 -12.237 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.721 -9.978 -9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.688 -11.238 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.201 -10.350 -8.674 1.00 0.00 H new ATOM 194 N THR A 13 -5.760 -10.421 -12.078 1.00 0.00 N ATOM 195 CA THR A 13 -5.205 -9.710 -13.207 1.00 0.00 C ATOM 196 C THR A 13 -5.721 -8.277 -13.141 1.00 0.00 C ATOM 197 O THR A 13 -6.901 -8.077 -12.922 1.00 0.00 O ATOM 198 CB THR A 13 -5.671 -10.381 -14.516 1.00 0.00 C ATOM 199 OG1 THR A 13 -5.342 -11.789 -14.465 1.00 0.00 O ATOM 200 CG2 THR A 13 -4.999 -9.749 -15.730 1.00 0.00 C ATOM 0 H THR A 13 -6.763 -10.280 -11.957 1.00 0.00 H new ATOM 0 HA THR A 13 -4.115 -9.724 -13.182 1.00 0.00 H new ATOM 0 HB THR A 13 -6.748 -10.244 -14.613 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.636 -12.224 -15.293 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.347 -10.243 -16.637 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.250 -8.689 -15.774 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.918 -9.862 -15.648 1.00 0.00 H new ATOM 208 N LEU A 14 -4.863 -7.303 -13.306 1.00 0.00 N ATOM 209 CA LEU A 14 -5.264 -5.912 -13.150 1.00 0.00 C ATOM 210 C LEU A 14 -6.114 -5.429 -14.305 1.00 0.00 C ATOM 211 O LEU A 14 -5.865 -5.771 -15.456 1.00 0.00 O ATOM 212 CB LEU A 14 -4.051 -4.997 -13.053 1.00 0.00 C ATOM 213 CG LEU A 14 -4.363 -3.523 -12.809 1.00 0.00 C ATOM 214 CD1 LEU A 14 -4.872 -3.289 -11.396 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.169 -2.663 -13.120 1.00 0.00 C ATOM 0 H LEU A 14 -3.881 -7.438 -13.548 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.846 -5.872 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.411 -5.354 -12.246 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.478 -5.082 -13.976 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.164 -3.233 -13.489 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.084 -2.229 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.783 -3.866 -11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.114 -3.604 -10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.417 -1.617 -12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.335 -2.954 -12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.889 -2.793 -14.165 1.00 0.00 H new ATOM 227 N ILE A 15 -7.123 -4.653 -13.985 1.00 0.00 N ATOM 228 CA ILE A 15 -7.899 -3.977 -14.981 1.00 0.00 C ATOM 229 C ILE A 15 -7.484 -2.507 -14.941 1.00 0.00 C ATOM 230 O ILE A 15 -6.924 -1.981 -15.903 1.00 0.00 O ATOM 231 CB ILE A 15 -9.429 -4.135 -14.721 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.821 -5.623 -14.790 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.255 -3.298 -15.701 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.290 -5.889 -14.587 1.00 0.00 C ATOM 0 H ILE A 15 -7.424 -4.477 -13.026 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.714 -4.408 -15.965 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.648 -3.762 -13.721 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.523 -6.020 -15.760 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.257 -6.170 -14.035 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.316 -3.433 -15.490 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.994 -2.246 -15.591 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.044 -3.619 -16.721 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.478 -6.961 -14.651 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.593 -5.526 -13.605 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.863 -5.373 -15.358 1.00 0.00 H new ATOM 246 N LYS A 16 -7.666 -1.881 -13.783 1.00 0.00 N ATOM 247 CA LYS A 16 -7.262 -0.498 -13.561 1.00 0.00 C ATOM 248 C LYS A 16 -6.837 -0.258 -12.132 1.00 0.00 C ATOM 249 O LYS A 16 -7.419 -0.821 -11.194 1.00 0.00 O ATOM 250 CB LYS A 16 -8.362 0.509 -13.908 1.00 0.00 C ATOM 251 CG LYS A 16 -8.485 0.874 -15.372 1.00 0.00 C ATOM 252 CD LYS A 16 -9.476 2.007 -15.536 1.00 0.00 C ATOM 253 CE LYS A 16 -9.453 2.585 -16.934 1.00 0.00 C ATOM 254 NZ LYS A 16 -10.350 3.751 -17.040 1.00 0.00 N ATOM 0 H LYS A 16 -8.099 -2.320 -12.970 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.417 -0.342 -14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.317 0.105 -13.573 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.185 1.422 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.512 1.169 -15.766 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.811 0.007 -15.946 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.479 1.646 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.250 2.793 -14.815 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.436 2.880 -17.193 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.756 1.822 -17.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.316 4.128 -18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.323 3.462 -16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.044 4.486 -16.371 1.00 0.00 H new ATOM 268 N ALA A 17 -5.822 0.555 -11.963 1.00 0.00 N ATOM 269 CA ALA A 17 -5.408 0.984 -10.660 1.00 0.00 C ATOM 270 C ALA A 17 -6.225 2.209 -10.316 1.00 0.00 C ATOM 271 O ALA A 17 -5.979 3.305 -10.836 1.00 0.00 O ATOM 272 CB ALA A 17 -3.924 1.284 -10.631 1.00 0.00 C ATOM 0 H ALA A 17 -5.264 0.934 -12.728 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.575 0.197 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.638 1.607 -9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.366 0.386 -10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.699 2.075 -11.346 1.00 0.00 H new ATOM 278 N ILE A 18 -7.209 2.002 -9.490 1.00 0.00 N ATOM 279 CA ILE A 18 -8.193 3.010 -9.162 1.00 0.00 C ATOM 280 C ILE A 18 -7.621 4.075 -8.233 1.00 0.00 C ATOM 281 O ILE A 18 -7.814 5.292 -8.452 1.00 0.00 O ATOM 282 CB ILE A 18 -9.432 2.350 -8.490 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.076 1.299 -9.411 1.00 0.00 C ATOM 284 CG2 ILE A 18 -10.459 3.382 -8.038 1.00 0.00 C ATOM 285 CD1 ILE A 18 -10.590 1.841 -10.738 1.00 0.00 C ATOM 0 H ILE A 18 -7.359 1.113 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.490 3.493 -10.093 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.071 1.841 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.344 0.517 -9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.905 0.831 -8.880 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.305 2.874 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.002 4.058 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -10.805 3.953 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.026 1.028 -11.319 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.348 2.601 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.764 2.282 -11.295 1.00 0.00 H new ATOM 297 N ASP A 19 -6.903 3.643 -7.236 1.00 0.00 N ATOM 298 CA ASP A 19 -6.421 4.536 -6.213 1.00 0.00 C ATOM 299 C ASP A 19 -5.223 3.880 -5.537 1.00 0.00 C ATOM 300 O ASP A 19 -4.681 2.919 -6.085 1.00 0.00 O ATOM 301 CB ASP A 19 -7.564 4.786 -5.221 1.00 0.00 C ATOM 302 CG ASP A 19 -7.348 5.957 -4.334 1.00 0.00 C ATOM 303 OD1 ASP A 19 -7.536 7.084 -4.802 1.00 0.00 O ATOM 304 OD2 ASP A 19 -7.003 5.759 -3.161 1.00 0.00 O ATOM 0 H ASP A 19 -6.634 2.668 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.104 5.494 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.490 4.931 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.698 3.897 -4.605 1.00 0.00 H new ATOM 309 N GLY A 20 -4.812 4.385 -4.384 1.00 0.00 N ATOM 310 CA GLY A 20 -3.672 3.839 -3.686 1.00 0.00 C ATOM 311 C GLY A 20 -3.945 2.440 -3.196 1.00 0.00 C ATOM 312 O GLY A 20 -3.330 1.488 -3.636 1.00 0.00 O ATOM 0 H GLY A 20 -5.256 5.175 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.807 3.831 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.420 4.479 -2.841 1.00 0.00 H new ATOM 316 N ASP A 21 -4.907 2.309 -2.340 1.00 0.00 N ATOM 317 CA ASP A 21 -5.275 0.998 -1.803 1.00 0.00 C ATOM 318 C ASP A 21 -6.535 0.569 -2.519 1.00 0.00 C ATOM 319 O ASP A 21 -7.501 0.114 -1.929 1.00 0.00 O ATOM 320 CB ASP A 21 -5.499 1.089 -0.274 1.00 0.00 C ATOM 321 CG ASP A 21 -5.707 -0.266 0.422 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.741 -1.064 0.494 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.815 -0.507 0.945 1.00 0.00 O ATOM 0 H ASP A 21 -5.466 3.085 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.483 0.267 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.641 1.587 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.369 1.718 -0.084 1.00 0.00 H new ATOM 328 N THR A 22 -6.568 0.813 -3.816 1.00 0.00 N ATOM 329 CA THR A 22 -7.720 0.467 -4.593 1.00 0.00 C ATOM 330 C THR A 22 -7.327 0.103 -5.987 1.00 0.00 C ATOM 331 O THR A 22 -6.744 0.903 -6.718 1.00 0.00 O ATOM 332 CB THR A 22 -8.679 1.650 -4.688 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.740 2.277 -3.419 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.069 1.171 -5.070 1.00 0.00 C ATOM 0 H THR A 22 -5.810 1.247 -4.342 1.00 0.00 H new ATOM 0 HA THR A 22 -8.200 -0.377 -4.098 1.00 0.00 H new ATOM 0 HB THR A 22 -8.325 2.347 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.860 2.644 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.743 2.025 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.028 0.668 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.435 0.476 -4.314 1.00 0.00 H new ATOM 342 N VAL A 23 -7.668 -1.061 -6.367 1.00 0.00 N ATOM 343 CA VAL A 23 -7.471 -1.499 -7.697 1.00 0.00 C ATOM 344 C VAL A 23 -8.698 -2.231 -8.117 1.00 0.00 C ATOM 345 O VAL A 23 -9.424 -2.789 -7.270 1.00 0.00 O ATOM 346 CB VAL A 23 -6.214 -2.421 -7.894 1.00 0.00 C ATOM 347 CG1 VAL A 23 -4.914 -1.682 -7.612 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.303 -3.672 -7.039 1.00 0.00 C ATOM 0 H VAL A 23 -8.100 -1.754 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.284 -0.617 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.209 -2.719 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.072 -2.358 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.823 -0.834 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.915 -1.324 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.417 -4.287 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.363 -3.391 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.193 -4.238 -7.314 1.00 0.00 H new ATOM 358 N LYS A 24 -8.985 -2.177 -9.363 1.00 0.00 N ATOM 359 CA LYS A 24 -10.025 -2.948 -9.883 1.00 0.00 C ATOM 360 C LYS A 24 -9.374 -3.968 -10.738 1.00 0.00 C ATOM 361 O LYS A 24 -8.690 -3.637 -11.720 1.00 0.00 O ATOM 362 CB LYS A 24 -11.039 -2.141 -10.681 1.00 0.00 C ATOM 363 CG LYS A 24 -12.244 -2.994 -11.048 1.00 0.00 C ATOM 364 CD LYS A 24 -13.300 -2.248 -11.849 1.00 0.00 C ATOM 365 CE LYS A 24 -13.974 -1.157 -11.034 1.00 0.00 C ATOM 366 NZ LYS A 24 -15.077 -0.526 -11.778 1.00 0.00 N ATOM 0 H LYS A 24 -8.499 -1.593 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.603 -3.388 -9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.363 -1.279 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.571 -1.756 -11.587 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.906 -3.856 -11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.698 -3.378 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.839 -1.807 -12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.052 -2.954 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.356 -1.580 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.239 -0.400 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.513 0.213 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.708 -0.101 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.790 -1.244 -12.017 1.00 0.00 H new ATOM 380 N LEU A 25 -9.505 -5.164 -10.352 1.00 0.00 N ATOM 381 CA LEU A 25 -8.872 -6.223 -11.022 1.00 0.00 C ATOM 382 C LEU A 25 -9.875 -7.270 -11.411 1.00 0.00 C ATOM 383 O LEU A 25 -11.033 -7.233 -10.971 1.00 0.00 O ATOM 384 CB LEU A 25 -7.695 -6.775 -10.165 1.00 0.00 C ATOM 385 CG LEU A 25 -7.957 -7.057 -8.669 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.882 -8.240 -8.456 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.646 -7.257 -7.931 1.00 0.00 C ATOM 0 H LEU A 25 -10.064 -5.446 -9.547 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.433 -5.863 -11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.353 -7.702 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.871 -6.064 -10.232 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.464 -6.183 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.034 -8.396 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.842 -8.042 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.436 -9.134 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.848 -7.455 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.111 -8.103 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.037 -6.358 -8.021 1.00 0.00 H new ATOM 399 N MET A 26 -9.462 -8.154 -12.248 1.00 0.00 N ATOM 400 CA MET A 26 -10.273 -9.230 -12.665 1.00 0.00 C ATOM 401 C MET A 26 -10.099 -10.334 -11.658 1.00 0.00 C ATOM 402 O MET A 26 -9.045 -10.977 -11.596 1.00 0.00 O ATOM 403 CB MET A 26 -9.878 -9.704 -14.061 1.00 0.00 C ATOM 404 CG MET A 26 -10.752 -10.826 -14.594 1.00 0.00 C ATOM 405 SD MET A 26 -10.289 -11.358 -16.256 1.00 0.00 S ATOM 406 CE MET A 26 -10.557 -9.840 -17.187 1.00 0.00 C ATOM 0 H MET A 26 -8.532 -8.145 -12.667 1.00 0.00 H new ATOM 0 HA MET A 26 -11.317 -8.921 -12.720 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.926 -8.860 -14.749 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.841 -10.041 -14.041 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.692 -11.678 -13.917 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.791 -10.497 -14.601 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.664 -10.076 -18.246 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.464 -9.350 -16.831 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.706 -9.173 -17.048 1.00 0.00 H new ATOM 416 N TYR A 27 -11.079 -10.492 -10.837 1.00 0.00 N ATOM 417 CA TYR A 27 -11.060 -11.468 -9.806 1.00 0.00 C ATOM 418 C TYR A 27 -11.979 -12.592 -10.179 1.00 0.00 C ATOM 419 O TYR A 27 -13.202 -12.428 -10.185 1.00 0.00 O ATOM 420 CB TYR A 27 -11.475 -10.840 -8.472 1.00 0.00 C ATOM 421 CG TYR A 27 -11.497 -11.806 -7.312 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.338 -12.441 -6.894 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.679 -12.088 -6.646 