USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 26 THR OG1 : rot -86:sc= 1.29 USER MOD Set 1.2: A 76 THR OG1 : rot -34:sc= 0.67 USER MOD Single : A 9 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.7!) USER MOD Single : A 11 SER OG : rot 49:sc= -0.794 USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= -0.0216 (180deg=-0.036) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=-0.0016) USER MOD Single : A 22 GLN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= 0.0827 (180deg=-0.0287) USER MOD Single : A 43 ASN : amide:sc= -2.39 K(o=-2.4,f=-5.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.135 (180deg=-0.775!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 148:sc= 2.02 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -1.48 (180deg=-1.86!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.13) USER MOD Single : A 75 GLN : amide:sc=-0.00966 X(o=-0.0097,f=0) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-0.1) USER MOD Single : A 91 MET CE :methyl -171:sc= -7.79! (180deg=-7.93!) USER MOD Single : A 95 THR OG1 : rot -170:sc= 0.0438 USER MOD Single : A 99 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.29) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -4.78! C(o=-4.8!,f=-5.2!) USER MOD Single : A 129 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.287 -12.113 -1.569 1.00 0.00 N ATOM 67 CA GLY A 8 0.254 -12.771 -0.787 1.00 0.00 C ATOM 68 C GLY A 8 -1.046 -11.964 -0.805 1.00 0.00 C ATOM 69 O GLY A 8 -1.657 -11.788 -1.857 1.00 0.00 O ATOM 0 HA2 GLY A 8 0.072 -13.769 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.595 -12.895 0.241 1.00 0.00 H new ATOM 73 N GLN A 9 -1.429 -11.494 0.373 1.00 0.00 N ATOM 74 CA GLN A 9 -2.645 -10.710 0.507 1.00 0.00 C ATOM 75 C GLN A 9 -2.409 -9.521 1.441 1.00 0.00 C ATOM 76 O GLN A 9 -1.851 -9.680 2.525 1.00 0.00 O ATOM 77 CB GLN A 9 -3.804 -11.575 1.003 1.00 0.00 C ATOM 78 CG GLN A 9 -4.124 -12.689 0.003 1.00 0.00 C ATOM 79 CD GLN A 9 -5.595 -13.100 0.092 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.454 -12.578 -0.600 1.00 0.00 O ATOM 81 NE2 GLN A 9 -5.836 -14.061 0.978 1.00 0.00 N ATOM 0 H GLN A 9 -0.918 -11.641 1.244 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.917 -10.327 -0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.550 -12.011 1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.687 -10.954 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.898 -12.351 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.489 -13.553 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.070 -14.454 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.787 -14.405 1.111 1.00 0.00 H new ATOM 90 N LEU A 10 -2.848 -8.356 0.986 1.00 0.00 N ATOM 91 CA LEU A 10 -2.692 -7.141 1.767 1.00 0.00 C ATOM 92 C LEU A 10 -4.073 -6.580 2.111 1.00 0.00 C ATOM 93 O LEU A 10 -4.969 -6.566 1.269 1.00 0.00 O ATOM 94 CB LEU A 10 -1.789 -6.146 1.036 1.00 0.00 C ATOM 95 CG LEU A 10 -0.850 -5.319 1.917 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.332 -4.091 1.165 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.526 -4.941 3.236 1.00 0.00 C ATOM 0 H LEU A 10 -3.312 -8.228 0.086 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.191 -7.357 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.186 -6.696 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.420 -5.461 0.469 1.00 0.00 H new ATOM 0 HG LEU A 10 0.016 -5.934 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.333 -3.521 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.214 -4.411 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.173 -3.465 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.837 -4.354 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.420 -4.353 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.803 -5.847 3.775 1.00 0.00 H new ATOM 109 N SER A 11 -4.203 -6.132 3.352 1.00 0.00 N ATOM 110 CA SER A 11 -5.460 -5.572 3.817 1.00 0.00 C ATOM 111 C SER A 11 -5.362 -4.046 3.878 1.00 0.00 C ATOM 112 O SER A 11 -4.587 -3.501 4.662 1.00 0.00 O ATOM 113 CB SER A 11 -5.839 -6.134 5.189 1.00 0.00 C ATOM 114 OG SER A 11 -5.814 -7.559 5.207 1.00 0.00 O ATOM 0 H SER A 11 -3.458 -6.146 4.049 1.00 0.00 H new ATOM 0 HA SER A 11 -6.241 -5.852 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.150 -5.750 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.835 -5.785 5.461 1.00 0.00 H new ATOM 0 HG SER A 11 -4.972 -7.876 4.820 1.00 0.00 H new ATOM 120 N ILE A 12 -6.160 -3.400 3.040 1.00 0.00 N ATOM 121 CA ILE A 12 -6.173 -1.948 2.989 1.00 0.00 C ATOM 122 C ILE A 12 -7.605 -1.448 3.191 1.00 0.00 C ATOM 123 O ILE A 12 -8.526 -1.901 2.513 1.00 0.00 O ATOM 124 CB ILE A 12 -5.526 -1.452 1.694 1.00 0.00 C ATOM 125 CG1 ILE A 12 -4.026 -1.751 1.682 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.817 0.033 1.470 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.581 -2.267 0.312 1.00 0.00 C ATOM 0 H ILE A 12 -6.802 -3.856 2.391 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.572 -1.533 3.798 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.969 -1.996 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.469 -0.848 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.793 -2.492 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.346 0.360 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.894 0.187 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.419 0.612 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.511 -2.472 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.122 -3.183 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.793 -1.514 -0.447 1.00 0.00 H new ATOM 139 N LYS A 13 -7.747 -0.521 4.127 1.00 0.00 N ATOM 140 CA LYS A 13 -9.051 0.045 4.428 1.00 0.00 C ATOM 141 C LYS A 13 -9.109 1.483 3.909 1.00 0.00 C ATOM 142 O LYS A 13 -8.279 2.313 4.277 1.00 0.00 O ATOM 143 CB LYS A 13 -9.360 -0.084 5.921 1.00 0.00 C ATOM 144 CG LYS A 13 -10.788 -0.586 6.144 1.00 0.00 C ATOM 145 CD LYS A 13 -11.160 -0.539 7.627 1.00 0.00 C ATOM 146 CE LYS A 13 -9.975 -0.949 8.503 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.357 -0.934 9.933 1.00 0.00 N ATOM 0 H LYS A 13 -6.980 -0.148 4.687 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.836 -0.511 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.652 -0.772 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.230 0.883 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.486 0.025 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.880 -1.607 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.482 0.468 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.003 -1.204 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.635 -1.946 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.140 -0.269 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.511 -1.081 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.786 -0.016 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.043 -1.694 10.117 1.00 0.00 H new ATOM 161 N LEU A 14 -10.098 1.734 3.064 1.00 0.00 N ATOM 162 CA LEU A 14 -10.275 3.058 2.491 1.00 0.00 C ATOM 163 C LEU A 14 -11.599 3.648 2.982 1.00 0.00 C ATOM 164 O LEU A 14 -12.526 2.911 3.316 1.00 0.00 O ATOM 165 CB LEU A 14 -10.154 3.003 0.967 1.00 0.00 C ATOM 166 CG LEU A 14 -8.945 2.243 0.418 1.00 0.00 C ATOM 167 CD1 LEU A 14 -9.144 1.889 -1.057 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.652 3.027 0.649 1.00 0.00 C ATOM 0 H LEU A 14 -10.785 1.043 2.762 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.483 3.727 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.059 2.545 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.119 4.024 0.588 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.855 1.305 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.270 1.349 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.029 1.262 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.274 2.803 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.809 2.464 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.716 3.991 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.508 3.185 1.718 1.00 0.00 H new ATOM 180 N TRP A 15 -11.646 4.972 3.010 1.00 0.00 N ATOM 181 CA TRP A 15 -12.841 5.669 3.454 1.00 0.00 C ATOM 182 C TRP A 15 -12.805 7.085 2.875 1.00 0.00 C ATOM 183 O TRP A 15 -11.736 7.677 2.740 1.00 0.00 O ATOM 184 CB TRP A 15 -12.952 5.650 4.979 1.00 0.00 C ATOM 185 CG TRP A 15 -13.871 6.732 5.550 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.614 8.038 5.700 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.215 6.546 6.044 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.688 8.705 6.253 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.693 7.769 6.468 1.00 0.00 C ATOM 190 CE3 TRP A 15 -16.000 5.383 6.130 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -16.972 7.947 7.007 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.276 5.577 6.670 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.772 6.802 7.102 1.00 0.00 C ATOM 0 H TRP A 15 -10.876 5.580 2.732 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.738 5.167 3.091 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.319 4.673 5.294 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.957 5.770 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.683 8.510 5.423 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.736 9.702 6.465 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.646 4.416 5.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.323 8.915 7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.921 4.715 6.757 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.770 6.870 7.509 1.00 0.00 H new ATOM 204 N PHE A 16 -13.987 7.586 2.547 1.00 0.00 N ATOM 205 CA PHE A 16 -14.104 8.921 1.986 1.00 0.00 C ATOM 206 C PHE A 16 -14.679 9.899 3.013 1.00 0.00 C ATOM 207 O PHE A 16 -15.671 9.598 3.675 1.00 0.00 O ATOM 208 CB PHE A 16 -15.064 8.824 0.798 1.00 0.00 C ATOM 209 CG PHE A 16 -15.135 10.096 -0.050 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.993 10.655 -0.534 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.339 10.667 -0.319 1.00 0.00 C ATOM 212 CE1 PHE A 16 -14.059 11.835 -1.320 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.405 11.847 -1.106 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.263 12.407 -1.590 1.00 0.00 C ATOM 0 H PHE A 16 -14.872 7.091 2.659 1.00 0.00 H new ATOM 0 HA PHE A 16 -13.122 9.286 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.757 7.993 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -16.062 8.590 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -13.037 10.201 -0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.245 10.223 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.152 12.279 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.362 12.300 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.313 13.305 -2.188 1.00 0.00 H new ATOM 224 N ASP A 17 -14.031 11.051 3.113 1.00 0.00 N ATOM 225 CA ASP A 17 -14.465 12.075 4.048 1.00 0.00 C ATOM 226 C ASP A 17 -14.969 13.290 3.267 1.00 0.00 C ATOM 227 O ASP A 17 -14.224 14.245 3.049 1.00 0.00 O ATOM 228 CB ASP A 17 -13.309 12.532 4.940 1.00 0.00 C ATOM 229 CG ASP A 17 -13.360 12.014 6.379 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.346 11.315 6.696 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.411 12.330 7.129 1.00 0.00 O ATOM 0 H ASP A 17 -13.209 11.297 2.562 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.254 11.652 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.371 12.211 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.296 13.622 4.962 1.00 0.00 H new ATOM 236 N LYS A 18 -16.230 13.216 2.868 1.00 0.00 N ATOM 237 CA LYS A 18 -16.842 14.299 2.117 1.00 0.00 C ATOM 238 C LYS A 18 -16.793 15.582 2.949 1.00 0.00 C ATOM 239 O LYS A 18 -16.928 16.680 2.411 1.00 0.00 O ATOM 240 CB LYS A 18 -18.253 13.910 1.669 1.00 0.00 C ATOM 241 CG LYS A 18 -19.178 13.723 2.873 1.00 0.00 C ATOM 242 CD LYS A 18 -19.633 12.267 2.995 1.00 0.00 C ATOM 243 CE LYS A 18 -20.636 12.100 4.138 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.946 10.668 4.350 1.00 0.00 N ATOM 0 H LYS A 18 -16.845 12.423 3.051 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.283 14.491 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.656 14.682 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.213 12.988 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.660 14.023 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.048 14.372 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.087 11.944 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.769 11.625 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.228 12.529 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.551 12.646 3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.628 10.572 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.355 10.269 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.073 10.156 4.589 1.00 0.00 H new ATOM 258 N VAL A 19 -16.600 15.401 4.247 1.00 0.00 N ATOM 259 CA VAL A 19 -16.532 16.531 5.158 1.00 0.00 C ATOM 260 C VAL A 19 -15.494 17.532 4.646 1.00 0.00 C ATOM 261 O VAL A 19 -15.837 18.656 4.284 1.00 0.00 O ATOM 262 CB VAL A 19 -16.240 16.041 6.578 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.214 17.209 7.566 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.253 14.979 7.010 1.00 0.00 C ATOM 0 H VAL A 19 -16.489 14.489 4.690 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.491 17.048 5.197 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.252 15.581 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.005 16.834 8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.437 17.916 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.182 17.711 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.023 14.647 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.257 15.403 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.202 14.129 6.330 1.00 0.00 H new ATOM 274 N GLY A 20 -14.246 17.086 4.631 1.00 0.00 N ATOM 275 CA GLY A 20 -13.156 17.929 4.170 1.00 0.00 C ATOM 276 C GLY A 20 -12.636 17.456 2.811 1.00 0.00 C ATOM 277 O GLY A 20 -11.648 17.983 2.303 1.00 0.00 O ATOM 0 H GLY A 20 -13.966 16.152 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.497 18.962 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.346 17.914 4.899 1.00 0.00 H new ATOM 281 N HIS A 21 -13.325 16.467 2.261 1.00 0.00 N ATOM 282 CA HIS A 21 -12.944 15.917 0.971 1.00 0.00 C ATOM 283 C HIS A 21 -11.541 15.313 1.063 1.00 0.00 C ATOM 284 O HIS A 21 -10.625 15.755 0.372 1.00 0.00 O ATOM 285 CB HIS A 21 -13.063 16.976 -0.127 1.00 0.00 C ATOM 286 CG HIS A 21 -14.473 17.191 -0.623 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.047 18.446 -0.728 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.416 16.299 -1.043 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.281 18.304 -1.189 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.508 16.973 -1.384 1.00 0.00 N ATOM 0 H HIS A 21 -14.145 16.032 2.685 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.629 15.114 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.674 17.921 0.251 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.433 16.685 -0.968 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.295 15.227 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -16.984 19.102 -1.377 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.374 16.563 -1.734 1.00 0.00 H new ATOM 298 N GLN A 22 -11.418 14.313 1.923 1.00 0.00 N ATOM 299 CA GLN A 22 -10.143 13.644 2.115 1.00 0.00 C ATOM 300 C GLN A 22 -10.316 12.128 2.003 1.00 0.00 C ATOM 301 O GLN A 22 -11.379 11.596 2.320 1.00 0.00 O ATOM 302 CB GLN A 22 -9.520 14.027 3.460 1.00 0.00 C ATOM 303 CG GLN A 22 -10.174 15.288 4.028 1.00 0.00 C ATOM 304 CD GLN A 22 -9.676 15.572 5.447 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.085 16.601 5.730 1.00 0.00 O ATOM 306 NE2 GLN A 22 -9.948 14.605 6.319 1.00 0.00 N ATOM 0 H GLN A 22 -12.181 13.950 2.495 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.462 13.971 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.635 13.204 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.450 14.193 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.952 16.139 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.257 15.168 4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.447 13.769 6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.658 14.700 7.292 1.00 0.00 H new ATOM 315 N LEU A 23 -9.255 11.475 1.551 1.00 0.00 N ATOM 316 CA LEU A 23 -9.277 10.031 1.393 1.00 0.00 C ATOM 317 C LEU A 23 -8.595 9.380 2.598 1.00 0.00 C ATOM 318 O LEU A 23 -7.404 9.585 2.828 1.00 0.00 O ATOM 319 CB LEU A 23 -8.664 9.630 0.050 1.00 0.00 C ATOM 320 CG LEU A 23 -9.223 8.357 -0.589 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.741 8.449 -0.758 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.516 8.051 -1.911 1.00 0.00 C ATOM 0 H LEU A 23 -8.375 11.920 1.289 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.304 9.666 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.801 10.454 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.590 9.503 0.187 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.024 7.522 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.113 7.531 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.208 8.584 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.985 9.297 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.932 7.141 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.661 8.881 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.450 7.912 -1.730 1.00 0.00 H new ATOM 334 N ILE A 24 -9.380 8.609 3.337 1.00 0.00 N ATOM 335 CA ILE A 24 -8.867 7.927 4.513 1.00 0.00 C ATOM 336 C ILE A 24 -8.325 6.555 4.105 1.00 0.00 C ATOM 337 O ILE A 24 -9.093 5.616 3.902 1.00 0.00 O ATOM 338 CB ILE A 24 -9.936 7.866 5.606 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.069 9.214 6.318 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.654 6.726 6.586 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.448 10.320 5.331 1.00 0.00 C ATOM 0 H ILE A 24 -10.367 8.442 3.144 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.035 8.484 4.944 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.895 7.655 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.826 9.144 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.128 9.465 6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.429 6.705 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.649 5.777 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.683 6.882 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.536 11.268 5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.677 10.404 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.401 10.077 4.861 1.00 0.00 H new ATOM 353 N VAL A 25 -7.006 6.483 3.998 1.00 0.00 N ATOM 354 CA VAL A 25 -6.353 5.242 3.619 1.00 0.00 C ATOM 355 C VAL A 25 -5.654 4.645 4.842 1.00 0.00 C ATOM 356 O VAL A 25 -4.681 5.207 5.342 1.00 0.00 O ATOM 357 CB VAL A 25 -5.401 5.489 2.447 1.00 0.00 C ATOM 358 CG1 VAL A 25 -4.818 4.173 1.928 1.00 0.00 C ATOM 359 CG2 VAL A 25 -6.099 6.260 1.326 1.00 0.00 C ATOM 0 H VAL A 25 -6.372 7.264 4.167 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.087 4.513 3.276 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.575 6.101 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.145 4.377 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.267 3.679 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.627 3.525 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.400 6.422 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.953 5.686 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.442 7.222 1.705 1.00 0.00 H new ATOM 369 N THR A 26 -6.178 3.513 5.289 1.00 0.00 N ATOM 370 CA THR A 26 -5.617 2.833 6.444 1.00 0.00 C ATOM 371 C THR A 26 -4.953 1.521 6.019 1.00 0.00 C ATOM 372 O THR A 26 -5.612 0.633 5.481 1.00 0.00 O ATOM 373 CB THR A 26 -6.735 2.643 7.470 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.530 3.698 8.406 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.558 1.370 8.300 1.00 0.00 C ATOM 0 H THR A 26 -6.985 3.050 4.872 1.00 0.00 H new ATOM 0 HA THR A 26 -4.828 3.426 6.908 1.00 0.00 H new ATOM 0 HB THR A 26 -7.696 2.612 6.957 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.884 3.412 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.378 1.283 9.013 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.557 0.502 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.612 1.416 8.840 1.00 0.00 H new ATOM 383 N ILE A 27 -3.656 1.441 6.278 1.00 0.00 N ATOM 384 CA ILE A 27 -2.895 0.253 5.930 1.00 0.00 C ATOM 385 C ILE A 27 -2.953 -0.742 7.090 1.00 0.00 C ATOM 386 O ILE A 27 -2.122 -0.694 7.996 1.00 0.00 O ATOM 387 CB ILE A 27 -1.472 0.631 5.514 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.485 1.577 4.311 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.628 -0.618 