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.356 -13.330 -5.843 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.706 -12.975 -5.592 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.544 -13.593 -5.193 1.00 0.00 C ATOM 427 OH TYR A 27 -11.571 -14.483 -4.143 1.00 0.00 O ATOM 0 H TYR A 27 -11.933 -9.935 -10.865 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.049 -11.859 -9.689 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.790 -10.025 -8.238 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.466 -10.401 -8.583 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.407 -12.235 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.593 -11.605 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.445 -13.819 -5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.635 -13.184 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.073 -14.110 -3.385 1.00 0.00 H new ATOM 437 N LYS A 28 -11.381 -13.705 -10.574 1.00 0.00 N ATOM 438 CA LYS A 28 -12.105 -14.920 -10.935 1.00 0.00 C ATOM 439 C LYS A 28 -13.100 -14.648 -12.065 1.00 0.00 C ATOM 440 O LYS A 28 -14.233 -15.155 -12.091 1.00 0.00 O ATOM 441 CB LYS A 28 -12.766 -15.551 -9.694 1.00 0.00 C ATOM 442 CG LYS A 28 -11.756 -15.923 -8.618 1.00 0.00 C ATOM 443 CD LYS A 28 -12.390 -16.656 -7.455 1.00 0.00 C ATOM 444 CE LYS A 28 -11.349 -17.024 -6.395 1.00 0.00 C ATOM 445 NZ LYS A 28 -10.285 -17.919 -6.922 1.00 0.00 N ATOM 0 H LYS A 28 -10.368 -13.794 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.394 -15.652 -11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.492 -14.852 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.317 -16.443 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.977 -16.548 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.271 -15.018 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.163 -16.032 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.880 -17.560 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.893 -16.113 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.847 -17.512 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.717 -18.286 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.721 -18.713 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.672 -17.385 -7.570 1.00 0.00 H new ATOM 459 N GLY A 29 -12.653 -13.821 -12.988 1.00 0.00 N ATOM 460 CA GLY A 29 -13.416 -13.519 -14.171 1.00 0.00 C ATOM 461 C GLY A 29 -14.297 -12.292 -14.054 1.00 0.00 C ATOM 462 O GLY A 29 -14.856 -11.835 -15.063 1.00 0.00 O ATOM 0 H GLY A 29 -11.753 -13.343 -12.935 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.729 -13.379 -15.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.041 -14.378 -14.414 1.00 0.00 H new ATOM 466 N GLN A 30 -14.439 -11.735 -12.869 1.00 0.00 N ATOM 467 CA GLN A 30 -15.266 -10.552 -12.736 1.00 0.00 C ATOM 468 C GLN A 30 -14.447 -9.336 -12.331 1.00 0.00 C ATOM 469 O GLN A 30 -13.512 -9.450 -11.535 1.00 0.00 O ATOM 470 CB GLN A 30 -16.459 -10.753 -11.774 1.00 0.00 C ATOM 471 CG GLN A 30 -16.101 -11.012 -10.314 1.00 0.00 C ATOM 472 CD GLN A 30 -17.326 -11.027 -9.411 1.00 0.00 C ATOM 473 OE1 GLN A 30 -18.429 -11.389 -9.832 1.00 0.00 O ATOM 474 NE2 GLN A 30 -17.158 -10.615 -8.176 1.00 0.00 N ATOM 0 H GLN A 30 -14.007 -12.069 -12.007 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.685 -10.370 -13.726 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.092 -9.867 -11.821 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.055 -11.590 -12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.582 -11.967 -10.234 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.409 -10.243 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.234 -10.322 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.951 -10.588 -7.535 1.00 0.00 H new ATOM 483 N PRO A 31 -14.745 -8.166 -12.921 1.00 0.00 N ATOM 484 CA PRO A 31 -14.106 -6.911 -12.533 1.00 0.00 C ATOM 485 C PRO A 31 -14.568 -6.519 -11.138 1.00 0.00 C ATOM 486 O PRO A 31 -15.757 -6.238 -10.924 1.00 0.00 O ATOM 487 CB PRO A 31 -14.626 -5.901 -13.572 1.00 0.00 C ATOM 488 CG PRO A 31 -15.884 -6.499 -14.105 1.00 0.00 C ATOM 489 CD PRO A 31 -15.716 -7.983 -14.020 1.00 0.00 C ATOM 0 HA PRO A 31 -13.018 -6.966 -12.510 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.815 -4.929 -13.116 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.897 -5.744 -14.367 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.746 -6.172 -13.524 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.057 -6.186 -15.135 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.662 -8.481 -13.805 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.343 -8.398 -14.957 1.00 0.00 H new ATOM 497 N MET A 32 -13.675 -6.524 -10.196 1.00 0.00 N ATOM 498 CA MET A 32 -14.047 -6.285 -8.845 1.00 0.00 C ATOM 499 C MET A 32 -13.086 -5.291 -8.213 1.00 0.00 C ATOM 500 O MET A 32 -11.877 -5.320 -8.490 1.00 0.00 O ATOM 501 CB MET A 32 -14.047 -7.620 -8.118 1.00 0.00 C ATOM 502 CG MET A 32 -14.811 -7.626 -6.832 1.00 0.00 C ATOM 503 SD MET A 32 -15.002 -9.296 -6.177 1.00 0.00 S ATOM 504 CE MET A 32 -16.077 -8.988 -4.785 1.00 0.00 C ATOM 0 H MET A 32 -12.680 -6.692 -10.344 1.00 0.00 H new ATOM 0 HA MET A 32 -15.043 -5.847 -8.782 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.466 -8.379 -8.779 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.016 -7.909 -7.915 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.296 -7.005 -6.100 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.794 -7.183 -6.991 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.488 -9.932 -4.427 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.509 -8.512 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.891 -8.332 -5.092 1.00 0.00 H new ATOM 514 N THR A 33 -13.617 -4.400 -7.409 1.00 0.00 N ATOM 515 CA THR A 33 -12.827 -3.369 -6.787 1.00 0.00 C ATOM 516 C THR A 33 -12.404 -3.800 -5.390 1.00 0.00 C ATOM 517 O THR A 33 -13.213 -4.290 -4.613 1.00 0.00 O ATOM 518 CB THR A 33 -13.652 -2.079 -6.671 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.256 -1.797 -7.935 1.00 0.00 O ATOM 520 CG2 THR A 33 -12.773 -0.899 -6.280 1.00 0.00 C ATOM 0 H THR A 33 -14.608 -4.371 -7.169 1.00 0.00 H new ATOM 0 HA THR A 33 -11.943 -3.195 -7.401 1.00 0.00 H new ATOM 0 HB THR A 33 -14.410 -2.224 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.786 -0.975 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.384 0.001 -6.205 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.302 -1.099 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.003 -0.753 -7.037 1.00 0.00 H new ATOM 528 N PHE A 34 -11.154 -3.653 -5.102 1.00 0.00 N ATOM 529 CA PHE A 34 -10.612 -3.946 -3.774 1.00 0.00 C ATOM 530 C PHE A 34 -10.218 -2.640 -3.091 1.00 0.00 C ATOM 531 O PHE A 34 -9.427 -1.886 -3.661 1.00 0.00 O ATOM 532 CB PHE A 34 -9.386 -4.877 -3.894 1.00 0.00 C ATOM 533 CG PHE A 34 -9.707 -6.324 -4.221 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.477 -6.667 -5.323 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.244 -7.337 -3.401 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.776 -7.986 -5.596 1.00 0.00 C ATOM 537 CE2 PHE A 34 -9.542 -8.657 -3.671 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.306 -8.983 -4.769 1.00 0.00 C ATOM 0 H PHE A 34 -10.457 -3.325 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.371 -4.450 -3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.725 -4.484 -4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.833 -4.847 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.847 -5.891 -5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.642 -7.092 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.378 -8.237 -6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.175 -9.436 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.536 -10.017 -4.981 1.00 0.00 H new ATOM 548 N ARG A 35 -10.815 -2.323 -1.922 1.00 0.00 N ATOM 549 CA ARG A 35 -10.440 -1.077 -1.226 1.00 0.00 C ATOM 550 C ARG A 35 -10.548 -1.189 0.284 1.00 0.00 C ATOM 551 O ARG A 35 -11.496 -1.797 0.788 1.00 0.00 O ATOM 552 CB ARG A 35 -11.278 0.150 -1.677 1.00 0.00 C ATOM 553 CG ARG A 35 -10.654 1.468 -1.191 1.00 0.00 C ATOM 554 CD ARG A 35 -11.354 2.729 -1.693 1.00 0.00 C ATOM 555 NE ARG A 35 -10.352 3.809 -1.888 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.429 5.092 -1.500 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.536 5.564 -0.928 1.00 0.00 N ATOM 558 NH2 ARG A 35 -9.386 5.915 -1.720 1.00 0.00 N ATOM 0 H ARG A 35 -11.528 -2.886 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.398 -0.923 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.353 0.161 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.293 0.062 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.658 1.476 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.611 1.498 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.869 2.523 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.112 3.047 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.498 3.542 -2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.336 4.949 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.583 6.541 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.546 5.562 -2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.436 6.891 -1.428 1.00 0.00 H new ATOM 572 N LEU A 36 -9.566 -0.608 0.971 1.00 0.00 N ATOM 573 CA LEU A 36 -9.585 -0.346 2.409 1.00 0.00 C ATOM 574 C LEU A 36 -9.449 -1.588 3.254 1.00 0.00 C ATOM 575 O LEU A 36 -10.435 -2.235 3.612 1.00 0.00 O ATOM 576 CB LEU A 36 -10.813 0.503 2.830 1.00 0.00 C ATOM 577 CG LEU A 36 -10.918 0.888 4.316 1.00 0.00 C ATOM 578 CD1 LEU A 36 -9.758 1.784 4.735 1.00 0.00 C ATOM 579 CD2 LEU A 36 -12.252 1.564 4.598 1.00 0.00 C ATOM 0 H LEU A 36 -8.704 -0.295 0.525 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.691 0.245 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.809 1.421 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.714 -0.046 2.558 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.863 -0.026 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.859 2.040 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.817 1.258 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.768 2.696 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.309 1.830 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.338 2.466 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.065 0.882 4.351 1.00 0.00 H new ATOM 591 N LEU A 37 -8.230 -1.940 3.541 1.00 0.00 N ATOM 592 CA LEU A 37 -7.989 -3.056 4.413 1.00 0.00 C ATOM 593 C LEU A 37 -7.434 -2.589 5.783 1.00 0.00 C ATOM 594 O LEU A 37 -8.195 -2.353 6.714 1.00 0.00 O ATOM 595 CB LEU A 37 -7.083 -4.085 3.734 1.00 0.00 C ATOM 596 CG LEU A 37 -6.841 -5.377 4.497 1.00 0.00 C ATOM 597 CD1 LEU A 37 -8.134 -6.136 4.722 1.00 0.00 C ATOM 598 CD2 LEU A 37 -5.859 -6.229 3.758 1.00 0.00 C ATOM 0 H LEU A 37 -7.393 -1.476 3.189 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.940 -3.549 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.516 -4.336 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.118 -3.616 3.540 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.431 -5.123 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.926 -7.055 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.823 -5.518 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.584 -6.381 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.691 -7.153 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.253 -6.464 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.916 -5.691 3.654 1.00 0.00 H new ATOM 610 N LEU A 38 -6.119 -2.426 5.884 1.00 0.00 N ATOM 611 CA LEU A 38 -5.483 -1.954 7.132 1.00 0.00 C ATOM 612 C LEU A 38 -4.799 -0.617 6.912 1.00 0.00 C ATOM 613 O LEU A 38 -4.141 -0.110 7.812 1.00 0.00 O ATOM 614 CB LEU A 38 -4.393 -2.939 7.667 1.00 0.00 C ATOM 615 CG LEU A 38 -4.776 -4.158 8.538 1.00 0.00 C ATOM 616 CD1 LEU A 38 -5.420 -3.745 9.847 1.00 0.00 C ATOM 617 CD2 LEU A 38 -5.626 -5.155 7.797 1.00 0.00 C ATOM 0 H LEU A 38 -5.464 -2.611 5.124 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.290 -1.877 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.857 -3.323 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.683 -2.346 8.243 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.840 -4.661 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.672 -4.634 10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.725 -3.127 10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.327 -3.176 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.865 -5.990 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.548 -4.675 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.081 -5.523 6.928 1.00 0.00 H new ATOM 629 N VAL A 39 -4.946 -0.031 5.739 1.00 0.00 N ATOM 630 CA VAL A 39 -4.184 1.164 5.442 1.00 0.00 C ATOM 631 C VAL A 39 -5.055 2.375 5.122 1.00 0.00 C ATOM 632 O VAL A 39 -6.190 2.260 4.653 1.00 0.00 O ATOM 633 CB VAL A 39 -3.118 0.951 4.326 1.00 0.00 C ATOM 634 CG1 VAL A 39 -2.181 -0.191 4.676 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.752 0.713 2.986 1.00 0.00 C ATOM 0 H VAL A 39 -5.567 -0.352 4.996 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.653 1.380 6.369 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.537 1.871 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.448 -0.317 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.667 0.034 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.755 -1.111 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.974 0.569 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.379 -0.177 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.363 1.574 2.715 1.00 0.00 H new ATOM 645 N ASP A 40 -4.497 3.505 5.405 1.00 0.00 N ATOM 646 CA ASP A 40 -5.094 4.807 5.227 1.00 0.00 C ATOM 647 C ASP A 40 -4.440 5.448 4.008 1.00 0.00 C ATOM 648 O ASP A 40 -3.228 5.708 4.016 1.00 0.00 O ATOM 649 CB ASP A 40 -4.779 5.635 6.480 1.00 0.00 C ATOM 650 CG ASP A 40 -5.400 7.007 6.521 1.00 0.00 C ATOM 651 OD1 ASP A 40 -4.909 7.931 5.853 1.00 0.00 O ATOM 652 OD2 ASP A 40 -6.398 7.195 7.262 1.00 0.00 O ATOM 0 H ASP A 40 -3.554 3.558 5.791 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.173 4.747 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.111 5.078 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.697 5.742 6.562 1.00 0.00 H new ATOM 657 N THR A 41 -5.191 5.617 2.948 1.00 0.00 N ATOM 658 CA THR A 41 -4.658 6.188 1.740 1.00 