5.251 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.141 0.914 3.099 1.00 0.00 C ATOM 0 H ILE A 27 -3.113 2.180 6.725 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.335 -0.241 5.064 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.006 1.167 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.024 2.489 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.465 1.869 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.379 -0.321 4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.578 -1.221 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.082 -1.202 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.137 1.608 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.585 0.016 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.169 0.646 3.343 1.00 0.00 H new ATOM 402 N LEU A 28 -3.942 -1.621 7.025 1.00 0.00 N ATOM 403 CA LEU A 28 -4.119 -2.627 8.059 1.00 0.00 C ATOM 404 C LEU A 28 -2.819 -3.416 8.224 1.00 0.00 C ATOM 405 O LEU A 28 -1.896 -2.965 8.899 1.00 0.00 O ATOM 406 CB LEU A 28 -5.336 -3.502 7.752 1.00 0.00 C ATOM 407 CG LEU A 28 -6.692 -2.794 7.765 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.708 -3.539 6.897 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.195 -2.599 9.197 1.00 0.00 C ATOM 0 H LEU A 28 -4.629 -1.658 6.272 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.329 -2.155 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.195 -3.955 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.366 -4.315 8.477 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.564 -1.802 7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.663 -3.015 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.346 -3.582 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.839 -4.552 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.161 -2.094 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.303 -3.570 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.480 -1.994 9.755 1.00 0.00 H new ATOM 421 N GLY A 29 -2.789 -4.582 7.596 1.00 0.00 N ATOM 422 CA GLY A 29 -1.617 -5.439 7.664 1.00 0.00 C ATOM 423 C GLY A 29 -1.579 -6.412 6.484 1.00 0.00 C ATOM 424 O GLY A 29 -2.543 -6.513 5.727 1.00 0.00 O ATOM 0 H GLY A 29 -3.557 -4.954 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.715 -4.827 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.624 -5.997 8.600 1.00 0.00 H new ATOM 428 N ALA A 30 -0.456 -7.105 6.365 1.00 0.00 N ATOM 429 CA ALA A 30 -0.280 -8.066 5.290 1.00 0.00 C ATOM 430 C ALA A 30 -0.201 -9.476 5.880 1.00 0.00 C ATOM 431 O ALA A 30 0.166 -9.647 7.042 1.00 0.00 O ATOM 432 CB ALA A 30 0.965 -7.703 4.479 1.00 0.00 C ATOM 0 H ALA A 30 0.341 -7.020 6.996 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.131 -8.040 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.097 -8.424 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.846 -6.705 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.840 -7.721 5.128 1.00 0.00 H new ATOM 438 N LYS A 31 -0.553 -10.449 5.053 1.00 0.00 N ATOM 439 CA LYS A 31 -0.527 -11.839 5.479 1.00 0.00 C ATOM 440 C LYS A 31 -0.090 -12.718 4.306 1.00 0.00 C ATOM 441 O LYS A 31 -0.083 -12.272 3.159 1.00 0.00 O ATOM 442 CB LYS A 31 -1.875 -12.240 6.080 1.00 0.00 C ATOM 443 CG LYS A 31 -2.919 -12.463 4.984 1.00 0.00 C ATOM 444 CD LYS A 31 -2.964 -13.932 4.559 1.00 0.00 C ATOM 445 CE LYS A 31 -4.040 -14.695 5.335 1.00 0.00 C ATOM 446 NZ LYS A 31 -3.503 -15.979 5.839 1.00 0.00 N ATOM 0 H LYS A 31 -0.858 -10.303 4.091 1.00 0.00 H new ATOM 0 HA LYS A 31 0.205 -11.981 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.759 -13.151 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.219 -11.462 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.901 -12.155 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.685 -11.838 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.165 -13.999 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.991 -14.394 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.393 -14.089 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.899 -14.881 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.184 -16.741 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.602 -16.189 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.345 -15.911 6.865 1.00 0.00 H new ATOM 460 N ASP A 32 0.264 -13.953 4.633 1.00 0.00 N ATOM 461 CA ASP A 32 0.702 -14.899 3.621 1.00 0.00 C ATOM 462 C ASP A 32 1.868 -14.296 2.835 1.00 0.00 C ATOM 463 O ASP A 32 1.818 -14.214 1.609 1.00 0.00 O ATOM 464 CB ASP A 32 -0.425 -15.208 2.633 1.00 0.00 C ATOM 465 CG ASP A 32 -1.441 -16.245 3.115 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.113 -16.949 4.095 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.523 -16.311 2.493 1.00 0.00 O ATOM 0 H ASP A 32 0.256 -14.320 5.585 1.00 0.00 H new ATOM 0 HA ASP A 32 1.002 -15.818 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.953 -14.282 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.016 -15.560 1.700 1.00 0.00 H new ATOM 472 N LEU A 33 2.890 -13.889 3.573 1.00 0.00 N ATOM 473 CA LEU A 33 4.066 -13.296 2.961 1.00 0.00 C ATOM 474 C LEU A 33 5.138 -14.373 2.776 1.00 0.00 C ATOM 475 O LEU A 33 5.101 -15.409 3.438 1.00 0.00 O ATOM 476 CB LEU A 33 4.541 -12.088 3.771 1.00 0.00 C ATOM 477 CG LEU A 33 4.011 -10.726 3.318 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.588 -10.846 2.771 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.107 -9.698 4.447 1.00 0.00 C ATOM 0 H LEU A 33 2.928 -13.958 4.590 1.00 0.00 H new ATOM 0 HA LEU A 33 3.826 -12.911 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.255 -12.239 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.630 -12.060 3.740 1.00 0.00 H new ATOM 0 HG LEU A 33 4.640 -10.368 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.235 -9.864 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.582 -11.524 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.931 -11.235 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.724 -8.739 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.517 -10.037 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.148 -9.585 4.749 1.00 0.00 H new ATOM 612 N ARG A 42 11.899 -11.199 7.377 1.00 0.00 N ATOM 613 CA ARG A 42 12.318 -9.972 6.721 1.00 0.00 C ATOM 614 C ARG A 42 11.594 -8.770 7.332 1.00 0.00 C ATOM 615 O ARG A 42 10.866 -8.912 8.313 1.00 0.00 O ATOM 616 CB ARG A 42 12.029 -10.024 5.220 1.00 0.00 C ATOM 617 CG ARG A 42 10.804 -10.894 4.927 1.00 0.00 C ATOM 618 CD ARG A 42 10.391 -10.782 3.458 1.00 0.00 C ATOM 619 NE ARG A 42 11.029 -11.861 2.670 1.00 0.00 N ATOM 620 CZ ARG A 42 11.345 -11.757 1.372 1.00 0.00 C ATOM 621 NH1 ARG A 42 11.084 -10.622 0.708 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.921 -12.787 0.737 1.00 0.00 N ATOM 0 HA ARG A 42 13.393 -9.867 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.861 -9.015 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.896 -10.421 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.026 -11.934 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.975 -10.589 5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.307 -10.849 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.684 -9.809 3.062 1.00 0.00 H new ATOM 0 HE ARG A 42 11.241 -12.738 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.645 -9.838 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.324 -10.542 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.119 -13.651 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.161 -12.707 -0.251 1.00 0.00 H new ATOM 636 N ASN A 43 11.819 -7.614 6.725 1.00 0.00 N ATOM 637 CA ASN A 43 11.197 -6.388 7.197 1.00 0.00 C ATOM 638 C ASN A 43 10.246 -5.857 6.122 1.00 0.00 C ATOM 639 O ASN A 43 10.644 -5.058 5.277 1.00 0.00 O ATOM 640 CB ASN A 43 12.246 -5.310 7.475 1.00 0.00 C ATOM 641 CG ASN A 43 13.301 -5.812 8.462 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.146 -6.835 9.110 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.380 -5.039 8.541 1.00 0.00 N ATOM 0 H ASN A 43 12.423 -7.500 5.911 1.00 0.00 H new ATOM 0 HA ASN A 43 10.661 -6.615 8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.727 -5.016 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.761 -4.421 7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.141 -5.289 9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.446 -4.196 7.971 1.00 0.00 H new ATOM 650 N PRO A 44 8.975 -6.336 6.192 1.00 0.00 N ATOM 651 CA PRO A 44 7.965 -5.918 5.236 1.00 0.00 C ATOM 652 C PRO A 44 7.483 -4.497 5.533 1.00 0.00 C ATOM 653 O PRO A 44 7.579 -4.029 6.666 1.00 0.00 O ATOM 654 CB PRO A 44 6.860 -6.956 5.351 1.00 0.00 C ATOM 655 CG PRO A 44 7.078 -7.649 6.687 1.00 0.00 C ATOM 656 CD PRO A 44 8.468 -7.284 7.180 1.00 0.00 C ATOM 0 HA PRO A 44 8.346 -5.872 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.877 -6.487 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.907 -7.670 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.323 -7.335 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.984 -8.729 6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.431 -6.838 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.107 -8.164 7.249 1.00 0.00 H new ATOM 664 N TYR A 45 6.974 -3.850 4.495 1.00 0.00 N ATOM 665 CA TYR A 45 6.477 -2.491 4.630 1.00 0.00 C ATOM 666 C TYR A 45 5.734 -2.050 3.367 1.00 0.00 C ATOM 667 O TYR A 45 6.287 -2.099 2.269 1.00 0.00 O ATOM 668 CB TYR A 45 7.711 -1.607 4.817 1.00 0.00 C ATOM 669 CG TYR A 45 8.298 -1.074 3.508 1.00 0.00 C ATOM 670 CD1 TYR A 45 7.819 0.100 2.964 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.308 -1.768 2.872 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.372 0.601 1.732 1.00 0.00 C ATOM 673 CE2 TYR A 45 9.860 -1.267 1.640 1.00 0.00 C ATOM 674 CZ TYR A 45 9.365 -0.107 1.131 1.00 0.00 C ATOM 675 OH TYR A 45 9.887 0.366 -0.032 1.00 0.00 O ATOM 0 H TYR A 45 6.895 -4.242 3.557 1.00 0.00 H new ATOM 0 HA TYR A 45 5.781 -2.419 5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.448 -0.764 5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.478 -2.177 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.029 0.643 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.684 -2.686 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.006 1.519 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.649 -1.800 1.132 1.00 0.00 H new ATOM 0 HH TYR A 45 10.588 -0.242 -0.347 1.00 0.00 H new ATOM 685 N VAL A 46 4.493 -1.630 3.565 1.00 0.00 N ATOM 686 CA VAL A 46 3.670 -1.181 2.455 1.00 0.00 C ATOM 687 C VAL A 46 4.083 0.238 2.060 1.00 0.00 C ATOM 688 O VAL A 46 4.758 0.927 2.824 1.00 0.00 O ATOM 689 CB VAL A 46 2.189 -1.291 2.825 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.299 -0.914 1.639 1.00 0.00 C ATOM 691 CG2 VAL A 46 1.855 -2.694 3.337 1.00 0.00 C ATOM 0 H VAL A 46 4.038 -1.591 4.477 1.00 0.00 H new ATOM 0 HA VAL A 46 3.823 -1.818 1.584 1.00 0.00 H new ATOM 0 HB VAL A 46 1.991 -0.584 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.252 -1.000 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.509 0.112 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.502 -1.585 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.797 -2.746 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.077 -3.427 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.453 -2.910 4.222 1.00 0.00 H new ATOM 701 N LYS A 47 3.661 0.633 0.868 1.00 0.00 N ATOM 702 CA LYS A 47 3.979 1.958 0.363 1.00 0.00 C ATOM 703 C LYS A 47 2.847 2.436 -0.550 1.00 0.00 C ATOM 704 O LYS A 47 2.589 1.835 -1.591 1.00 0.00 O ATOM 705 CB LYS A 47 5.353 1.959 -0.310 1.00 0.00 C ATOM 706 CG LYS A 47 5.783 3.381 -0.676 1.00 0.00 C ATOM 707 CD LYS A 47 7.299 3.465 -0.862 1.00 0.00 C ATOM 708 CE LYS A 47 7.739 2.719 -2.124 1.00 0.00 C ATOM 709 NZ LYS A 47 8.503 3.618 -3.018 1.00 0.00 N ATOM 0 H LYS A 47 3.102 0.059 0.237 1.00 0.00 H new ATOM 0 HA LYS A 47 4.051 2.672 1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.090 1.513 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.323 1.342 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.283 3.691 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.470 4.072 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.604 4.510 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.800 3.041 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.353 1.861 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.865 2.332 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.404 3.296 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.135 4.587 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.507 3.604 -2.749 1.00 0.00 H new ATOM 723 N ILE A 48 2.203 3.513 -0.125 1.00 0.00 N ATOM 724 CA ILE A 48 1.105 4.078 -0.891 1.00 0.00 C ATOM 725 C ILE A 48 1.651 5.136 -1.852 1.00 0.00 C ATOM 726 O ILE A 48 2.634 5.810 -1.546 1.00 0.00 O ATOM 727 CB ILE A 48 0.014 4.602 0.044 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.501 3.492 0.963 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.117 5.262 -0.748 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.421 3.914 2.431 1.00 0.00 C ATOM 0 H ILE A 48 2.420 4.009 0.739 1.00 0.00 H new ATOM 0 HA ILE A 48 0.629 3.309 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 48 0.451 5.370 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.533 3.252 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.085 2.586 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.879 5.626 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.719 6.098 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.559 4.533 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.793 3.107 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.615 4.130 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.028 4.806 2.587 1.00 0.00 H new ATOM 742 N TYR A 49 0.991 5.249 -2.995 1.00 0.00 N ATOM 743 CA TYR A 49 1.398 6.213 -4.003 1.00 0.00 C ATOM 744 C TYR A 49 0.197 6.687 -4.824 1.00 0.00 C ATOM 745 O TYR A 49 -0.331 5.941 -5.647 1.00 0.00 O ATOM 746 CB TYR A 49 2.371 5.475 -4.924 1.00 0.00 C ATOM 747 CG TYR A 49 3.815 5.971 -4.830 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.083 7.325 -4.871 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.849 5.066 -4.704 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.442 7.792 -4.782 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.208 5.534 -4.615 1.00 0.00 C ATOM 752 CZ TYR A 49 6.438 6.874 -4.659 1.00 0.00 C ATOM 753 OH TYR A 49 7.721 7.315 -4.575 1.00 0.00 O ATOM 0 H TYR A 49 0.177 4.688 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 49 1.848 7.090 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.347 4.412 -4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.029 5.577 -5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.274 8.033 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.639 4.007 -4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.666 8.848 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.027 4.836 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 49 8.325 6.548 -4.490 1.00 0.00 H new ATOM 763 N PHE A 50 -0.199 7.926 -4.572 1.00 0.00 N ATOM 764 CA PHE A 50 -1.328 8.509 -5.278 1.00 0.00 C ATOM 765 C PHE A 50 -0.896 9.069 -6.635 1.00 0.00 C ATOM 766 O PHE A 50 0.048 9.853 -6.715 1.00 0.00 O ATOM 767 CB PHE A 50 -1.854 9.655 -4.411 1.00 0.00 C ATOM 768 CG PHE A 50 -3.371 9.839 -4.478 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.080 9.280 -5.495 1.00 0.00 C ATOM 770 CD2 PHE A 50 -4.011 10.563 -3.521 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.488 9.451 -5.558 1.00 0.00 C ATOM 772 CE2 PHE A 50 -5.420 10.735 -3.584 1.00 0.00 C ATOM 773 CZ PHE A 50 -6.128 10.175 -4.600 1.00 0.00 C ATOM 0 H PHE A 50 0.241 8.542 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.089 7.749 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.565 9.476 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.372 10.582 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.572 8.706 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.448 11.007 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.051 9.007 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.928 11.311 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.199 10.305 -4.647 1.00 0.00 H new ATOM 783 N LEU A 51 -1.608 8.643 -7.668 1.00 0.00 N ATOM 784 CA LEU A 51 -1.310 9.092 -9.018 1.00 0.00 C ATOM 785 C LEU A 51 -2.374 10.098 -9.462 1.00 0.00 C ATOM 786 O LEU A 51 -3.499 10.078 -8.964 1.00 0.00 O ATOM 787 CB LEU A 51 -1.163 7.896 -9.960 1.00 0.00 C ATOM 788 CG LEU A 51 -0.126 6.846 -9.554 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.109 7.505 -8.937 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.742 5.799 -8.623 1.00 0.00 C ATOM 0 H LEU A 51 -2.390 7.992 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.351 9.609 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.133 7.406 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.905 8.269 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 51 0.203 6.325 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.830 6.737 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.562 8.181 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.816 8.068 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.016 5.065 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.116 6.287 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.565 5.298 -9.133 1.00 0.00 H new ATOM 933 N ARG A 60 3.187 8.194 1.334 1.00 0.00 N ATOM 934 CA ARG A 60 3.133 7.893 2.754 1.00 0.00 C ATOM 935 C ARG A 60 3.110 6.379 2.975 1.00 0.00 C ATOM 936 O ARG A 60 2.188 5.697 2.532 1.00 0.00 O ATOM 937 CB ARG A 60 1.893 8.514 3.402 1.00 0.00 C ATOM 938 CG ARG A 60 2.276 9.693 4.298 1.00 0.00 C ATOM 939 CD ARG A 60 2.401 9.254 5.758 1.00 0.00 C ATOM 940 NE ARG A 60 2.339 10.435 6.649 1.00 0.00 N ATOM 941 CZ ARG A 60 3.362 11.277 6.853 1.00 0.00 C ATOM 942 NH1 ARG A 60 4.531 11.073 6.231 1.00 0.00 N ATOM 943 NH2 ARG A 60 3.215 12.322 7.678 1.00 0.00 N ATOM 0 HA ARG A 60 4.023 8.318 3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.203 8.850 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.369 7.760 3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.221 10.119 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.524 10.478 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.600 8.558 6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.342 8.724 5.908 1.00 0.00 H new ATOM 0 HE ARG A 60 1.463 10.619 7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.642 10.277 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.310 11.713 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.325 12.477 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.993 12.963 7.833 1.00 0.00 H new ATOM 957 N ARG A 61 4.137 5.898 3.661 1.00 0.00 N ATOM 958 CA ARG A 61 4.247 4.478 3.947 1.00 0.00 C ATOM 959 C ARG A 61 4.168 4.232 5.455 1.00 0.00 C ATOM 960 O ARG A 61 4.389 5.144 6.249 1.00 0.00 O ATOM 961 CB ARG A 61 5.563 3.909 3.412 1.00 0.00 C ATOM 962 CG ARG A 61 6.759 4.489 4.170 1.00 0.00 C ATOM 963 CD ARG A 61 7.516 5.500 3.307 1.00 0.00 C ATOM 964 NE ARG A 61 7.901 6.674 4.123 1.00 0.00 N ATOM 965 CZ ARG A 61 8.775 7.609 3.728 1.00 0.00 C ATOM 966 NH1 ARG A 61 9.361 7.514 2.526 1.00 0.00 N ATOM 967 NH2 ARG A 61 9.064 8.640 4.534 1.00 0.00 N ATOM 0 H ARG A 61 4.900 6.467 4.027 1.00 0.00 H new ATOM 0 HA ARG A 61 3.418 3.974 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.559 2.823 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.656 4.136 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.415 4.972 5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.431 3.684 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.405 5.034 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.892 5.816 2.471 1.00 0.00 H new ATOM 0 HE ARG A 61 7.474 6.777 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.141 6.730 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.027 8.226 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.618 8.713 5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.730 9.352 4.233 1.00 0.00 H new ATOM 981 N THR A 62 3.851 2.993 5.804 1.00 0.00 N ATOM 982 CA THR A 62 3.740 2.616 7.203 1.00 0.00 C ATOM 983 C THR A 62 5.125 2.349 7.795 1.00 0.00 C ATOM 984 O THR A 62 6.113 2.277 7.065 1.00 0.00 O ATOM 985 CB THR A 62 2.798 1.413 7.294 1.00 0.00 C ATOM 986 OG1 THR A 62 3.419 0.423 6.478 1.00 0.00 O ATOM 987 CG2 THR A 62 1.453 1.669 6.611 1.00 0.00 C ATOM 0 H THR A 62 3.668 2.238 5.143 1.00 0.00 H new ATOM 0 HA THR A 62 3.317 3.425 7.799 1.00 0.00 H new ATOM 0 HB THR A 62 2.631 1.162 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.224 -0.467 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.823 0.784 6.705 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.960 2.518 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.617 1.888 5.556 1.00 0.00 H new ATOM 995 N LYS A 63 5.154 2.210 9.112 1.00 0.00 N ATOM 996 CA LYS A 63 6.402 1.953 