0.00 C ATOM 659 C THR A 41 -5.096 7.656 1.504 1.00 0.00 C ATOM 660 O THR A 41 -6.257 8.037 1.768 1.00 0.00 O ATOM 661 CB THR A 41 -4.955 5.290 0.530 1.00 0.00 C ATOM 662 OG1 THR A 41 -6.251 4.664 0.694 1.00 0.00 O ATOM 663 CG2 THR A 41 -3.867 4.226 0.372 1.00 0.00 C ATOM 0 H THR A 41 -6.178 5.365 2.899 1.00 0.00 H new ATOM 0 HA THR A 41 -3.576 6.232 1.868 1.00 0.00 H new ATOM 0 HB THR A 41 -4.966 5.903 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.439 4.093 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.094 3.599 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.902 4.711 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.829 3.609 1.270 1.00 0.00 H new ATOM 671 N PRO A 42 -4.171 8.489 0.980 1.00 0.00 N ATOM 672 CA PRO A 42 -4.366 9.930 0.808 1.00 0.00 C ATOM 673 C PRO A 42 -4.948 10.328 -0.563 1.00 0.00 C ATOM 674 O PRO A 42 -4.757 11.461 -1.024 1.00 0.00 O ATOM 675 CB PRO A 42 -2.928 10.437 0.923 1.00 0.00 C ATOM 676 CG PRO A 42 -2.110 9.384 0.266 1.00 0.00 C ATOM 677 CD PRO A 42 -2.821 8.082 0.517 1.00 0.00 C ATOM 0 HA PRO A 42 -5.081 10.335 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.806 11.401 0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.637 10.574 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.015 9.576 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.101 9.362 0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.876 7.477 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.305 7.485 1.269 1.00 0.00 H new ATOM 910 N GLU A 57 -0.045 10.370 -5.595 1.00 0.00 N ATOM 911 CA GLU A 57 1.061 9.595 -6.112 1.00 0.00 C ATOM 912 C GLU A 57 0.911 8.128 -5.710 1.00 0.00 C ATOM 913 O GLU A 57 1.410 7.239 -6.395 1.00 0.00 O ATOM 914 CB GLU A 57 2.394 10.183 -5.627 1.00 0.00 C ATOM 915 CG GLU A 57 3.625 9.441 -6.120 1.00 0.00 C ATOM 916 CD GLU A 57 4.904 10.104 -5.708 1.00 0.00 C ATOM 917 OE1 GLU A 57 5.264 10.060 -4.525 1.00 0.00 O ATOM 918 OE2 GLU A 57 5.604 10.667 -6.576 1.00 0.00 O ATOM 0 HA GLU A 57 1.055 9.643 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.458 11.222 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.400 10.187 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.608 8.422 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.591 9.371 -7.207 1.00 0.00 H new ATOM 925 N ALA A 58 0.171 7.889 -4.623 1.00 0.00 N ATOM 926 CA ALA A 58 -0.109 6.542 -4.140 1.00 0.00 C ATOM 927 C ALA A 58 -0.745 5.710 -5.253 1.00 0.00 C ATOM 928 O ALA A 58 -0.285 4.623 -5.552 1.00 0.00 O ATOM 929 CB ALA A 58 -1.034 6.601 -2.921 1.00 0.00 C ATOM 0 H ALA A 58 -0.249 8.626 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 58 0.827 6.070 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.236 5.590 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.553 7.173 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.971 7.083 -3.199 1.00 0.00 H new ATOM 935 N SER A 59 -1.742 6.290 -5.911 1.00 0.00 N ATOM 936 CA SER A 59 -2.476 5.649 -6.997 1.00 0.00 C ATOM 937 C SER A 59 -1.558 5.268 -8.182 1.00 0.00 C ATOM 938 O SER A 59 -1.814 4.287 -8.899 1.00 0.00 O ATOM 939 CB SER A 59 -3.560 6.610 -7.460 1.00 0.00 C ATOM 940 OG SER A 59 -4.311 7.070 -6.345 1.00 0.00 O ATOM 0 H SER A 59 -2.069 7.233 -5.702 1.00 0.00 H new ATOM 0 HA SER A 59 -2.909 4.719 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.110 7.456 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.218 6.113 -8.172 1.00 0.00 H new ATOM 0 HG SER A 59 -5.006 7.690 -6.652 1.00 0.00 H new ATOM 946 N ALA A 60 -0.499 6.035 -8.378 1.00 0.00 N ATOM 947 CA ALA A 60 0.441 5.793 -9.455 1.00 0.00 C ATOM 948 C ALA A 60 1.477 4.774 -9.016 1.00 0.00 C ATOM 949 O ALA A 60 1.924 3.942 -9.804 1.00 0.00 O ATOM 950 CB ALA A 60 1.116 7.090 -9.878 1.00 0.00 C ATOM 0 H ALA A 60 -0.269 6.840 -7.796 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.102 5.397 -10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.818 6.888 -10.687 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.361 7.798 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.653 7.514 -9.030 1.00 0.00 H new ATOM 956 N PHE A 61 1.833 4.830 -7.748 1.00 0.00 N ATOM 957 CA PHE A 61 2.803 3.926 -7.172 1.00 0.00 C ATOM 958 C PHE A 61 2.255 2.503 -7.170 1.00 0.00 C ATOM 959 O PHE A 61 2.942 1.564 -7.604 1.00 0.00 O ATOM 960 CB PHE A 61 3.171 4.379 -5.765 1.00 0.00 C ATOM 961 CG PHE A 61 4.204 3.527 -5.082 1.00 0.00 C ATOM 962 CD1 PHE A 61 5.495 3.438 -5.572 1.00 0.00 C ATOM 963 CD2 PHE A 61 3.886 2.845 -3.930 1.00 0.00 C ATOM 964 CE1 PHE A 61 6.444 2.674 -4.921 1.00 0.00 C ATOM 965 CE2 PHE A 61 4.822 2.084 -3.275 1.00 0.00 C ATOM 966 CZ PHE A 61 6.106 1.995 -3.770 1.00 0.00 C ATOM 0 H PHE A 61 1.454 5.508 -7.087 1.00 0.00 H new ATOM 0 HA PHE A 61 3.710 3.938 -7.777 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.538 5.404 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.268 4.392 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.763 3.971 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.883 2.910 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.448 2.609 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.553 1.555 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.844 1.396 -3.258 1.00 0.00 H new ATOM 976 N THR A 62 1.010 2.363 -6.712 1.00 0.00 N ATOM 977 CA THR A 62 0.297 1.101 -6.718 1.00 0.00 C ATOM 978 C THR A 62 0.262 0.552 -8.132 1.00 0.00 C ATOM 979 O THR A 62 0.557 -0.625 -8.366 1.00 0.00 O ATOM 980 CB THR A 62 -1.148 1.327 -6.250 1.00 0.00 C ATOM 981 OG1 THR A 62 -1.119 1.966 -4.989 1.00 0.00 O ATOM 982 CG2 THR A 62 -1.917 0.014 -6.140 1.00 0.00 C ATOM 0 H THR A 62 0.469 3.136 -6.324 1.00 0.00 H new ATOM 0 HA THR A 62 0.801 0.400 -6.053 1.00 0.00 H new ATOM 0 HB THR A 62 -1.659 1.948 -6.986 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.821 1.592 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.935 0.215 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.944 -0.474 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.422 -0.639 -5.421 1.00 0.00 H new ATOM 990 N LYS A 63 -0.049 1.443 -9.066 1.00 0.00 N ATOM 991 CA LYS A 63 -0.158 1.120 -10.462 1.00 0.00 C ATOM 992 C LYS A 63 1.137 0.507 -10.981 1.00 0.00 C ATOM 993 O LYS A 63 1.125 -0.575 -11.544 1.00 0.00 O ATOM 994 CB LYS A 63 -0.514 2.368 -11.255 1.00 0.00 C ATOM 995 CG LYS A 63 -0.786 2.098 -12.710 1.00 0.00 C ATOM 996 CD LYS A 63 -1.125 3.364 -13.449 1.00 0.00 C ATOM 997 CE LYS A 63 -1.501 3.070 -14.888 1.00 0.00 C ATOM 998 NZ LYS A 63 -1.843 4.294 -15.632 1.00 0.00 N ATOM 0 H LYS A 63 -0.234 2.425 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.951 0.383 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.393 2.833 -10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.302 3.086 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.088 1.632 -13.165 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.609 1.389 -12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.951 3.870 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.273 4.043 -13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.672 2.565 -15.383 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.349 2.385 -14.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.094 4.047 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.651 4.763 -15.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.026 4.938 -15.636 1.00 0.00 H new ATOM 1012 N LYS A 64 2.247 1.188 -10.741 1.00 0.00 N ATOM 1013 CA LYS A 64 3.570 0.716 -11.171 1.00 0.00 C ATOM 1014 C LYS A 64 3.865 -0.682 -10.649 1.00 0.00 C ATOM 1015 O LYS A 64 4.348 -1.541 -11.395 1.00 0.00 O ATOM 1016 CB LYS A 64 4.677 1.677 -10.726 1.00 0.00 C ATOM 1017 CG LYS A 64 4.595 3.063 -11.335 1.00 0.00 C ATOM 1018 CD LYS A 64 5.665 3.981 -10.755 1.00 0.00 C ATOM 1019 CE LYS A 64 5.548 5.395 -11.303 1.00 0.00 C ATOM 1020 NZ LYS A 64 6.568 6.302 -10.727 1.00 0.00 N ATOM 0 H LYS A 64 2.265 2.080 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 64 3.551 0.681 -12.260 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.644 1.769 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.643 1.240 -10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.716 2.996 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.608 3.487 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.576 4.003 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.652 3.581 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.654 5.373 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.553 5.786 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.452 7.255 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.451 6.344 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.518 5.945 -10.954 1.00 0.00 H new ATOM 1034 N MET A 65 3.551 -0.911 -9.391 1.00 0.00 N ATOM 1035 CA MET A 65 3.778 -2.207 -8.762 1.00 0.00 C ATOM 1036 C MET A 65 2.958 -3.273 -9.458 1.00 0.00 C ATOM 1037 O MET A 65 3.485 -4.286 -9.915 1.00 0.00 O ATOM 1038 CB MET A 65 3.383 -2.178 -7.285 1.00 0.00 C ATOM 1039 CG MET A 65 4.089 -1.157 -6.388 1.00 0.00 C ATOM 1040 SD MET A 65 5.861 -1.458 -6.095 1.00 0.00 S ATOM 1041 CE MET A 65 6.642 -0.844 -7.593 1.00 0.00 C ATOM 0 H MET A 65 3.134 -0.213 -8.775 1.00 0.00 H new ATOM 0 HA MET A 65 4.841 -2.434 -8.845 1.00 0.00 H new ATOM 0 HB2 MET A 65 2.310 -1.993 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.559 -3.170 -6.869 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.976 -0.169 -6.834 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.579 -1.132 -5.425 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.017 -1.684 -8.178 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.912 -0.288 -8.182 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.471 -0.187 -7.328 1.00 0.00 H new ATOM 1051 N VAL A 66 1.682 -3.009 -9.600 1.00 0.00 N ATOM 1052 CA VAL A 66 0.773 -4.006 -10.147 1.00 0.00 C ATOM 1053 C VAL A 66 0.904 -4.200 -11.664 1.00 0.00 C ATOM 1054 O VAL A 66 0.601 -5.274 -12.176 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.713 -3.813 -9.725 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.864 -3.982 -8.219 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.240 -2.461 -10.156 1.00 0.00 C ATOM 0 H VAL A 66 1.245 -2.122 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 66 1.106 -4.934 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.303 -4.579 -10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.909 -3.844 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.541 -4.982 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.251 -3.241 -7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.280 -2.360 -9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.645 -1.674 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.175 -2.374 -11.241 1.00 0.00 H new ATOM 1067 N GLU A 67 1.362 -3.187 -12.385 1.00 0.00 N ATOM 1068 CA GLU A 67 1.585 -3.349 -13.816 1.00 0.00 C ATOM 1069 C GLU A 67 2.849 -4.147 -14.062 1.00 0.00 C ATOM 1070 O GLU A 67 2.957 -4.872 -15.053 1.00 0.00 O ATOM 1071 CB GLU A 67 1.657 -2.022 -14.556 1.00 0.00 C ATOM 1072 CG GLU A 67 0.391 -1.200 -14.483 1.00 0.00 C ATOM 1073 CD GLU A 67 0.492 0.047 -15.304 1.00 0.00 C ATOM 1074 OE1 GLU A 67 1.404 0.849 -15.068 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -0.317 0.234 -16.220 1.00 0.00 O ATOM 0 H GLU A 67 1.583 -2.263 -12.014 1.00 0.00 H new ATOM 0 HA GLU A 67 0.724 -3.889 -14.210 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.481 -1.436 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.891 -2.215 -15.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.451 -1.798 -14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.188 -0.937 -13.445 1.00 0.00 H new ATOM 1082 N ASN A 68 3.809 -4.028 -13.164 1.00 0.00 N ATOM 1083 CA ASN A 68 5.040 -4.802 -13.280 1.00 0.00 C ATOM 1084 C ASN A 68 4.843 -6.205 -12.770 1.00 0.00 C ATOM 1085 O ASN A 68 5.596 -7.114 -13.130 1.00 0.00 O ATOM 1086 CB ASN A 68 6.247 -4.136 -12.601 1.00 0.00 C ATOM 1087 CG ASN A 68 6.831 -2.995 -13.418 1.00 0.00 C ATOM 1088 OD1 ASN A 68 7.679 -3.213 -14.288 1.00 0.00 O ATOM 1089 ND2 ASN A 68 6.416 -1.787 -13.146 1.00 0.00 N ATOM 0 H ASN A 68 3.766 -3.411 -12.353 1.00 0.00 H new ATOM 0 HA ASN A 68 5.274 -4.842 -14.344 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.945 -3.759 -11.624 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.020 -4.885 -12.429 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.794 -0.990 -13.659 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.714 -1.640 -12.421 1.00 0.00 H new ATOM 1096 N ALA A 69 3.806 -6.383 -11.969 1.00 0.00 N ATOM 1097 CA ALA A 69 3.443 -7.671 -11.419 1.00 0.00 C ATOM 1098 C ALA A 69 3.194 -8.686 -12.508 1.00 0.00 C ATOM 1099 O ALA A 69 2.324 -8.501 -13.365 1.00 0.00 O ATOM 1100 CB ALA A 69 2.209 -7.556 -10.567 1.00 0.00 C ATOM 0 H ALA A 69 3.187 -5.625 -11.681 1.00 0.00 H new ATOM 0 HA ALA A 69 4.281 -8.007 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.953 -8.536 -10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.396 -6.863 -9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.382 -7.186 -11.173 1.00 0.00 H new ATOM 1106 N LYS A 70 3.983 -9.726 -12.487 1.00 0.00 N ATOM 1107 CA LYS A 70 3.845 -10.829 -13.406 1.00 0.00 C ATOM 1108 C LYS A 70 2.546 -11.558 -13.099 1.00 0.00 C ATOM 1109 O LYS A 70 1.800 -11.971 -13.989 1.00 0.00 O ATOM 1110 CB LYS A 70 5.038 -11.753 -13.229 1.00 0.00 C ATOM 1111 CG LYS A 70 6.382 -11.084 -13.486 1.00 0.00 C ATOM 1112 CD LYS A 70 6.511 -10.618 -14.929 1.00 0.00 C ATOM 1113 CE LYS A 70 7.817 -9.875 -15.166 1.00 0.00 C ATOM 1114 NZ LYS A 70 8.999 -10.697 -14.838 1.00 0.00 N ATOM 0 H LYS A 70 4.750 -9.835 -11.824 1.00 0.00 H new ATOM 0 HA LYS A 70 3.816 -10.480 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.030 -12.150 -12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.931 -12.602 -13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.498 -10.232 -12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.186 -11.783 -13.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.456 -11.479 -15.596 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.672 -9.968 -15.178 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.871 -9.565 -16.210 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.830 -8.967 -14.