9.811 1.00 0.00 C ATOM 997 C LYS A 63 7.013 0.651 9.291 1.00 0.00 C ATOM 998 O LYS A 63 6.292 -0.266 8.900 1.00 0.00 O ATOM 999 CB LYS A 63 6.181 1.968 11.325 1.00 0.00 C ATOM 1000 CG LYS A 63 4.950 1.145 11.707 1.00 0.00 C ATOM 1001 CD LYS A 63 5.169 0.413 13.033 1.00 0.00 C ATOM 1002 CE LYS A 63 4.803 -1.068 12.909 1.00 0.00 C ATOM 1003 NZ LYS A 63 6.024 -1.905 12.906 1.00 0.00 N ATOM 0 H LYS A 63 4.333 2.270 9.714 1.00 0.00 H new ATOM 0 HA LYS A 63 7.122 2.746 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.061 1.568 11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.057 2.995 11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.082 1.799 11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.733 0.422 10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.211 0.509 13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.565 0.877 13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.157 -1.360 13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.239 -1.234 11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.773 -2.886 13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.461 -1.878 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.697 -1.540 13.610 1.00 0.00 H new ATOM 1017 N THR A 64 8.338 0.610 9.303 1.00 0.00 N ATOM 1018 CA THR A 64 9.054 -0.565 8.837 1.00 0.00 C ATOM 1019 C THR A 64 9.087 -1.637 9.929 1.00 0.00 C ATOM 1020 O THR A 64 9.747 -1.466 10.952 1.00 0.00 O ATOM 1021 CB THR A 64 10.445 -0.121 8.381 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.186 0.794 7.319 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.232 -1.251 7.714 1.00 0.00 C ATOM 0 H THR A 64 8.934 1.372 9.628 1.00 0.00 H new ATOM 0 HA THR A 64 8.549 -1.025 7.988 1.00 0.00 H new ATOM 0 HB THR A 64 11.005 0.254 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.035 1.133 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.211 -0.882 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.357 -2.073 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.689 -1.604 6.837 1.00 0.00 H new ATOM 1031 N VAL A 65 8.366 -2.719 9.673 1.00 0.00 N ATOM 1032 CA VAL A 65 8.304 -3.818 10.620 1.00 0.00 C ATOM 1033 C VAL A 65 9.558 -4.683 10.474 1.00 0.00 C ATOM 1034 O VAL A 65 10.081 -4.843 9.373 1.00 0.00 O ATOM 1035 CB VAL A 65 7.007 -4.607 10.423 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.535 -5.224 11.741 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.918 -3.726 9.809 1.00 0.00 C ATOM 0 H VAL A 65 7.820 -2.857 8.823 1.00 0.00 H new ATOM 0 HA VAL A 65 8.287 -3.440 11.642 1.00 0.00 H new ATOM 0 HB VAL A 65 7.212 -5.420 9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.612 -5.779 11.573 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.301 -5.900 12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.355 -4.433 12.469 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.007 -4.311 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.717 -2.883 10.469 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.253 -3.356 8.840 1.00 0.00 H new ATOM 1047 N LYS A 66 10.003 -5.218 11.602 1.00 0.00 N ATOM 1048 CA LYS A 66 11.186 -6.062 11.613 1.00 0.00 C ATOM 1049 C LYS A 66 10.779 -7.497 11.957 1.00 0.00 C ATOM 1050 O LYS A 66 10.031 -7.723 12.906 1.00 0.00 O ATOM 1051 CB LYS A 66 12.248 -5.483 12.550 1.00 0.00 C ATOM 1052 CG LYS A 66 12.531 -4.016 12.218 1.00 0.00 C ATOM 1053 CD LYS A 66 13.912 -3.855 11.581 1.00 0.00 C ATOM 1054 CE LYS A 66 14.533 -2.506 11.951 1.00 0.00 C ATOM 1055 NZ LYS A 66 15.999 -2.635 12.105 1.00 0.00 N ATOM 0 H LYS A 66 9.566 -5.083 12.514 1.00 0.00 H new ATOM 0 HA LYS A 66 11.646 -6.088 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.911 -5.567 13.583 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.167 -6.063 12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.767 -3.639 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.473 -3.416 13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.565 -4.663 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.828 -3.936 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.306 -1.771 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.095 -2.140 12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.404 -1.711 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.210 -3.321 12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.414 -2.964 11.210 1.00 0.00 H new ATOM 1069 N LYS A 67 11.291 -8.428 11.166 1.00 0.00 N ATOM 1070 CA LYS A 67 10.991 -9.834 11.374 1.00 0.00 C ATOM 1071 C LYS A 67 9.497 -9.995 11.665 1.00 0.00 C ATOM 1072 O LYS A 67 9.075 -9.928 12.818 1.00 0.00 O ATOM 1073 CB LYS A 67 11.895 -10.420 12.460 1.00 0.00 C ATOM 1074 CG LYS A 67 13.366 -10.357 12.042 1.00 0.00 C ATOM 1075 CD LYS A 67 14.210 -11.340 12.856 1.00 0.00 C ATOM 1076 CE LYS A 67 14.544 -10.765 14.234 1.00 0.00 C ATOM 1077 NZ LYS A 67 15.902 -10.177 14.236 1.00 0.00 N ATOM 0 H LYS A 67 11.912 -8.236 10.380 1.00 0.00 H new ATOM 0 HA LYS A 67 11.204 -10.406 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.754 -9.871 13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.612 -11.455 12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.456 -10.587 10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.745 -9.344 12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.670 -12.280 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.131 -11.565 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.812 -10.004 14.504 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.480 -11.550 14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.112 -9.792 15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.599 -10.912 13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.951 -9.414 13.531 1.00 0.00 H new ATOM 1091 N THR A 68 8.739 -10.204 10.599 1.00 0.00 N ATOM 1092 CA THR A 68 7.301 -10.374 10.725 1.00 0.00 C ATOM 1093 C THR A 68 6.673 -10.640 9.356 1.00 0.00 C ATOM 1094 O THR A 68 6.657 -9.761 8.495 1.00 0.00 O ATOM 1095 CB THR A 68 6.737 -9.135 11.422 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.647 -9.634 12.192 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.085 -8.158 10.442 1.00 0.00 C ATOM 0 H THR A 68 9.093 -10.260 9.644 1.00 0.00 H new ATOM 0 HA THR A 68 7.058 -11.245 11.333 1.00 0.00 H new ATOM 0 HB THR A 68 7.536 -8.628 11.962 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.225 -8.895 12.678 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.701 -7.296 10.988 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.824 -7.826 9.713 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.264 -8.655 9.925 1.00 0.00 H new ATOM 1105 N LEU A 69 6.172 -11.856 9.196 1.00 0.00 N ATOM 1106 CA LEU A 69 5.544 -12.249 7.946 1.00 0.00 C ATOM 1107 C LEU A 69 4.155 -11.614 7.856 1.00 0.00 C ATOM 1108 O LEU A 69 3.587 -11.506 6.770 1.00 0.00 O ATOM 1109 CB LEU A 69 5.534 -13.772 7.806 1.00 0.00 C ATOM 1110 CG LEU A 69 6.753 -14.391 7.119 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.791 -14.023 5.634 1.00 0.00 C ATOM 1112 CD2 LEU A 69 8.045 -14.001 7.839 1.00 0.00 C ATOM 0 H LEU A 69 6.188 -12.583 9.912 1.00 0.00 H new ATOM 0 HA LEU A 69 6.120 -11.878 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.442 -14.208 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.643 -14.060 7.249 1.00 0.00 H new ATOM 0 HG LEU A 69 6.665 -15.476 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.667 -14.475 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.889 -14.392 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.844 -12.939 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.896 -14.454 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.153 -12.916 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.008 -14.354 8.870 1.00 0.00 H new ATOM 1124 N GLU A 70 3.648 -11.209 9.012 1.00 0.00 N ATOM 1125 CA GLU A 70 2.337 -10.588 9.077 1.00 0.00 C ATOM 1126 C GLU A 70 2.421 -9.245 9.805 1.00 0.00 C ATOM 1127 O GLU A 70 2.199 -9.175 11.013 1.00 0.00 O ATOM 1128 CB GLU A 70 1.324 -11.515 9.752 1.00 0.00 C ATOM 1129 CG GLU A 70 0.427 -12.195 8.715 1.00 0.00 C ATOM 1130 CD GLU A 70 -0.439 -13.276 9.365 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -1.328 -12.892 10.155 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.192 -14.462 9.056 1.00 0.00 O ATOM 0 H GLU A 70 4.122 -11.299 9.911 1.00 0.00 H new ATOM 0 HA GLU A 70 1.992 -10.406 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.850 -12.271 10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.711 -10.944 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.211 -11.452 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.042 -12.638 7.932 1.00 0.00 H new ATOM 1139 N PRO A 71 2.751 -8.185 9.020 1.00 0.00 N ATOM 1140 CA PRO A 71 2.868 -6.848 9.577 1.00 0.00 C ATOM 1141 C PRO A 71 1.489 -6.251 9.863 1.00 0.00 C ATOM 1142 O PRO A 71 0.535 -6.504 9.129 1.00 0.00 O ATOM 1143 CB PRO A 71 3.655 -6.058 8.544 1.00 0.00 C ATOM 1144 CG PRO A 71 3.548 -6.845 7.248 1.00 0.00 C ATOM 1145 CD PRO A 71 3.022 -8.231 7.586 1.00 0.00 C ATOM 0 HA PRO A 71 3.378 -6.837 10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.247 -5.054 8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.696 -5.946 8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.878 -6.342 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.521 -6.914 6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.120 -8.461 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.754 -9.002 7.346 1.00 0.00 H new ATOM 1153 N LYS A 72 1.427 -5.469 10.931 1.00 0.00 N ATOM 1154 CA LYS A 72 0.181 -4.834 11.323 1.00 0.00 C ATOM 1155 C LYS A 72 0.433 -3.349 11.592 1.00 0.00 C ATOM 1156 O LYS A 72 0.855 -2.976 12.685 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.450 -5.575 12.503 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.919 -6.971 12.087 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.013 -7.484 13.027 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.600 -8.806 13.678 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.234 -8.949 15.007 1.00 0.00 N ATOM 0 H LYS A 72 2.221 -5.261 11.537 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.547 -4.892 10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.274 -5.657 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.295 -5.003 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.297 -6.942 11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.074 -7.660 12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.212 -6.741 13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.940 -7.622 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.890 -9.640 13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.515 -8.845 13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.943 -9.851 15.