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.859 -10.217 -15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.054 -10.830 -13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.917 -11.624 -15.303 1.00 0.00 H new ATOM 1128 N LYS A 71 2.297 -11.690 -11.832 1.00 0.00 N ATOM 1129 CA LYS A 71 1.083 -12.237 -11.309 1.00 0.00 C ATOM 1130 C LYS A 71 0.621 -11.359 -10.169 1.00 0.00 C ATOM 1131 O LYS A 71 1.426 -10.963 -9.336 1.00 0.00 O ATOM 1132 CB LYS A 71 1.273 -13.687 -10.820 1.00 0.00 C ATOM 1133 CG LYS A 71 2.484 -13.901 -9.918 1.00 0.00 C ATOM 1134 CD LYS A 71 2.434 -15.253 -9.228 1.00 0.00 C ATOM 1135 CE LYS A 71 3.718 -15.558 -8.454 1.00 0.00 C ATOM 1136 NZ LYS A 71 4.124 -14.468 -7.544 1.00 0.00 N ATOM 0 H LYS A 71 2.958 -11.409 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 71 0.335 -12.263 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.377 -13.995 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.363 -14.340 -11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.397 -13.827 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.525 -13.110 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.586 -15.278 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.267 -16.032 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.577 -16.471 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.524 -15.750 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.570 -14.872 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.802 -13.846 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.286 -13.918 -7.266 1.00 0.00 H new ATOM 1150 N ILE A 72 -0.623 -10.995 -10.167 1.00 0.00 N ATOM 1151 CA ILE A 72 -1.170 -10.241 -9.079 1.00 0.00 C ATOM 1152 C ILE A 72 -1.883 -11.210 -8.183 1.00 0.00 C ATOM 1153 O ILE A 72 -2.576 -12.102 -8.667 1.00 0.00 O ATOM 1154 CB ILE A 72 -2.127 -9.140 -9.584 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -1.339 -8.213 -10.507 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.735 -8.360 -8.413 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -2.114 -7.048 -11.045 1.00 0.00 C ATOM 0 H ILE A 72 -1.285 -11.209 -10.913 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.376 -9.730 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.956 -9.591 -10.130 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.473 -7.835 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.960 -8.797 -11.346 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.405 -7.591 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.295 -9.042 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.938 -7.892 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.470 -6.449 -11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.965 -7.412 -11.620 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.471 -6.435 -10.217 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.668 -11.098 -6.915 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.234 -12.025 -5.981 1.00 0.00 C ATOM 1171 C GLU A 73 -2.931 -11.242 -4.889 1.00 0.00 C ATOM 1172 O GLU A 73 -2.437 -10.210 -4.459 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.102 -12.856 -5.372 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.183 -13.520 -6.406 1.00 0.00 C ATOM 1175 CD GLU A 73 1.127 -14.024 -5.824 1.00 0.00 C ATOM 1176 OE1 GLU A 73 1.129 -15.063 -5.136 1.00 0.00 O ATOM 1177 OE2 GLU A 73 2.189 -13.388 -6.074 1.00 0.00 O ATOM 0 H GLU A 73 -1.097 -10.365 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.948 -12.683 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.501 -12.214 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.535 -13.629 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.711 -14.355 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.033 -12.805 -7.199 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.063 -11.705 -4.455 1.00 0.00 N ATOM 1185 CA VAL A 74 -4.788 -11.044 -3.389 1.00 0.00 C ATOM 1186 C VAL A 74 -4.878 -11.976 -2.171 1.00 0.00 C ATOM 1187 O VAL A 74 -5.294 -13.124 -2.295 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.212 -10.569 -3.858 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.094 -9.588 -5.014 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.085 -11.732 -4.284 1.00 0.00 C ATOM 0 H VAL A 74 -4.516 -12.543 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.241 -10.146 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.680 -10.081 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.089 -9.271 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.519 -8.719 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.589 -10.071 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.059 -11.359 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.611 -12.258 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.213 -12.417 -3.446 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.423 -11.517 -1.030 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.430 -12.325 0.179 1.00 0.00 C ATOM 1202 C GLU A 75 -5.521 -11.874 1.107 1.00 0.00 C ATOM 1203 O GLU A 75 -5.476 -10.772 1.638 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.094 -12.223 0.889 1.00 0.00 C ATOM 1205 CG GLU A 75 -2.911 -13.157 2.086 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.565 -12.948 2.770 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -0.561 -13.597 2.371 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -1.470 -12.139 3.695 1.00 0.00 O ATOM 0 H GLU A 75 -4.039 -10.580 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.609 -13.361 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.303 -12.426 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.960 -11.196 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.713 -12.988 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.993 -14.192 1.755 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.499 -12.696 1.281 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.576 -12.387 2.188 1.00 0.00 C ATOM 1217 C PHE A 76 -7.152 -12.746 3.597 1.00 0.00 C ATOM 1218 O PHE A 76 -6.427 -13.743 3.788 1.00 0.00 O ATOM 1219 CB PHE A 76 -8.853 -13.122 1.776 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.309 -12.744 0.396 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -9.908 -11.518 0.166 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.120 -13.599 -0.672 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.317 -11.154 -1.101 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.523 -13.241 -1.937 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.124 -12.018 -2.152 1.00 0.00 C ATOM 0 H PHE A 76 -6.584 -13.596 0.808 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.796 -11.320 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.680 -14.197 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.645 -12.899 2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.058 -10.836 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.651 -14.559 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.786 -10.195 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.369 -13.919 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.443 -11.740 -3.146 1.00 0.00 H new ATOM 1235 N ASP A 77 -7.568 -11.928 4.561 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.185 -12.112 5.966 1.00 0.00 C ATOM 1237 C ASP A 77 -8.167 -13.108 6.618 1.00 0.00 C ATOM 1238 O ASP A 77 -9.006 -13.691 5.926 1.00 0.00 O ATOM 1239 CB ASP A 77 -7.181 -10.742 6.709 1.00 0.00 C ATOM 1240 CG ASP A 77 -6.315 -10.715 7.987 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -6.738 -11.225 9.030 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -5.203 -10.152 7.961 1.00 0.00 O ATOM 0 H ASP A 77 -8.175 -11.125 4.397 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.175 -12.517 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.823 -9.972 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.206 -10.482 6.973 1.00 0.00 H new ATOM 1247 N LYS A 78 -8.115 -13.260 7.923 1.00 0.00 N ATOM 1248 CA LYS A 78 -8.901 -14.284 8.600 1.00 0.00 C ATOM 1249 C LYS A 78 -10.349 -13.866 8.855 1.00 0.00 C ATOM 1250 O LYS A 78 -11.128 -14.641 9.418 1.00 0.00 O ATOM 1251 CB LYS A 78 -8.246 -14.698 9.921 1.00 0.00 C ATOM 1252 CG LYS A 78 -8.084 -13.564 10.929 1.00 0.00 C ATOM 1253 CD LYS A 78 -7.557 -14.066 12.266 1.00 0.00 C ATOM 1254 CE LYS A 78 -8.580 -14.940 12.991 1.00 0.00 C ATOM 1255 NZ LYS A 78 -8.045 -15.481 14.254 1.00 0.00 N ATOM 0 H LYS A 78 -7.538 -12.690 8.542 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.925 -15.135 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.843 -15.489 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.264 -15.121 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.401 -12.816 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.045 -13.071 11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.642 -14.636 12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.295 -13.215 12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.476 -14.355 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.879 -15.763 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.769 -16.068 14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.205 -16.061 14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.783 -14.696 14.884 1.00 0.00 H new ATOM 1269 N GLY A 79 -10.709 -12.668 8.468 1.00 0.00 N ATOM 1270 CA GLY A 79 -12.046 -12.196 8.712 1.00 0.00 C ATOM 1271 C GLY A 79 -12.888 -12.124 7.463 1.00 0.00 C ATOM 1272 O GLY A 79 -13.309 -13.152 6.921 1.00 0.00 O ATOM 0 H GLY A 79 -10.099 -12.007 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.531 -12.855 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.998 -11.207 9.167 1.00 0.00 H new ATOM 1276 N GLN A 80 -13.128 -10.919 6.997 1.00 0.00 N ATOM 1277 CA GLN A 80 -13.941 -10.708 5.829 1.00 0.00 C ATOM 1278 C GLN A 80 -13.131 -10.755 4.597 1.00 0.00 C ATOM 1279 O GLN A 80 -12.006 -10.250 4.542 1.00 0.00 O ATOM 1280 CB GLN A 80 -14.699 -9.397 5.846 1.00 0.00 C ATOM 1281 CG GLN A 80 -15.838 -9.348 6.815 1.00 0.00 C ATOM 1282 CD GLN A 80 -16.607 -8.034 6.751 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -15.943 -6.960 6.382 1.00 0.00 O flip ATOM 1284 NE2 GLN A 80 -17.805 -7.991 7.018 1.00 0.00 N flip ATOM 0 H GLN A 80 -12.765 -10.063 7.418 1.00 0.00 H new ATOM 0 HA GLN A 80 -14.667 -11.521 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.002 -8.593 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.082 -9.201 4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.520 -10.174 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.456 -9.492 7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -18.295 -8.839 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.310 -7.107 6.956 1.00 0.00 H new ATOM 1293 N ARG A 81 -13.713 -11.325 3.622 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.109 -11.436 2.331 1.00 0.00 C ATOM 1295 C ARG A 81 -13.452 -10.196 1.512 1.00 0.00 C ATOM 1296 O ARG A 81 -12.624 -9.660 0.777 1.00 0.00 O ATOM 1297 CB ARG A 81 -13.609 -12.713 1.649 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.025 -12.978 0.290 1.00 0.00 C ATOM 1299 CD ARG A 81 -13.450 -14.331 -0.211 1.00 0.00 C ATOM 1300 NE ARG A 81 -14.909 -14.431 -0.391 1.00 0.00 N ATOM 1301 CZ ARG A 81 -15.575 -15.566 -0.632 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -14.939 -16.732 -0.619 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -16.881 -15.523 -0.858 1.00 0.00 N ATOM 0 H ARG A 81 -14.642 -11.741 3.684 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.024 -11.499 2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.387 -13.562 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.694 -12.657 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.349 -12.207 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -11.937 -12.927 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.955 -14.536 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.120 -15.096 0.492 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.452 -13.570 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.938 -16.765 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.451 -17.594 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.371 -14.629 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.395 -16.384 -1.042 1.00 0.00 H new ATOM 1317 N THR A 82 -14.660 -9.720 1.673 1.00 0.00 N ATOM 1318 CA THR A 82 -15.127 -8.574 0.939 1.00 0.00 C ATOM 1319 C THR A 82 -15.969 -7.696 1.841 1.00 0.00 C ATOM 1320 O THR A 82 -16.538 -8.180 2.822 1.00 0.00 O ATOM 1321 CB THR A 82 -15.989 -9.009 -0.287 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.020 -9.925 0.138 1.00 0.00 O ATOM 1323 CG2 THR A 82 -15.149 -9.680 -1.367 1.00 0.00 C ATOM 0 H THR A 82 -15.346 -10.116 2.316 1.00 0.00 H new ATOM 0 HA THR A 82 -14.256 -8.023 0.583 1.00 0.00 H new ATOM 0 HB THR A 82 -16.430 -8.106 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.559 -10.193 -0.636 1.00 0.00 H new ATOM 0 HG21 THR A 82 -15.790 -9.966 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.385 -8.986 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 82 -14.670 -10.569 -0.956 1.00 0.00 H new ATOM 1331 N ASP A 83 -16.008 -6.431 1.550 1.00 0.00 N ATOM 1332 CA ASP A 83 -16.909 -5.511 2.211 1.00 0.00 C ATOM 1333 C ASP A 83 -18.329 -5.698 1.627 1.00 0.00 C ATOM 1334 O ASP A 83 -18.477 -6.340 0.573 1.00 0.00 O ATOM 1335 CB ASP A 83 -16.412 -4.076 1.997 1.00 0.00 C ATOM 1336 CG ASP A 83 -17.391 -3.046 2.464 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -17.574 -2.889 3.683 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -18.054 -2.440 1.615 1.00 0.00 O ATOM 0 H ASP A 83 -15.415 -5.996 0.843 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.940 -5.708 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.469 -3.940 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.207 -3.922 0.938 1.00 0.00 H new ATOM 1343 N LYS A 84 -19.356 -5.143 2.284 1.00 0.00 N ATOM 1344 CA LYS A 84 -20.738 -5.256 1.821 1.00 0.00 C ATOM 1345 C LYS A 84 -20.904 -4.654 0.423 1.00 0.00 C ATOM 1346 O LYS A 84 -21.687 -5.148 -0.374 1.00 0.00 O ATOM 1347 CB LYS A 84 -21.707 -4.546 2.791 1.00 0.00 C ATOM 1348 CG LYS A 84 -23.162 -4.581 2.322 1.00 0.00 C ATOM 1349 CD LYS A 84 -24.093 -3.804 3.226 1.00 0.00 C ATOM 1350 CE LYS A 84 -25.530 -3.847 2.699 1.00 0.00 C ATOM 1351 NZ LYS A 84 -25.654 -3.237 1.345 1.00 0.00 N ATOM 0 H LYS A 84 -19.250 -4.607 3.145 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.977 -6.319 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -21.637 -5.015 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.395 -3.508 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -23.222 -4.175 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -23.496 -5.617 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -24.058 -4.219 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -23.758 -2.769 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -25.870 -4.882 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -26.185 -3.321 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.658 -3.072 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -25.142 -2.332 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.249 -3.881 0.636 1.00 0.00 H new ATOM 1365 N TYR A 85 -20.110 -3.640 0.103 1.00 0.00 N ATOM 1366 CA TYR A 85 -20.191 -2.980 -1.204 1.00 0.00 C ATOM 1367 C TYR A 85 -19.481 -3.787 -2.292 1.00 0.00 C ATOM 1368 O TYR A 85 -19.400 -3.362 -3.446 1.00 0.00 O ATOM 1369 CB TYR A 85 -19.628 -1.552 -1.144 1.00 0.00 C ATOM 1370 CG TYR A 85 -20.466 -0.566 -0.345 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -20.443 -0.556 1.045 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -21.261 0.371 -0.990 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -21.188 0.353 1.767 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -22.010 1.281 -0.276 1.00 0.00 C ATOM 1375 CZ TYR A 85 -21.968 1.269 1.103 1.00 0.00 C ATOM 1376 OH TYR A 85 -22.713 2.183 1.823 1.00 0.00 O ATOM 0 H TYR A 85 -19.402 -3.253 0.727 1.00 0.00 H new ATOM 0 HA TYR A 85 -21.248 -2.923 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.628 -1.589 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.522 -1.176 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -19.830 -1.274 1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -21.293 0.387 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -21.159 0.345 2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.627 2.000 -0.794 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.208 2.761 1.205 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.965 -4.943 -1.917 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.305 -5.812 -2.858 1.00 0.00 C ATOM 1388 C GLY A 86 -16.879 -5.414 -3.085 1.00 0.00 C ATOM 1389 O GLY A 86 -16.286 -5.747 -4.108 1.00 0.00 O ATOM 0 H GLY A 86 -18.994 -5.298 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.341 -6.838 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.842 -5.794 -3.806 1.00 0.00 H new ATOM 1393 N ARG A 87 -16.342 -4.662 -2.158 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.962 -4.271 -2.208 1.00 0.00 C ATOM 1395 C ARG A 87 -14.142 -5.380 -1.604 1.00 0.00 C ATOM 1396 O ARG A 87 -14.415 -5.803 -0.492 1.00 0.00 O ATOM 1397 CB ARG A 87 -14.713 -2.975 -1.420 1.00 0.00 C ATOM 1398 CG ARG A 87 -15.604 -1.805 -1.807 1.00 0.00 C ATOM 1399 CD ARG A 87 -15.492 -1.458 -3.281 1.00 0.00 C ATOM 1400 NE ARG A 87 -16.292 -0.280 -3.608 1.00 0.00 N ATOM 1401 CZ ARG A 87 -16.732 0.061 -4.827 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -16.583 -0.762 -5.863 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -17.360 1.207 -4.991 1.00 0.00 N ATOM 0 H ARG A 87 -16.851 -4.305 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.683 -4.090 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -14.851 -3.181 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.672 -2.680 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.640 -2.047 -1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.336 -0.934 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.448 -1.274 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.823 -2.304 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.538 0.340 -2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.129 -1.666 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -16.923 -0.488 -6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.508 1.826 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.699 1.475 -5.915 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.191 -5.877 -2.336 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.339 -6.916 -1.824 1.00 0.00 C ATOM 1419 C GLY A 88 -11.445 -6.398 -0.727 1.00 0.00 C ATOM 1420 O GLY A 88 -10.898 -5.296 -0.839 1.00 0.00 O ATOM 0 H GLY A 88 -12.983 -5.582 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.949 -7.735 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.730 -7.321 -2.632 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.326 -7.156 0.329 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.495 -6.783 1.441 1.00 0.00 C ATOM 1426 C LEU A 89 -9.326 -7.734 1.473 1.00 0.00 C ATOM 1427 O LEU A 89 -9.406 -8.809 2.068 1.00 0.00 O ATOM 1428 CB LEU A 89 -11.282 -6.873 2.763 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.594 -6.085 2.839 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -13.245 -6.268 4.197 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -12.368 -4.613 2.556 1.00 0.00 C ATOM 0 H LEU A 89 -11.803 -8.050 0.443 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.155 -5.754 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.504 -7.923 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.633 -6.531 3.569 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.264 -6.476 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.176 -5.702 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.457 -7.325 4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.571 -5.909 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.317 -4.081 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.674 -4.204 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.950 -4.495 1.556 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.262 -7.381 0.803 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.149 -8.282 0.677 1.00 0.00 C ATOM 1445 C ALA A 90 -5.843 -7.547 0.591 1.00 0.00 C ATOM 1446 O ALA A 90 -5.798 -6.379 0.198 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.321 -9.142 -0.564 1.00 0.00 C ATOM 0 H ALA A 90 -8.143 -6.481 0.338 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.129 -8.907 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.475 -9.823 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.243 -9.718 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.369 -8.503 -1.446 1.00 0.00 H new ATOM 1453 N TYR A 91 -4.795 -8.229 0.974 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.459 -7.735 0.837 1.00 0.00 C ATOM 1455 C TYR A 91 -3.053 -8.080 -0.559 1.00 0.00 C ATOM 1456 O TYR A 91 -2.970 -9.249 -0.917 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.497 -8.412 1.821 1.00 0.00 C ATOM 1458 CG TYR A 91 -2.884 -8.289 3.271 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -3.718 -9.226 3.863 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.411 -7.248 4.052 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -4.073 -9.132 5.182 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -2.766 -7.143 5.381 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.601 -8.090 5.940 1.00 0.00 C ATOM 1464 OH TYR A 91 -3.932 -8.015 7.274 1.00 0.00 O ATOM 0 H TYR A 91 -4.852 -9.156 1.395 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.423 -6.665 1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.426 -9.470 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.503 -7.984 1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.095 -10.047 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.756 -6.509 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.721 -9.874 5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.393 -6.325 5.980 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.643 -8.660 7.471 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.848 -7.107 -1.342 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.583 -7.319 -2.711 1.00 0.00 C ATOM 1476 C ILE A 92 -1.101 -7.365 -2.957 1.00 0.00 C ATOM 1477 O ILE A 92 -0.362 -6.444 -2.609 1.00 0.00 O ATOM 1478 CB ILE A 92 -3.294 -6.260 -3.573 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.802 -6.344 -3.274 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -3.015 -6.490 -5.064 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.647 -5.339 -3.992 1.00 0.00 C ATOM 0 H ILE A 92 -2.858 -6.128 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.986 -8.287 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.920 -5.265 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.153 -7.343 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.952 -6.222 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.528 -5.729 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.942 -6.428 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.376 -7.477 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.692 -5.479 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.330 -4.333 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.535 -5.472 -5.068 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.677 -8.452 -3.494 1.00 0.00 N ATOM 1494 CA TYR A 93 0.689 -8.683 -3.805 1.00 0.00 C ATOM 1495 C TYR A 93 0.891 -8.528 -5.283 1.00 0.00 C ATOM 1496 O TYR A 93 0.122 -9.061 -6.091 1.00 0.00 O ATOM 1497 CB TYR A 93 1.127 -10.102 -3.402 1.00 0.00 C ATOM 1498 CG TYR A 93 1.141 -10.411 -1.917 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.034 -10.595 -1.207 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.339 -10.558 -1.237 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.011 -10.915 0.133 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.366 -10.873 0.108 1.00 0.00 C ATOM 1503 CZ TYR A 93 1.187 -11.052 0.784 1.00 0.00 C ATOM 1504 OH TYR A 93 1.202 -11.386 2.120 1.00 0.00 O ATOM 0 H TYR A 93 -1.290 -9.230 -3.737 1.00 0.00 H new ATOM 0 HA TYR A 93 1.287 -7.960 -3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.465 -10.815 -3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.129 -10.274 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.983 -10.486 -1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.270 -10.424 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.937 -11.058 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.309 -10.977 0.623 1.00 0.00 H new ATOM 0 HH TYR A 93 0.738 -12.239 2.249 1.00 0.00 H new ATOM 1514 N ALA A 94 1.900 -7.819 -5.634 1.00 0.00 N ATOM 1515 CA ALA A 94 2.286 -7.703 -6.982 1.00 0.00 C ATOM 1516 C ALA A 94 3.472 -8.600 -7.115 1.00 0.00 C ATOM 1517 O ALA A 94 4.557 -8.276 -6.642 1.00 0.00 O ATOM 1518 CB ALA A 94 2.673 -6.262 -7.274 1.00 0.00 C ATOM 0 H ALA A 94 2.485 -7.298 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 94 1.491 -7.974 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.972 -6.170 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.821 -5.610 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.504 -5.971 -6.631 1.00 0.00 H new ATOM 1524 N ASP A 95 3.244 -9.735 -7.738 1.00 0.00 N ATOM 1525 CA ASP A 95 4.220 -10.806 -7.892 1.00 0.00 C ATOM 1526 C ASP A 95 5.022 -11.062 -6.611 1.00 0.00 C ATOM 1527 O ASP A 95 6.237 -10.786 -6.521 1.00 0.00 O ATOM 1528 CB ASP A 95 5.095 -10.632 -9.127 1.00 0.00 C ATOM 1529 CG ASP A 95 6.043 -11.789 -9.335 1.00 0.00 C ATOM 1530 OD1 ASP A 95 5.586 -12.949 -9.318 1.00 0.00 O ATOM 1531 OD2 ASP A 95 7.250 -11.555 -9.517 1.00 0.00 O ATOM 0 H ASP A 95 2.345 -9.951 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 95 3.648 -11.718 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.459 -10.525 -10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.668 -9.710 -9.035 1.00 0.00 H new ATOM 1536 N GLY A 96 4.302 -11.499 -5.599 1.00 0.00 N ATOM 1537 CA GLY A 96 4.883 -11.805 -4.304 1.00 0.00 C ATOM 1538 C GLY A 96 5.195 -10.589 -3.420 1.00 0.00 C ATOM 1539 O GLY A 96 5.595 -10.756 -2.272 1.00 0.00 O ATOM 0 H GLY A 96 3.295 -11.653 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.200 -12.460 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.805 -12.365 -4.461 1.00 0.00 H new ATOM 1543 N LYS A 97 5.011 -9.386 -3.926 1.00 0.00 N ATOM 1544 CA LYS A 97 5.346 -8.176 -3.164 1.00 0.00 C ATOM 1545 C LYS A 97 4.079 -7.488 -2.697 1.00 0.00 C ATOM 1546 O LYS A 97 3.294 -7.040 -3.520 1.00 0.00 O ATOM 1547 CB LYS A 97 6.133 -7.229 -4.061 1.00 0.00 C ATOM 1548 CG LYS A 97 7.331 -7.893 -4.680 1.00 0.00 C ATOM 1549 CD LYS A 97 7.957 -7.055 -5.770 1.00 0.00 C ATOM 1550 CE LYS A 97 9.018 -7.852 -6.504 1.00 0.00 C ATOM 1551 NZ LYS A 97 8.440 -9.054 -7.165 1.00 0.00 N ATOM 0 H LYS A 97 4.633 -9.209 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 97 5.942 -8.450 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.481 -6.853 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.459 -6.367 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.073 -8.091 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.035 -8.858 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.190 -6.726 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.400 -6.158 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.497 -7.220 -7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.794 -8.159 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.805 -9.912 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.404 -9.031 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.707 -9.060 -8.170 1.00 0.00 H new ATOM 1565 N MET A 98 3.869 -7.413 -1.400 1.00 0.00 N ATOM 1566 CA MET A 98 2.668 -6.790 -0.860 1.00 0.00 C ATOM 1567 C MET A 98 2.670 -5.297 -1.152 1.00 0.00 C ATOM 1568 O MET A 98 3.451 -4.535 -0.571 1.00 0.00 O ATOM 1569 CB MET A 98 2.533 -7.019 0.645 1.00 0.00 C ATOM 1570 CG MET A 98 1.212 -6.503 1.213 1.00 0.00 C ATOM 1571 SD MET A 98 1.125 -6.578 3.012 1.00 0.00 S ATOM 1572 CE MET A 98 1.400 -8.322 3.287 1.00 0.00 C ATOM 0 H MET A 98 4.512 -7.774 -0.695 1.00 0.00 H new ATOM 0 HA MET A 98 1.814 -7.258 -1.349 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.620 -8.085 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.359 -6.526 1.157 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.066 -5.471 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 98 0.392 -7.086 0.793 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.707 -8.684 4.046 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.237 -8.867 2.357 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.424 -8.480 3.626 1.00 0.00 H new ATOM 1582 N VAL A 99 1.778 -4.888 -2.028 1.00 0.00 N ATOM 1583 CA VAL A 99 1.685 -3.516 -2.460 1.00 0.00 C ATOM 1584 C VAL A 99 1.262 -2.635 -1.302 1.00 0.00 C ATOM 1585 O VAL A 99 1.785 -1.556 -1.134 1.00 0.00 O ATOM 1586 CB VAL A 99 0.686 -3.354 -3.640 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.662 -1.922 -4.154 1.00 0.00 C ATOM 1588 CG2 VAL A 99 1.029 -4.307 -4.770 1.00 0.00 C ATOM 0 H VAL A 99 1.092 -5.506 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 99 2.671 -3.210 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.307 -3.597 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.046 -1.843 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.359 -1.252 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.657 -1.644 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.317 -4.176 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.036 -4.096 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.981 -5.334 -4.407 1.00 0.00 H new ATOM 1598 N ASN A 100 0.354 -3.149 -0.472 1.00 0.00 N ATOM 1599 CA ASN A 100 -0.166 -2.402 0.693 1.00 0.00 C ATOM 1600 C ASN A 100 0.991 -2.015 1.619 1.00 0.00 C ATOM 1601 O ASN A 100 1.060 -0.887 2.099 1.00 0.00 O ATOM 1602 CB ASN A 100 -1.175 -3.245 1.497 1.00 0.00 C ATOM 1603 CG ASN A 100 -2.202 -3.965 0.641 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.941 -5.071 0.199 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -3.347 -3.379 0.390 1.00 0.00 N ATOM 0 H ASN A 100 -0.043 -4.082 -0.578 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.670 -1.512 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.629 -3.981 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.695 -2.596 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -4.045 -3.849 -0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.541 -2.453 0.772 1.00 0.00 H new ATOM 1612 N GLU A 101 1.921 -2.955 1.830 1.00 0.00 N ATOM 1613 CA GLU A 101 3.072 -2.723 2.679 1.00 0.00 C ATOM 1614 C GLU A 101 3.975 -1.698 2.028 1.00 0.00 C ATOM 1615 O GLU A 101 4.407 -0.758 2.672 1.00 0.00 O ATOM 1616 CB GLU A 101 3.814 -4.042 2.941 1.00 0.00 C ATOM 1617 CG GLU A 101 4.870 -3.981 4.046 1.00 0.00 C ATOM 1618 CD GLU A 101 6.302 -3.801 3.587 1.00 0.00 C ATOM 1619 OE1 GLU A 101 6.871 -4.740 3.012 1.00 0.00 O ATOM 1620 OE2 GLU A 101 6.909 -2.732 3.837 1.00 0.00 O ATOM 0 H GLU A 101 1.888 -3.887 1.416 1.00 0.00 H new ATOM 0 HA GLU A 101 2.746 -2.333 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.083 -4.808 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.295 -4.361 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.618 -3.159 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.809 -4.899 4.630 1.00 0.00 H new ATOM 1627 N ALA A 102 4.190 -1.858 0.723 1.00 0.00 N ATOM 1628 CA ALA A 102 5.014 -0.943 -0.056 1.00 0.00 C ATOM 1629 C ALA A 102 4.452 0.483 -0.007 1.00 0.00 C ATOM 1630 O ALA A 102 5.211 1.439 0.104 1.00 0.00 O ATOM 1631 CB ALA A 102 5.139 -1.426 -1.495 1.00 0.00 C ATOM 0 H ALA A 102 3.797 -2.626 0.179 1.00 0.00 H new ATOM 0 HA ALA A 102 6.010 -0.925 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.758 -0.729 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.600 -2.414 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.149 -1.481 -1.948 1.00 0.00 H new ATOM 1637 N LEU A 103 3.121 0.606 -0.073 1.00 0.00 N ATOM 1638 CA LEU A 103 2.438 1.902 0.030 1.00 0.00 C ATOM 1639 C LEU A 103 2.817 2.579 1.325 1.00 0.00 C ATOM 1640 O LEU A 103 3.272 3.717 1.333 1.00 0.00 O ATOM 1641 CB LEU A 103 0.903 1.732 -0.005 1.00 0.00 C ATOM 1642 CG LEU A 103 0.308 1.040 -1.219 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -1.202 0.994 -1.125 1.00 0.00 C ATOM 1644 CD2 LEU A 103 0.756 1.710 -2.494 1.00 0.00 C ATOM 0 H LEU A 103 2.490 -0.185 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 103 2.747 2.508 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.605 1.173 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.452 2.721 0.075 1.00 0.00 H new ATOM 0 HG LEU A 103 0.673 0.013 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.606 0.494 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.494 0.445 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.594 2.010 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.317 1.196 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.433 2.751 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.843 1.668 -2.565 1.00 0.00 H new ATOM 1656 N VAL A 104 2.656 1.860 2.410 1.00 0.00 N ATOM 1657 CA VAL A 104 2.949 2.385 3.724 1.00 0.00 C ATOM 1658 C VAL A 104 4.448 2.681 3.856 1.00 0.00 C ATOM 1659 O VAL A 104 4.837 3.769 4.243 1.00 0.00 O ATOM 1660 CB VAL A 104 2.502 1.401 4.834 1.00 0.00 C ATOM 1661 CG1 VAL A 104 2.707 1.998 6.195 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.056 1.020 4.663 1.00 0.00 C ATOM 0 H VAL A 104 2.319 0.897 2.408 1.00 0.00 H new ATOM 0 HA VAL A 104 2.389 3.312 3.847 1.00 0.00 H new ATOM 0 HB VAL A 104 3.117 0.505 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.385 1.287 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.763 2.228 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.122 2.913 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.766 0.329 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.435 1.914 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.918 0.541 3.694 1.00 0.00 H new ATOM 1672 N ARG A 105 5.254 1.715 3.442 1.00 0.00 N ATOM 1673 CA ARG A 105 6.724 1.759 3.508 1.00 0.00 C ATOM 1674 C ARG A 105 7.287 2.976 2.766 1.00 0.00 C ATOM 1675 O ARG A 105 8.247 3.602 3.213 1.00 0.00 O ATOM 1676 CB ARG A 105 7.275 0.518 2.819 1.00 0.00 C ATOM 1677 CG ARG A 105 8.754 0.272 2.999 1.00 0.00 C ATOM 1678 CD ARG A 105 9.275 -0.647 1.903 1.00 0.00 C ATOM 1679 NE ARG A 105 8.543 -1.923 1.800 1.00 0.00 N ATOM 1680 CZ ARG A 105 8.611 -2.762 0.745 1.00 0.00 C ATOM 1681 NH1 ARG A 105 9.146 -2.356 -0.408 1.00 0.00 N ATOM 1682 NH2 ARG A 105 8.064 -3.965 0.821 1.00 0.00 N ATOM 0 H ARG A 105 4.901 0.848 3.037 1.00 0.00 H new ATOM 0 HA ARG A 105 7.012 1.813 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.733 -0.352 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.065 0.594 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.293 1.219 2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.939 -0.175 3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.216 -0.127 0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.329 -0.857 2.088 1.00 0.00 H new ATOM 0 HE ARG A 105 7.943 -2.190 2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.507 -1.406 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.194 -2.996 -1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.592 -4.257 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.115 -4.600 0.024 1.00 0.00 H new ATOM 1696 N GLN A 106 6.691 3.290 1.626 1.00 0.00 N ATOM 1697 CA GLN A 106 7.187 4.352 0.771 1.00 0.00 C ATOM 1698 C GLN A 106 6.494 5.688 1.093 1.00 0.00 C ATOM 1699 O GLN A 106 6.666 6.692 0.393 1.00 0.00 O ATOM 1700 CB GLN A 106 6.974 3.974 -0.694 1.00 0.00 C ATOM 1701 CG GLN A 106 7.775 4.813 -1.666 1.00 0.00 C ATOM 1702 CD GLN A 106 9.275 4.601 -1.515 1.00 0.00 C ATOM 1703 OE1 GLN A 106 9.736 3.515 -1.147 1.00 0.00 O ATOM 1704 NE2 GLN A 106 10.039 5.615 -1.786 1.00 0.00 N ATOM 0 H GLN A 106 5.858 2.820 1.272 1.00 0.00 H new ATOM 0 HA GLN A 106 8.254 4.480 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.238 2.925 -0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.915 4.070 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.477 4.568 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.542 5.866 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.627 6.498 -2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.051 5.529 -1.697 1.00 0.00 H new ATOM 1713 N GLY A 107 5.725 5.690 2.146 1.00 0.00 N ATOM 1714 CA GLY A 107 5.081 6.897 2.593 1.00 0.00 C ATOM 1715 C GLY A 107 3.978 7.344 1.688 1.00 0.00 C ATOM 1716 O GLY A 107 3.859 8.520 1.394 1.00 0.00 O ATOM 0 H GLY A 107 5.527 4.866 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.680 6.738 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.824 7.691 2.670 1.00 0.00 H new ATOM 1720 N LEU A 108 3.196 6.409 1.232 1.00 0.00 N ATOM 1721 CA LEU A 108 2.065 6.688 0.372 1.00 0.00 C ATOM 1722 C LEU A 108 0.794 6.131 0.976 1.00 0.00 C ATOM 1723 O LEU A 108 -0.281 6.206 0.389 1.00 0.00 O ATOM 1724 CB LEU A 108 2.344 6.146 -1.026 1.00 0.00 C ATOM 1725 CG LEU A 108 3.465 6.898 -1.736 1.00 0.00 C ATOM 1726 CD1 LEU A 108 4.165 6.043 -2.712 1.00 0.00 C ATOM 1727 CD2 LEU A 108 2.931 8.121 -2.437 1.00 0.00 C ATOM 0 H LEU A 108 3.320 5.419 1.444 1.00 0.00 H new ATOM 0 HA LEU A 108 1.919 7.764 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.607 5.091 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.435 6.209 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 108 4.177 7.201 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.956 6.616 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.600 5.186 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.457 5.695 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.749 8.641 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.187 7.821 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.470 8.786 -1.707 1.00 0.00 H new ATOM 1739 N ALA A 109 0.936 5.575 2.156 1.00 0.00 N ATOM 1740 CA ALA A 109 -0.167 5.100 2.944 1.00 0.00 C ATOM 1741 C ALA A 109 0.257 5.070 4.401 1.00 0.00 C ATOM 1742 O ALA A 109 1.455 5.056 4.697 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.614 3.714 2.499 1.00 0.00 C ATOM 0 H ALA A 109 1.844 5.439 2.601 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.014 5.773 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.450 3.386 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.926 3.750 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.214 3.013 2.606 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.701 5.104 5.277 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.487 5.029 6.715 1.00 0.00 C ATOM 1751 C LYS A 110 -1.229 3.802 7.193 1.00 0.00 C ATOM 1752 O LYS A 110 -2.054 3.273 6.450 1.00 0.00 O ATOM 1753 CB LYS A 110 -1.096 6.245 7.425 1.00 0.00 C ATOM 1754 CG LYS A 110 -0.673 7.600 6.908 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.497 8.682 7.571 1.00 0.00 C ATOM 1756 CE LYS A 110 -1.102 10.073 7.116 1.00 0.00 C ATOM 1757 NZ LYS A 110 -1.961 11.101 7.738 1.00 0.00 N ATOM 0 H LYS A 110 -1.684 5.187 5.018 1.00 0.00 H new ATOM 0 HA LYS A 110 0.581 4.996 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.181 6.175 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.841 6.187 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.386 7.762 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.802 7.643 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.552 8.517 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.382 8.611 8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.060 10.261 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.178 10.139 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.668 12.043 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.952 10.933 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.868 11.051 8.773 1.00 0.00 H new ATOM 1771 N VAL A 111 -0.931 3.304 8.362 1.00 0.00 N ATOM 1772 CA VAL A 111 -1.727 2.226 8.890 1.00 0.00 C ATOM 1773 C VAL A 111 -3.023 2.853 9.428 1.00 0.00 C ATOM 1774 O VAL A 111 -3.003 3.961 10.006 1.00 0.00 O ATOM 1775 CB VAL A 111 -0.982 1.384 9.987 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -0.680 2.192 11.235 1.00 0.00 C ATOM 1777 CG2 VAL A 111 -1.748 0.110 10.332 1.00 0.00 C ATOM 0 H VAL A 111 -0.163 3.616 8.956 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.940 1.507 8.099 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.024 1.096 9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.165 1.562 11.960 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.046 3.040 10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.612 2.556 11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.203 -0.447 11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.736 0.371 10.711 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.853 -0.505 9.438 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.117 2.202 9.227 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.392 2.772 9.571 1.00 0.00 C ATOM 1789 C ALA A 112 -6.012 2.087 10.742 1.00 0.00 C ATOM 1790 O ALA A 112 -5.471 1.100 11.268 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.340 2.744 8.383 1.00 0.00 C ATOM 0 H ALA A 112 -4.163 1.266 8.823 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.210 3.810 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.296 3.181 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.911 3.318 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.493 1.713 8.064 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.132 2.638 11.158 1.00 0.00 N ATOM 1798 CA TYR A 113 -7.894 2.159 12.272 1.00 0.00 C ATOM 1799 C TYR A 113 -8.307 0.735 12.007 1.00 0.00 C ATOM 1800 O TYR A 113 -9.017 0.445 11.035 1.00 0.00 O ATOM 1801 CB TYR A 113 -9.090 3.083 12.514 1.00 0.00 C ATOM 1802 CG TYR A 113 -8.664 4.537 12.615 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -7.989 5.008 13.735 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -8.892 5.423 11.568 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -7.565 6.321 13.815 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -8.466 6.734 11.636 1.00 0.00 C ATOM 1807 CZ TYR A 113 -7.806 7.179 12.761 1.00 0.00 C ATOM 1808 OH TYR A 113 -7.377 8.491 12.831 1.00 0.00 O ATOM 0 H TYR A 113 -7.543 3.457 10.710 1.00 0.00 H new ATOM 0 HA TYR A 113 -7.295 2.167 13.183 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.808 2.970 11.702 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -9.598 2.788 13.432 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -7.792 4.336 14.557 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.412 5.079 10.686 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.049 6.673 14.696 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.649 7.408 10.812 1.00 0.00 H new ATOM 0 HH TYR A 113 -7.625 8.961 12.007 1.00 0.00 H new ATOM 1818 N VAL A 114 -7.830 -0.122 12.866 1.00 0.00 N ATOM 1819 CA VAL A 114 -7.909 -1.556 12.725 1.00 0.00 C ATOM 1820 C VAL A 114 -9.338 -2.056 12.572 1.00 0.00 C ATOM 1821 O VAL A 114 -10.230 -1.737 13.386 1.00 0.00 O ATOM 1822 CB VAL A 114 -7.182 -2.235 13.910 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -7.239 -3.751 13.809 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.735 -1.749 13.959 1.00 0.00 C ATOM 0 H VAL A 114 -7.355 0.168 13.721 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.406 -1.831 11.798 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.690 -1.958 14.834 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -6.718 -4.192 14.659 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.279 -4.077 13.812 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.761 -4.072 12.884 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.219 -2.225 14.793 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.233 -2.007 13.027 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.719 -0.667 14.093 1.00 0.00 H new ATOM 1834 N TYR A 115 -9.548 -2.819 11.522 1.00 0.00 N ATOM 1835 CA TYR A 115 -10.837 -3.334 11.176 1.00 0.00 C ATOM 1836 C TYR A 115 -10.841 -4.855 11.349 1.00 0.00 C ATOM 1837 O TYR A 115 -10.564 -5.601 10.417 1.00 0.00 O ATOM 1838 CB TYR A 115 -11.160 -2.936 9.726 1.00 0.00 C ATOM 1839 CG TYR A 115 -12.582 -3.180 9.279 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -13.550 -2.206 9.458 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -12.952 -4.367 8.659 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -14.841 -2.402 9.038 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -14.246 -4.570 8.239 1.00 0.00 C ATOM 1844 CZ TYR A 115 -15.184 -3.582 8.430 1.00 0.00 C ATOM 1845 OH TYR A 115 -16.478 -3.777 8.008 1.00 0.00 O ATOM 0 H TYR A 115 -8.808 -3.099 10.878 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.603 -2.917 11.830 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.937 -1.876 9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -10.491 -3.483 9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -13.284 -1.275 9.937 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -12.214 -5.140 8.505 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -15.583 -1.631 9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -14.524 -5.499 7.763 1.00 0.00 H new ATOM 0 HH TYR A 115 -16.558 -4.663 7.596 1.00 0.00 H new ATOM 1855 N LYS A 116 -11.095 -5.297 12.559 1.00 0.00 N ATOM 1856 CA LYS A 116 -11.117 -6.712 12.876 1.00 0.00 C ATOM 1857 C LYS A 116 -12.283 -7.413 12.173 1.00 0.00 C ATOM 1858 O LYS A 116 -13.294 -6.776 11.870 1.00 0.00 O ATOM 1859 CB LYS A 116 -11.192 -6.915 14.384 1.00 0.00 C ATOM 1860 CG LYS A 116 -9.917 -6.513 15.097 1.00 0.00 C ATOM 1861 CD LYS A 116 -10.055 -6.593 16.612 1.00 0.00 C ATOM 1862 CE LYS A 116 -10.321 -8.018 17.106 1.00 0.00 C ATOM 1863 NZ LYS A 116 -9.202 -8.951 16.820 1.00 0.00 N ATOM 0 H LYS A 116 -11.293 -4.688 13.353 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.192 -7.159 12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -12.024 -6.334 14.783 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.405 -7.963 14.594 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -9.102 -7.161 14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.648 -5.496 14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.144 -6.216 17.076 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.869 -5.943 16.934 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.502 -7.996 18.181 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.230 -8.395 16.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.395 -9.871 17.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.109 -9.077 15.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.318 -8.560 17.202 1.00 0.00 H new ATOM 1877 N PRO A 117 -12.180 -8.732 11.907 1.00 0.00 N ATOM 1878 CA PRO A 117 -11.020 -9.571 12.262 1.00 0.00 C ATOM 1879 C PRO A 117 -9.852 -9.484 11.272 1.00 0.00 C ATOM 1880 O PRO A 117 -8.911 -10.265 11.363 1.00 0.00 O ATOM 1881 CB PRO A 117 -11.596 -11.002 12.279 1.00 0.00 C ATOM 1882 CG PRO A 117 -13.039 -10.876 11.870 1.00 0.00 C ATOM 1883 CD PRO A 117 -13.197 -9.523 11.236 1.00 0.00 C ATOM 0 HA PRO A 117 -10.589 -9.244 13.209 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -11.051 -11.650 11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -11.509 -11.445 13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.312 -11.665 11.169 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -13.695 -10.976 12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -13.035 -9.560 10.159 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.196 -9.116 11.395 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.903 -8.542 10.351 1.00 0.00 N ATOM 1892 CA ASN A 118 -8.846 -8.407 9.362 1.00 0.00 C ATOM 1893 C ASN A 118 -7.734 -7.573 9.926 1.00 0.00 C ATOM 1894 O ASN A 118 -7.778 -6.348 9.865 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.335 -7.773 8.034 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.405 -8.571 7.307 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -11.264 -9.200 7.917 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.348 -8.568 5.994 1.00 0.00 N ATOM 0 H ASN A 118 -10.658 -7.862 10.265 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.498 -9.414 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.724 -6.777 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.480 -7.648 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.030 -9.099 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -9.621 -8.035 5.516 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.778 -8.214 10.545 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.669 -7.487 11.136 1.00 0.00 C ATOM 1907 C ASN A 119 -4.461 -8.371 11.359 1.00 0.00 C ATOM 1908 O ASN A 119 -3.618 -8.078 12.210 1.00 0.00 O ATOM 1909 CB ASN A 119 -6.078 -6.809 12.466 1.00 0.00 C ATOM 1910 CG ASN A 119 -6.430 -7.765 13.605 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -6.957 -8.851 13.406 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -6.117 -7.360 14.808 1.00 0.00 N ATOM 0 H ASN A 119 -6.738 -9.227 10.656 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.394 -6.713 10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.261 -6.166 12.793 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.936 -6.164 12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -6.311 -7.955 15.613 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.678 -6.449 14.941 1.00 0.00 H new ATOM 1919 N THR A 120 -4.307 -9.393 10.568 1.00 0.00 N ATOM 1920 CA THR A 120 -3.214 -10.300 10.781 1.00 0.00 C ATOM 1921 C THR A 120 -1.839 -9.670 10.391 1.00 0.00 C ATOM 1922 O THR A 120 -0.811 -9.991 10.987 1.00 0.00 O ATOM 1923 CB THR A 120 -3.494 -11.659 10.112 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.768 -12.135 10.611 1.00 0.00 O ATOM 1925 CG2 THR A 120 -2.425 -12.686 10.463 1.00 0.00 C ATOM 0 H THR A 120 -4.914 -9.619 9.780 1.00 0.00 H new ATOM 0 HA THR A 120 -3.134 -10.496 11.850 1.00 0.00 H new ATOM 0 HB THR A 120 -3.498 -11.530 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.494 -11.623 10.197 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.655 -13.632 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.452 -12.329 10.124 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.402 -12.832 11.543 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.832 -8.711 9.458 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.571 -8.021 9.116 1.00 0.00 C ATOM 1935 C HIS A 121 -0.542 -6.590 9.707 1.00 0.00 C ATOM 1936 O HIS A 121 0.257 -5.761 9.284 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.301 -7.969 7.589 1.00 0.00 C ATOM 1938 CG HIS A 121 -0.086 -9.303 6.895 1.00 0.00 C ATOM 1939 ND1 HIS A 121 1.142 -9.750 6.445 1.00 0.00 N ATOM 1940 CD2 HIS A 121 -0.972 -10.241 6.506 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.979 -10.900 5.813 1.00 0.00 C ATOM 1942 NE2 HIS A 121 -0.287 -11.212 5.836 1.00 0.00 N ATOM 0 H HIS A 121 -2.652 -8.399 8.938 1.00 0.00 H new ATOM 0 HA HIS A 121 0.227 -8.613 9.564 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.142 -7.467 7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.580 -7.350 7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.036 -10.227 6.692 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.763 -11.484 5.354 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.699 -12.047 5.420 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.408 -6.343 10.701 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.511 -5.058 11.449 1.00 0.00 C ATOM 1953 C GLU A 122 -0.119 -4.499 11.873 1.00 0.00 C ATOM 1954 O GLU A 122 0.253 -3.376 11.515 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.331 -5.330 12.719 1.00 0.00 C ATOM 1956 CG GLU A 122 -2.660 -4.132 13.593 1.00 0.00 C ATOM 1957 CD GLU A 122 -3.290 -4.558 14.914 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -4.283 -5.317 14.908 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -2.764 -4.192 15.993 1.00 0.00 O ATOM 0 H GLU A 122 -2.078 -7.042 11.023 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.977 -4.317 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.268 -5.802 12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.787 -6.054 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.751 -3.563 13.789 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.342 -3.469 13.061 1.00 0.00 H new ATOM 1966 N GLN A 123 0.642 -5.305 12.601 1.00 0.00 N ATOM 1967 CA GLN A 123 1.937 -4.886 13.161 1.00 0.00 C ATOM 1968 C GLN A 123 2.987 -4.773 12.075 1.00 0.00 C ATOM 1969 O GLN A 123 3.945 -3.996 12.179 1.00 0.00 O ATOM 1970 CB GLN A 123 2.398 -5.897 14.202 1.00 0.00 C ATOM 1971 CG GLN A 123 1.406 -6.136 15.327 1.00 0.00 C ATOM 1972 CD GLN A 123 1.187 -4.938 16.231 1.00 0.00 C ATOM 1973 OE1 GLN A 123 1.265 -3.789 15.817 1.00 0.00 O ATOM 1974 NE2 GLN A 123 0.934 -5.192 17.472 1.00 0.00 N ATOM 0 H GLN A 123 0.387 -6.267 12.824 1.00 0.00 H new ATOM 0 HA GLN A 123 1.807 -3.908 13.624 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.600 -6.846 13.705 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.340 -5.555 14.631 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.449 -6.431 14.896 1.00 0.00 H new ATOM 0 HG3 GLN A 123 1.755 -6.974 15.931 1.00 0.00 H new ATOM 0 HE21 GLN A 123 0.874 -6.158 17.793 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.794 -4.426 18.131 1.00 0.00 H new ATOM 1983 N LEU A 124 2.786 -5.542 11.044 1.00 0.00 N ATOM 1984 CA LEU A 124 3.662 -5.583 9.898 1.00 0.00 C ATOM 1985 C LEU A 124 3.598 -4.236 9.182 1.00 0.00 C ATOM 1986 O LEU A 124 4.615 -3.613 8.909 1.00 0.00 O ATOM 1987 CB LEU A 124 3.214 -6.778 9.009 1.00 0.00 C ATOM 1988 CG LEU A 124 3.949 -7.091 7.689 1.00 0.00 C ATOM 1989 CD1 LEU A 124 3.608 -6.118 6.577 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.450 -7.175 7.897 1.00 0.00 C ATOM 0 H LEU A 124 1.990 -6.175 10.971 1.00 0.00 H new ATOM 0 HA LEU A 124 4.705 -5.741 10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.265 -7.675 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.164 -6.620 8.763 1.00 0.00 H new ATOM 0 HG LEU A 124 3.592 -8.069 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.156 -6.390 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.537 -6.155 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 124 3.886 -5.108 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.937 -7.397 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.818 -6.223 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.674 -7.965 8.613 1.00 0.00 H new ATOM 2002 N LEU A 125 2.397 -3.785 8.937 1.00 0.00 N ATOM 2003 CA LEU A 125 2.171 -2.497 8.298 1.00 0.00 C ATOM 2004 C LEU A 125 2.602 -1.332 9.191 1.00 0.00 C ATOM 2005 O LEU A 125 3.042 -0.299 8.697 1.00 0.00 O ATOM 2006 CB LEU A 125 0.721 -2.374 7.856 1.00 0.00 C ATOM 2007 CG LEU A 125 0.306 -3.369 6.770 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -1.180 -3.326 6.534 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.039 -3.083 5.476 1.00 0.00 C ATOM 0 H LEU A 125 1.543 -4.292 9.171 1.00 0.00 H new ATOM 0 HA LEU A 125 2.799 -2.445 7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.076 -2.512 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.550 -1.362 7.489 1.00 0.00 H new ATOM 0 HG LEU A 125 0.573 -4.367 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.446 -4.043 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.702 -3.580 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.469 -2.324 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.730 -3.801 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.802 -2.074 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.113 -3.168 5.640 1.00 0.00 H new ATOM 2021 N ARG A 126 2.511 -1.505 10.511 1.00 0.00 N ATOM 2022 CA ARG A 126 3.001 -0.468 11.438 1.00 0.00 C ATOM 2023 C ARG A 126 4.508 -0.271 11.327 1.00 0.00 C ATOM 2024 O ARG A 126 5.022 0.846 11.506 1.00 0.00 O ATOM 2025 CB ARG A 126 2.648 -0.769 12.874 1.00 0.00 C ATOM 2026 CG ARG A 126 1.253 -0.398 13.269 1.00 0.00 C ATOM 2027 CD ARG A 126 1.016 -0.773 14.701 1.00 0.00 C ATOM 2028 NE ARG A 126 -0.259 -0.265 15.201 1.00 0.00 N ATOM 2029 CZ ARG A 126 -1.189 -0.991 15.805 1.00 0.00 C ATOM 2030 NH1 ARG A 126 -0.988 -2.278 16.007 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -2.314 -0.417 16.221 1.00 0.00 N ATOM 0 H ARG A 126 2.114 -2.330 10.960 1.00 0.00 H new ATOM 0 HA ARG A 126 2.498 0.452 11.140 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.790 -1.835 13.052 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.347 -0.242 13.523 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.099 0.672 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.535 -0.907 12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.036 -1.858 14.799 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.827 -0.383 15.316 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.449 0.729 15.075 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.118 -2.713 15.699 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.702 -2.839 16.472 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.461 0.582 16.075 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.030 -0.975 16.686 1.00 0.00 H new ATOM 2045 N LYS A 127 5.193 -1.349 11.035 1.00 0.00 N ATOM 2046 CA LYS A 127 6.640 -1.364 10.853 1.00 0.00 C ATOM 2047 C LYS A 127 6.996 -0.543 9.629 1.00 0.00 C ATOM 2048 O LYS A 127 7.854 0.342 9.671 1.00 0.00 O ATOM 2049 CB LYS A 127 7.038 -2.808 10.621 1.00 0.00 C ATOM 2050 CG LYS A 127 8.468 -3.069 10.231 1.00 0.00 C ATOM 2051 CD LYS A 127 8.551 -4.456 9.647 1.00 0.00 C ATOM 2052 CE LYS A 127 9.975 -4.890 9.376 1.00 0.00 C ATOM 2053 NZ LYS A 127 10.019 -6.252 8.794 1.00 0.00 N ATOM 0 H LYS A 127 4.760 -2.264 10.913 1.00 0.00 H new ATOM 0 HA LYS A 127 7.153 -0.948 