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.936 -8.163 15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.269 -8.933 14.902 1.00 0.00 H new ATOM 1175 N TRP A 73 0.163 -2.542 10.577 1.00 0.00 N ATOM 1176 CA TRP A 73 0.355 -1.106 10.690 1.00 0.00 C ATOM 1177 C TRP A 73 -0.947 -0.495 11.213 1.00 0.00 C ATOM 1178 O TRP A 73 -0.924 0.364 12.093 1.00 0.00 O ATOM 1179 CB TRP A 73 0.804 -0.506 9.357 1.00 0.00 C ATOM 1180 CG TRP A 73 1.885 -1.319 8.641 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.213 -1.260 8.817 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.676 -2.320 7.623 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.872 -2.147 7.990 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.907 -2.812 7.241 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.486 -2.794 7.045 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.068 -3.803 6.266 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.663 -3.785 6.072 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.895 -4.291 5.676 1.00 0.00 C ATOM 0 H TRP A 73 -0.187 -2.855 9.672 1.00 0.00 H new ATOM 0 HA TRP A 73 1.155 -0.878 11.395 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -0.062 -0.415 8.701 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.179 0.503 9.532 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.705 -0.601 9.518 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.881 -2.289 7.938 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.488 -2.423 7.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.043 -4.171 5.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.220 -4.184 5.596 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.948 -5.057 4.917 1.00 0.00 H new ATOM 1199 N ASN A 74 -2.051 -0.961 10.648 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.360 -0.471 11.045 1.00 0.00 C ATOM 1201 C ASN A 74 -3.295 1.045 11.236 1.00 0.00 C ATOM 1202 O ASN A 74 -3.959 1.593 12.116 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.803 -1.096 12.370 1.00 0.00 C ATOM 1204 CG ASN A 74 -5.068 -1.935 12.184 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -5.041 -3.043 11.674 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -6.177 -1.346 12.625 1.00 0.00 N ATOM 0 H ASN A 74 -2.066 -1.673 9.918 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.072 -0.738 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.003 -1.721 12.767 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.988 -0.311 13.103 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.074 -1.824 12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.129 -0.416 13.042 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.490 1.682 10.398 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.330 3.124 10.463 1.00 0.00 C ATOM 1215 C GLN A 75 -3.415 3.817 9.636 1.00 0.00 C ATOM 1216 O GLN A 75 -4.313 3.161 9.111 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.934 3.543 9.997 1.00 0.00 C ATOM 1218 CG GLN A 75 0.103 3.313 11.098 1.00 0.00 C ATOM 1219 CD GLN A 75 0.653 4.642 11.619 1.00 0.00 C ATOM 1220 OE1 GLN A 75 -0.014 5.390 12.315 1.00 0.00 O ATOM 1221 NE2 GLN A 75 1.905 4.894 11.245 1.00 0.00 N ATOM 0 H GLN A 75 -1.941 1.225 9.670 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.439 3.435 11.502 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.658 2.976 9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.942 4.596 9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.350 2.756 11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.920 2.704 10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.407 4.225 10.661 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.362 5.756 11.542 1.00 0.00 H new ATOM 1230 N THR A 76 -3.296 5.133 9.546 1.00 0.00 N ATOM 1231 CA THR A 76 -4.255 5.921 8.791 1.00 0.00 C ATOM 1232 C THR A 76 -3.534 6.971 7.943 1.00 0.00 C ATOM 1233 O THR A 76 -2.526 7.533 8.370 1.00 0.00 O ATOM 1234 CB THR A 76 -5.255 6.522 9.781 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.214 5.487 9.978 1.00 0.00 O ATOM 1236 CG2 THR A 76 -6.065 7.669 9.171 1.00 0.00 C ATOM 0 H THR A 76 -2.550 5.674 9.983 1.00 0.00 H new ATOM 0 HA THR A 76 -4.807 5.302 8.084 1.00 0.00 H new ATOM 0 HB THR A 76 -4.722 6.881 10.662 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.330 4.986 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.759 8.060 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.389 8.463 8.853 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.624 7.302 8.310 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.077 7.203 6.757 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.498 8.175 5.846 1.00 0.00 C ATOM 1246 C PHE A 77 -4.588 9.002 5.161 1.00 0.00 C ATOM 1247 O PHE A 77 -5.368 8.473 4.370 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.728 7.388 4.783 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.524 6.619 5.330 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.612 7.251 6.117 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.365 5.302 5.029 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.505 6.537 6.624 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.247 4.588 5.536 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.664 5.220 6.323 1.00 0.00 C ATOM 0 H PHE A 77 -4.912 6.734 6.406 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.851 8.859 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.408 6.684 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.386 8.078 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.738 8.297 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.089 4.799 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.229 7.039 7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.120 3.543 5.296 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.514 4.676 6.709 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.607 10.285 5.490 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.588 11.190 4.916 1.00 0.00 C ATOM 1266 C ILE A 78 -4.981 11.888 3.698 1.00 0.00 C ATOM 1267 O ILE A 78 -3.884 12.437 3.775 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.112 12.156 5.981 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.128 11.467 6.894 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.685 13.422 5.338 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.175 12.141 8.267 1.00 0.00 C ATOM 0 H ILE A 78 -3.959 10.719 6.147 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.458 10.636 4.565 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.274 12.463 6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.116 11.499 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.865 10.416 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.051 14.092 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.906 13.923 4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.507 13.153 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.905 11.633 8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.191 12.085 8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.462 13.186 8.150 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.722 11.843 2.600 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.271 12.464 1.367 1.00 0.00 C ATOM 1285 C TYR A 79 -6.305 13.464 0.846 1.00 0.00 C ATOM 1286 O TYR A 79 -7.392 13.075 0.421 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.122 11.328 0.352 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.987 10.353 0.673 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.698 10.821 0.827 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -4.253 9.006 0.807 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.630 9.903 1.129 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -3.185 8.088 1.109 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.926 8.582 1.255 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.918 7.715 1.539 1.00 0.00 O ATOM 0 H TYR A 79 -6.632 11.386 2.539 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.339 13.005 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.060 10.774 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.951 11.757 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.490 11.875 0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.262 8.640 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.617 10.256 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.379 7.031 1.217 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.295 6.860 1.834 1.00 0.00 H new ATOM 1304 N SER A 80 -5.930 14.734 0.896 1.00 0.00 N ATOM 1305 CA SER A 80 -6.812 15.793 0.434 1.00 0.00 C ATOM 1306 C SER A 80 -5.991 16.916 -0.205 1.00 0.00 C ATOM 1307 O SER A 80 -4.783 17.003 0.006 1.00 0.00 O ATOM 1308 CB SER A 80 -7.660 16.344 1.582 1.00 0.00 C ATOM 1309 OG SER A 80 -7.316 17.689 1.903 1.00 0.00 O ATOM 0 H SER A 80 -5.028 15.054 1.249 1.00 0.00 H new ATOM 0 HA SER A 80 -7.487 15.374 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.714 16.295 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.529 15.716 2.463 1.00 0.00 H new ATOM 0 HG SER A 80 -7.881 18.004 2.639 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.700 17.768 -0.993 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.129 17.593 -1.189 1.00 0.00 C ATOM 1317 C PRO A 81 -8.413 16.426 -2.137 1.00 0.00 C ATOM 1318 O PRO A 81 -7.692 16.223 -3.112 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.618 18.928 -1.727 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.384 19.645 -2.250 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.161 18.917 -1.715 1.00 0.00 C ATOM 0 HA PRO A 81 -8.652 17.334 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.351 18.784 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.105 19.510 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.379 19.650 -3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.381 20.686 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.502 18.603 -2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.575 19.558 -1.057 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.467 15.689 -1.816 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.855 14.547 -2.627 1.00 0.00 C ATOM 1331 C VAL A 82 -11.368 14.582 -2.856 