11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.828 -3.368 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.395 -3.216 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.805 -2.330 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 127 9.121 -2.983 11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.084 -5.163 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 127 7.982 -4.489 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.449 -4.185 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.547 -4.870 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 11.008 -6.523 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.587 -6.927 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.493 -6.263 7.897 1.00 0.00 H new ATOM 2067 N SER A 128 6.299 -0.829 8.566 1.00 0.00 N ATOM 2068 CA SER A 128 6.430 -0.127 7.316 1.00 0.00 C ATOM 2069 C SER A 128 6.091 1.365 7.477 1.00 0.00 C ATOM 2070 O SER A 128 6.679 2.221 6.811 1.00 0.00 O ATOM 2071 CB SER A 128 5.525 -0.812 6.320 1.00 0.00 C ATOM 2072 OG SER A 128 5.856 -2.179 6.286 1.00 0.00 O ATOM 0 H SER A 128 5.605 -1.576 8.542 1.00 0.00 H new ATOM 0 HA SER A 128 7.460 -0.159 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.481 -0.682 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.644 -0.368 5.332 1.00 0.00 H new ATOM 0 HG SER A 128 6.379 -2.369 5.479 1.00 0.00 H new ATOM 2078 N GLU A 129 5.167 1.671 8.382 1.00 0.00 N ATOM 2079 CA GLU A 129 4.811 3.042 8.654 1.00 0.00 C ATOM 2080 C GLU A 129 5.968 3.749 9.322 1.00 0.00 C ATOM 2081 O GLU A 129 6.359 4.840 8.916 1.00 0.00 O ATOM 2082 CB GLU A 129 3.560 3.139 9.529 1.00 0.00 C ATOM 2083 CG GLU A 129 3.113 4.565 9.694 1.00 0.00 C ATOM 2084 CD GLU A 129 1.858 4.747 10.502 1.00 0.00 C ATOM 2085 OE1 GLU A 129 0.776 4.680 9.938 1.00 0.00 O ATOM 2086 OE2 GLU A 129 1.955 5.017 11.718 1.00 0.00 O ATOM 0 H GLU A 129 4.656 0.982 8.935 1.00 0.00 H new ATOM 0 HA GLU A 129 4.587 3.525 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.756 2.554 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.765 2.705 10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.917 5.130 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.957 4.998 8.706 1.00 0.00 H new ATOM 2093 N ALA A 130 6.530 3.098 10.327 1.00 0.00 N ATOM 2094 CA ALA A 130 7.672 3.628 11.073 1.00 0.00 C ATOM 2095 C ALA A 130 8.858 3.866 10.139 1.00 0.00 C ATOM 2096 O ALA A 130 9.619 4.836 10.300 1.00 0.00 O ATOM 2097 CB ALA A 130 8.059 2.674 12.193 1.00 0.00 C ATOM 0 H ALA A 130 6.211 2.186 10.653 1.00 0.00 H new ATOM 0 HA ALA A 130 7.386 4.583 11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 130 8.910 3.081 12.740 1.00 0.00 H new ATOM 0 HB2 ALA A 130 7.216 2.550 12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.329 1.706 11.770 1.00 0.00 H new ATOM 2103 N GLN A 131 8.978 2.990 9.152 1.00 0.00 N ATOM 2104 CA GLN A 131 10.007 3.059 8.137 1.00 0.00 C ATOM 2105 C GLN A 131 9.850 4.394 7.379 1.00 0.00 C ATOM 2106 O GLN A 131 10.792 5.199 7.285 1.00 0.00 O ATOM 2107 CB GLN A 131 9.789 1.874 7.155 1.00 0.00 C ATOM 2108 CG GLN A 131 10.992 1.414 6.323 1.00 0.00 C ATOM 2109 CD GLN A 131 11.739 2.527 5.637 1.00 0.00 C ATOM 2110 OE1 GLN A 131 12.689 3.066 6.194 1.00 0.00 O ATOM 2111 NE2 GLN A 131 11.306 2.912 4.469 1.00 0.00 N ATOM 0 H GLN A 131 8.347 2.197 9.036 1.00 0.00 H new ATOM 0 HA GLN A 131 11.002 3.002 8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.433 1.020 7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 131 8.990 2.150 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 131 11.683 0.876 6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.647 0.706 5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.512 2.438 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.761 3.687 3.987 1.00 0.00 H new ATOM 2120 N ALA A 132 8.633 4.643 6.943 1.00 0.00 N ATOM 2121 CA ALA A 132 8.297 5.791 6.132 1.00 0.00 C ATOM 2122 C ALA A 132 8.433 7.096 6.898 1.00 0.00 C ATOM 2123 O ALA A 132 8.871 8.119 6.338 1.00 0.00 O ATOM 2124 CB ALA A 132 6.900 5.635 5.608 1.00 0.00 C ATOM 0 H ALA A 132 7.835 4.041 7.147 1.00 0.00 H new ATOM 0 HA ALA A 132 9.003 5.837 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.643 6.499 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 132 6.837 4.730 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.204 5.562 6.444 1.00 0.00 H new ATOM 2130 N LYS A 133 8.060 7.059 8.170 1.00 0.00 N ATOM 2131 CA LYS A 133 8.128 8.209 9.036 1.00 0.00 C ATOM 2132 C LYS A 133 9.559 8.724 9.139 1.00 0.00 C ATOM 2133 O LYS A 133 9.829 9.906 8.892 1.00 0.00 O ATOM 2134 CB LYS A 133 7.693 7.838 10.446 1.00 0.00 C ATOM 2135 CG LYS A 133 6.271 7.355 10.651 1.00 0.00 C ATOM 2136 CD LYS A 133 6.065 7.055 12.141 1.00 0.00 C ATOM 2137 CE LYS A 133 4.751 6.353 12.434 1.00 0.00 C ATOM 2138 NZ LYS A 133 3.569 7.155 12.082 1.00 0.00 N ATOM 0 H LYS A 133 7.700 6.220 8.625 1.00 0.00 H new ATOM 0 HA LYS A 133 7.473 8.970 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 133 8.365 7.060 10.808 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.844 8.710 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 133 5.562 8.113 10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 133 6.086 6.461 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 133 6.888 6.435 12.497 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.103 7.989 12.702 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.720 5.412 11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.709 6.104 13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 2.720 6.555 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.465 7.936 12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 3.685 7.542 11.124 1.00 0.00 H new ATOM 2152 N LYS A 134 10.489 7.814 9.432 1.00 0.00 N ATOM 2153 CA LYS A 134 11.854 8.207 9.724 1.00 0.00 C ATOM 2154 C LYS A 134 12.590 8.741 8.503 1.00 0.00 C ATOM 2155 O LYS A 134 13.457 9.607 8.635 1.00 0.00 O ATOM 2156 CB LYS A 134 12.660 7.087 10.416 1.00 0.00 C ATOM 2157 CG LYS A 134 13.011 5.887 9.551 1.00 0.00 C ATOM 2158 CD LYS A 134 13.826 4.881 10.349 1.00 0.00 C ATOM 2159 CE LYS A 134 14.348 3.741 9.488 1.00 0.00 C ATOM 2160 NZ LYS A 134 13.272 2.997 8.827 1.00 0.00 N ATOM 0 H LYS A 134 10.317 6.809 9.471 1.00 0.00 H new ATOM 0 HA LYS A 134 11.772 9.031 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.585 7.516 10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 134 12.091 6.736 11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.099 5.416 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.577 6.213 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 134 14.667 5.391 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.210 4.474 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.025 4.141 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.929 3.059 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.551 2.000 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.406 3.057 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.094 3.405 7.887 1.00 0.00 H new ATOM 2174 N GLU A 135 12.234 8.272 7.315 1.00 0.00 N ATOM 2175 CA GLU A 135 12.925 8.734 6.122 1.00 0.00 C ATOM 2176 C GLU A 135 12.252 9.973 5.546 1.00 0.00 C ATOM 2177 O GLU A 135 12.709 10.516 4.542 1.00 0.00 O ATOM 2178 CB GLU A 135 13.027 7.658 5.043 1.00 0.00 C ATOM 2179 CG GLU A 135 13.745 6.388 5.441 1.00 0.00 C ATOM 2180 CD GLU A 135 14.086 5.545 4.226 1.00 0.00 C ATOM 2181 OE1 GLU A 135 13.251 4.740 3.763 1.00 0.00 O ATOM 2182 OE2 GLU A 135 15.204 5.706 3.675 1.00 0.00 O ATOM 0 H GLU A 135 11.492 7.591 7.154 1.00 0.00 H new ATOM 0 HA GLU A 135 13.938 8.983 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.019 7.397 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.536 8.085 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.658 6.638 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.119 5.812 6.122 1.00 0.00 H new ATOM 2189 N LYS A 136 11.158 10.406 6.187 1.00 0.00 N ATOM 2190 CA LYS A 136 10.406 11.590 5.766 1.00 0.00 C ATOM 2191 C LYS A 136 9.899 11.458 4.344 1.00 0.00 C ATOM 2192 O LYS A 136 10.183 12.305 3.485 1.00 0.00 O ATOM 2193 CB LYS A 136 11.180 12.912 5.969 1.00 0.00 C ATOM 2194 CG LYS A 136 11.477 13.241 7.422 1.00 0.00 C ATOM 2195 CD LYS A 136 12.147 14.599 7.562 1.00 0.00 C ATOM 2196 CE LYS A 136 12.472 14.923 9.018 1.00 0.00 C ATOM 2197 NZ LYS A 136 11.269 14.968 9.877 1.00 0.00 N ATOM 0 H LYS A 136 10.772 9.944 7.011 1.00 0.00 H new ATOM 0 HA LYS A 136 9.541 11.641 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 136 12.120 12.858 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 136 10.604 13.728 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.550 13.231 7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 136 12.122 12.471 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 136 13.064 14.615 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.493 15.371 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 136 13.163 14.175 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.984 15.884 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.522 15.355 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.549 15.574 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.889 14.007 9.993 1.00 0.00 H new ATOM 2211 N LEU A 137 9.219 10.353 4.074 1.00 0.00 N ATOM 2212 CA LEU A 137 8.645 10.120 2.753 1.00 0.00 C ATOM 2213 C LEU A 137 7.552 11.112 2.507 1.00 0.00 C ATOM 2214 O LEU A 137 7.062 11.680 3.433 1.00 0.00 O ATOM 2215 CB LEU A 137 8.104 8.699 2.593 1.00 0.00 C ATOM 2216 CG LEU A 137 9.108 7.580 2.286 1.00 0.00 C ATOM 2217 CD1 LEU A 137 9.800 7.837 0.963 1.00 0.00 C ATOM 2218 CD2 LEU A 137 10.116 7.430 3.383 1.00 0.00 C ATOM 0 H LEU A 137 9.051 9.606 4.747 1.00 0.00 H new ATOM 0 HA LEU A 137 9.442 10.243 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 137 7.579 8.435 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 137 7.362 8.711 1.795 1.00 0.00 H new ATOM 0 HG LEU A 137 8.551 6.645 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.509 7.034 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.058 7.875 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 137 10.332 8.787 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 137 10.811 6.629 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 137 10.666 8.363 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 137 9.606 7.189 4.315 1.00 0.00 H new ATOM 2230 N ASN A 138 7.156 11.261 1.267 1.00 0.00 N ATOM 2231 CA ASN A 138 6.193 12.290 0.808 1.00 0.00 C ATOM 2232 C ASN A 138 5.042 12.623 1.775 1.00 0.00 C ATOM 2233 O ASN A 138 4.933 13.780 2.194 1.00 0.00 O ATOM 2234 CB ASN A 138 5.672 11.983 -0.589 1.00 0.00 C ATOM 2235 CG ASN A 138 4.873 10.707 -0.684 1.00 0.00 C ATOM 2236 OD1 ASN A 138 3.648 10.730 -0.599 1.00 0.00 O ATOM 2237 ND2 ASN A 138 5.544 9.590 -0.821 1.00 0.00 N ATOM 0 H ASN A 138 7.491 10.664 0.511 1.00 0.00 H new ATOM 0 HA ASN A 138 6.785 13.205 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.050 12.814 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 138 6.517 11.921 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 138 5.049 8.699 -0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.562 9.611 -0.888 1.00 0.00 H new ATOM 2244 N ILE A 139 4.203 11.657 2.181 1.00 0.00 N ATOM 2245 CA ILE A 139 3.108 12.039 3.102 1.00 0.00 C ATOM 2246 C ILE A 139 3.595 12.305 4.540 1.00 0.00 C ATOM 2247 O ILE A 139 2.876 12.881 5.346 1.00 0.00 O ATOM 2248 CB ILE A 139 1.900 11.064 3.142 1.00 0.00 C ATOM 2249 CG1 ILE A 139 2.293 9.705 3.735 1.00 0.00 C ATOM 2250 CG2 ILE A 139 1.293 10.912 1.757 1.00 0.00 C ATOM 2251 CD1 ILE A 139 1.138 8.736 3.878 1.00 0.00 C ATOM 0 H ILE A 139 4.247 10.674 1.914 1.00 0.00 H new ATOM 0 HA ILE A 139 2.746 12.969 2.663 1.00 0.00 H new ATOM 0 HB ILE A 139 1.142 11.491 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.057 9.252 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 139 2.743 9.865 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 139 0.448 10.225 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 139 0.952 11.884 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.044 10.518 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 139 1.499 7.800 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.382 9.166 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.701 8.544 2.898 1.00 0.00 H new ATOM 2263 N TRP A 140 4.811 11.916 4.834 1.00 0.00 N ATOM 2264 CA TRP A 140 5.387 12.087 6.158 1.00 0.00 C ATOM 2265 C TRP A 140 6.380 13.236 6.146 1.00 0.00 C ATOM 2266 O TRP A 140 7.007 13.552 7.161 1.00 0.00 O ATOM 2267 CB TRP A 140 6.102 10.800 6.617 1.00 0.00 C ATOM 2268 CG TRP A 140 5.203 9.609 6.661 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.145 8.597 5.759 1.00 0.00 C ATOM 2270 CD2 TRP A 140 4.213 9.322 7.650 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.195 7.680 6.138 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.609 8.108 7.290 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.779 9.972 8.807 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.610 7.529 8.040 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.776 9.390 9.553 1.00 0.00 C ATOM 2276 CH2 TRP A 140 2.203 8.180 9.163 1.00 0.00 C ATOM 0 H TRP A 140 5.437 11.469 4.164 1.00 0.00 H new ATOM 0 HA TRP A 140 4.578 12.306 6.855 1.00 0.00 H new ATOM 0 HB2 TRP A 140 6.933 10.594 5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 140 6.527 10.962 7.607 1.00 0.00 H new ATOM 0 HD1 TRP A 140 5.757 8.523 4.872 1.00 0.00 H new ATOM 0 HE1 TRP A 140 3.966 6.820 5.639 1.00 0.00 H new ATOM 0 HE3 TRP A 140 4.219 10.910 9.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 2.165 6.590 7.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.429 9.878 10.452 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.418 7.750 9.767 1.00 0.00 H new ATOM 2287 N SER A 141 6.510 13.864 5.006 1.00 0.00 N ATOM 2288 CA SER A 141 7.481 14.879 4.815 1.00 0.00 C ATOM 2289 C SER A 141 6.901 16.241 5.085 1.00 0.00 C ATOM 2290 O SER A 141 6.003 16.723 4.374 1.00 0.00 O ATOM 2291 CB SER A 141 8.067 14.809 3.401 1.00 0.00 C ATOM 2292 OG SER A 141 9.135 15.730 3.241 1.00 0.00 O ATOM 0 H SER A 141 5.935 13.675 4.185 1.00 0.00 H new ATOM 0 HA SER A 141 8.288 14.711 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 141 8.422 13.798 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 141 7.287 15.023 2.670 1.00 0.00 H new ATOM 0 HG SER A 141 9.491 15.663 2.331 1.00 0.00 H new