1.00 0.00 C ATOM 1332 O VAL A 82 -12.145 14.324 -1.938 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.380 13.251 -1.967 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.128 12.042 -2.532 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.868 13.081 -2.120 1.00 0.00 C ATOM 0 H VAL A 82 -10.063 15.860 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.376 14.592 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.604 13.315 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.771 11.134 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.196 12.157 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.950 11.973 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.556 12.152 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.611 13.049 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.358 13.921 -1.648 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.740 14.902 -4.087 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.146 14.974 -4.449 1.00 0.00 C ATOM 1347 C HIS A 83 -13.575 13.659 -5.103 1.00 0.00 C ATOM 1348 O HIS A 83 -12.733 12.840 -5.470 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.418 16.192 -5.333 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.035 17.508 -4.699 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -13.883 18.602 -4.673 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -11.889 17.894 -4.068 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -13.264 19.596 -4.053 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -12.028 19.155 -3.679 1.00 0.00 N ATOM 0 H HIS A 83 -11.093 15.114 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.750 15.108 -3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.871 16.078 -6.269 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.478 16.216 -5.584 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.016 17.278 -3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.667 20.582 -3.875 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.327 19.704 -3.182 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.884 13.497 -5.228 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.435 12.296 -5.832 1.00 0.00 C ATOM 1364 C ARG A 84 -15.353 12.382 -7.357 1.00 0.00 C ATOM 1365 O ARG A 84 -15.388 11.362 -8.043 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.893 12.090 -5.417 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.275 10.609 -5.472 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.134 9.955 -4.096 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.723 8.598 -4.118 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.168 7.954 -3.030 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -18.092 8.540 -1.827 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -18.687 6.724 -3.145 1.00 0.00 N ATOM 0 H ARG A 84 -15.579 14.178 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.846 11.449 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.045 12.471 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.547 12.662 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.302 10.507 -5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.639 10.092 -6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.082 9.899 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.632 10.564 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 84 -17.795 8.123 -5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -17.696 9.476 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -18.431 8.050 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.743 6.278 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -19.026 6.234 -2.317 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.244 13.610 -7.843 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.157 13.843 -9.275 1.00 0.00 C ATOM 1388 C ARG A 85 -13.714 13.669 -9.754 1.00 0.00 C ATOM 1389 O ARG A 85 -13.451 13.668 -10.956 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.640 15.249 -9.634 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.627 16.307 -9.193 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.079 17.077 -10.396 1.00 0.00 C ATOM 1393 NE ARG A 85 -12.712 17.565 -10.105 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.437 18.572 -9.266 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -13.432 19.206 -8.630 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.166 18.947 -9.063 1.00 0.00 N ATOM 0 H ARG A 85 -15.214 14.454 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.798 13.113 -9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.799 15.319 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.601 15.440 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.100 17.001 -8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.806 15.829 -8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.064 16.432 -11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.732 17.918 -10.628 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.931 17.106 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.399 18.922 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.222 19.973 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.409 18.465 -9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.956 19.714 -8.424 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.817 13.527 -8.789 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.408 13.353 -9.098 1.00 0.00 C ATOM 1412 C GLU A 86 -11.059 11.864 -9.161 1.00 0.00 C ATOM 1413 O GLU A 86 -10.135 11.470 -9.870 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.530 14.079 -8.077 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.754 15.591 -8.139 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.499 16.312 -8.636 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -9.096 16.023 -9.783 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -8.972 17.136 -7.858 1.00 0.00 O ATOM 0 H GLU A 86 -13.039 13.529 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.212 13.794 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.755 13.715 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.481 13.855 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.591 15.811 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.024 15.963 -7.151 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.816 11.079 -8.409 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.598 9.643 -8.371 1.00 0.00 C ATOM 1427 C PHE A 87 -11.283 9.099 -9.765 1.00 0.00 C ATOM 1428 O PHE A 87 -10.261 8.444 -9.964 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.895 9.007 -7.869 1.00 0.00 C ATOM 1430 CG PHE A 87 -13.075 9.073 -6.351 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.265 9.871 -5.605 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -14.044 8.335 -5.747 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.431 9.934 -4.196 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -14.211 8.397 -4.338 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.401 9.195 -3.592 1.00 0.00 C ATOM 0 H PHE A 87 -12.581 11.410 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.754 9.412 -7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.740 9.504 -8.346 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.921 7.963 -8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.495 10.457 -6.084 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.687 7.701 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.788 10.568 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.981 7.811 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.528 9.242 -2.520 1.00 0.00 H new ATOM 1445 N ARG A 88 -12.180 9.390 -10.696 1.00 0.00 N ATOM 1446 CA ARG A 88 -12.011 8.938 -12.066 1.00 0.00 C ATOM 1447 C ARG A 88 -10.576 9.186 -12.534 1.00 0.00 C ATOM 1448 O ARG A 88 -9.904 8.269 -13.002 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.979 9.659 -13.007 1.00 0.00 C ATOM 1450 CG ARG A 88 -12.765 9.217 -14.456 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.925 9.671 -15.345 1.00 0.00 C ATOM 1452 NE ARG A 88 -13.466 9.813 -16.744 1.00 0.00 N ATOM 1453 CZ ARG A 88 -13.245 8.781 -17.571 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -13.440 7.526 -17.143 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -12.829 9.004 -18.825 1.00 0.00 N ATOM 0 H ARG A 88 -13.027 9.934 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.225 7.870 -12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.006 9.451 -12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.836 10.737 -12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.830 9.632 -14.832 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.672 8.132 -14.499 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.739 8.948 -15.292 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.319 10.621 -14.985 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.308 10.755 -17.102 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.756 7.356 -16.188 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.272 6.741 -17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.680 9.959 -19.151 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.661 8.219 -19.454 1.00 0.00 H new ATOM 1469 N GLU A 89 -10.148 10.432 -12.390 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.804 10.813 -12.792 1.00 0.00 C ATOM 1471 C GLU A 89 -7.842 10.692 -11.608 1.00 0.00 C ATOM 1472 O GLU A 89 -7.023 11.580 -11.377 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.786 12.229 -13.371 1.00 0.00 C ATOM 1474 CG GLU A 89 -8.899 12.198 -14.897 1.00 0.00 C ATOM 1475 CD GLU A 89 -7.720 12.925 -15.549 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -6.597 12.387 -15.449 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -7.970 14.002 -16.131 1.00 0.00 O ATOM 0 H GLU A 89 -10.708 11.190 -12.001 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.473 10.131 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.610 12.807 -12.953 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.864 12.733 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.929 11.165 -15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.834 12.665 -15.206 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.973 9.586 -10.891 1.00 0.00 N ATOM 1485 CA ARG A 90 -7.125 9.338 -9.737 1.00 0.00 C ATOM 1486 C ARG A 90 -7.087 7.842 -9.419 1.00 0.00 C ATOM 1487 O ARG A 90 -8.094 7.149 -9.552 1.00 0.00 O ATOM 1488 CB ARG A 90 -7.628 10.101 -8.510 1.00 0.00 C ATOM 1489 CG ARG A 90 -6.810 11.373 -8.281 1.00 0.00 C ATOM 1490 CD ARG A 90 -7.264 12.097 -7.012 1.00 0.00 C ATOM 1491 NE ARG A 90 -6.123 12.817 -6.404 1.00 0.00 N ATOM 1492 CZ ARG A 90 -6.249 13.885 -5.605 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -7.466 14.363 -5.312 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -5.157 14.474 -5.098 1.00 0.00 N ATOM 0 H ARG A 90 -8.653 8.852 -11.086 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.122 9.687 -9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.678 10.359 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.566 9.462 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.753 11.120 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.915 12.036 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.063 12.800 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.673 11.379 -6.300 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.182 12.479 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.297 13.914 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.562 15.176 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.231 14.109 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.252 15.287 -4.490 1.00 0.00 H new ATOM 1508 N MET A 91 -5.913 7.388 -9.005 1.00 0.00 N ATOM 1509 CA MET A 91 -5.730 5.986 -8.666 1.00 0.00 C ATOM 1510 C MET A 91 -4.611 5.812 -7.637 1.00 0.00 C ATOM 1511 O MET A 91 -3.558 6.438 -7.748 1.00 0.00 O ATOM 1512 CB MET A 91 -5.388 5.196 -9.931 1.00 0.00 C ATOM 1513 CG MET A 91 -4.320 4.139 -9.645 1.00 0.00 C ATOM 1514 SD MET A 91 -4.290 2.930 -10.958 1.00 0.00 S ATOM 1515 CE MET A 91 -4.845 1.488 -10.065 1.00 0.00 C ATOM 0 H MET A 91 -5.079 7.966 -8.897 1.00 0.00 H new ATOM 0 HA MET A 91 -6.658 5.612 -8.233 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.286 4.715 -10.318 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.033 5.877 -10.704 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.343 4.613 -9.554 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.527 3.649 -8.693 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.733 0.605 -10.694 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.248 1.368 -9.161 1.00 0.00 H new ATOM 0 HE3 MET A 91 -5.894 1.609 -9.794 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.877 4.959 -6.660 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.906 4.695 -5.612 1.00 0.00 C ATOM 1527 C LEU A 92 -3.049 3.491 -6.008 1.00 0.00 C ATOM 1528 O LEU A 92 -3.566 2.498 -6.517 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.606 4.533 -4.261 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.950 5.829 -3.524 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -5.989 5.578 -2.429 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.689 6.499 -2.974 1.00 0.00 C ATOM 0 H LEU A 92 -5.751 4.441 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.231 5.543 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.527 3.971 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.970 3.929 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.396 6.520 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.216 6.515 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.899 5.178 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.593 4.861 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.962 7.418 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.192 5.823 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.014 6.734 -3.797 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.754 3.620 -5.760 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.820 2.555 -6.085 1.00 0.00 C ATOM 1546 C GLU A 93 -0.084 2.093 -4.826 1.00 0.00 C ATOM 1547 O GLU A 93 0.867 2.738 -4.387 1.00 0.00 O ATOM 1548 CB GLU A 93 0.167 3.001 -7.165 1.00 0.00 C ATOM 1549 CG GLU A 93 1.198 1.908 -7.451 1.00 0.00 C ATOM 1550 CD GLU A 93 1.607 1.913 -8.925 1.00 0.00 C ATOM 1551 OE1 GLU A 93 0.763 2.331 -9.747 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.755 1.497 -9.197 1.00 0.00 O ATOM 0 H GLU A 93 -1.329 4.446 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.385 1.712 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.374 3.243 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.675 3.911 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.077 2.060 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.784 0.935 -7.188 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.551 0.979 -4.281 1.00 0.00 N ATOM 1560 CA ILE A 94 0.052 0.423 -3.081 1.00 0.00 C ATOM 1561 C ILE A 94 0.993 -0.719 -3.471 1.00 0.00 C ATOM 1562 O ILE A 94 0.661 -1.537 -4.327 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.029 0.014 -2.078 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.136 1.068 -2.006 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.421 -0.274 -0.704 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.125 0.905 -3.162 1.00 0.00 C ATOM 0 H ILE A 94 -1.340 0.446 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 94 0.656 1.176 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.487 -0.911 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.664 0.982 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.696 2.065 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.210 -0.562 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.302 -1.085 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.079 0.620 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.901 1.666 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.598 1.016 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.581 -0.084 -3.114 1.00 0.00 H new ATOM 1578 N THR A 95 2.149 -0.738 -2.823 1.00 0.00 N ATOM 1579 CA THR A 95 3.140 -1.766 -3.091 1.00 0.00 C ATOM 1580 C THR A 95 3.771 -2.251 -1.784 1.00 0.00 C ATOM 1581 O THR A 95 3.945 -1.473 -0.848 1.00 0.00 O ATOM 1582 CB THR A 95 4.156 -1.196 -4.082 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.232 0.187 -3.745 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.637 -1.200 -5.521 1.00 0.00 C ATOM 0 H THR A 95 2.421 -0.058 -2.113 1.00 0.00 H new ATOM 0 HA THR A 95 2.684 -2.647 -3.542 1.00 0.00 H new ATOM 0 HB THR A 95 5.079 -1.774 -4.027 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.743 0.664 -4.432 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.397 -0.785 -6.183 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.411 -2.223 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.732 -0.595 -5.583 1.00 0.00 H new ATOM 1592 N LEU A 96 4.098 -3.535 -1.764 1.00 0.00 N ATOM 1593 CA LEU A 96 4.706 -4.134 -0.588 1.00 0.00 C ATOM 1594 C LEU A 96 6.121 -4.603 -0.934 1.00 0.00 C ATOM 1595 O LEU A 96 6.326 -5.277 -1.942 1.00 0.00 O ATOM 1596 CB LEU A 96 3.811 -5.240 -0.026 1.00 0.00 C ATOM 1597 CG LEU A 96 4.160 -5.736 1.379 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.060 -4.602 2.401 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.294 -6.936 1.768 1.00 0.00 C ATOM 0 H LEU A 96 3.953 -4.177 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 96 4.800 -3.397 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.783 -4.879 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.845 -6.089 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 96 5.196 -6.075 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.313 -4.981 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.753 -3.805 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.043 -4.210 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.562 -7.269 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.243 -6.647 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.459 -7.748 1.060 1.00 0.00 H new ATOM 1611 N TRP A 97 7.060 -4.228 -0.078 1.00 0.00 N ATOM 1612 CA TRP A 97 8.449 -4.603 -0.280 1.00 0.00 C ATOM 1613 C TRP A 97 9.049 -4.952 1.084 1.00 0.00 C ATOM 1614 O TRP A 97 8.391 -4.798 2.112 1.00 0.00 O ATOM 1615 CB TRP A 97 9.216 -3.494 -1.004 1.00 0.00 C ATOM 1616 CG TRP A 97 8.327 -2.554 -1.821 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.279 -1.835 -1.397 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.453 -2.258 -3.228 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.722 -1.100 -2.424 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.458 -1.366 -3.572 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.376 -2.729 -4.178 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.291 -0.867 -4.870 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.196 -2.221 -5.470 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.200 -1.322 -5.833 1.00 0.00 C ATOM 0 H TRP A 97 6.886 -3.668 0.757 1.00 0.00 H new ATOM 0 HA TRP A 97 8.522 -5.478 -0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.768 -2.908 -0.269 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.952 -3.949 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.916 -1.831 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.918 -0.476 -2.353 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.162 -3.427 -3.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.504 -0.169 -5.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.879 -2.551 -6.239 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.128 -0.976 -6.853 1.00 0.00 H new ATOM 1635 N ASP A 98 10.290 -5.414 1.048 1.00 0.00 N ATOM 1636 CA ASP A 98 10.985 -5.786 2.269 1.00 0.00 C ATOM 1637 C ASP A 98 12.282 -4.981 2.377 1.00 0.00 C ATOM 1638 O ASP A 98 13.296 -5.349 1.785 1.00 0.00 O ATOM 1639 CB ASP A 98 11.349 -7.272 2.264 1.00 0.00 C ATOM 1640 CG ASP A 98 12.616 -7.629 3.045 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.879 -6.933 4.049 1.00 0.00 O ATOM 1642 OD2 ASP A 98 13.292 -8.591 2.620 1.00 0.00 O ATOM 0 H ASP A 98 10.832 -5.539 0.193 1.00 0.00 H new ATOM 0 HA ASP A 98 10.324 -5.580 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.514 -7.837 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.473 -7.597 1.231 1.00 0.00 H new ATOM 1647 N GLN A 99 12.207 -3.899 3.138 1.00 0.00 N ATOM 1648 CA GLN A 99 13.363 -3.039 3.331 1.00 0.00 C ATOM 1649 C GLN A 99 14.632 -3.881 3.479 1.00 0.00 C ATOM 1650 O GLN A 99 14.812 -4.567 4.485 1.00 0.00 O ATOM 1651 CB GLN A 99 13.168 -2.123 4.541 1.00 0.00 C ATOM 1652 CG GLN A 99 13.608 -0.693 4.222 1.00 0.00 C ATOM 1653 CD GLN A 99 14.067 0.035 5.487 1.00 0.00 C ATOM 1654 OE1 GLN A 99 14.869 -0.459 6.262 1.00 0.00 O ATOM 1655 NE2 GLN A 99 13.515 1.234 5.652 1.00 0.00 N ATOM 0 H GLN A 99 11.365 -3.598 3.628 1.00 0.00 H new ATOM 0 HA GLN A 99 13.472 -2.405 2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.120 -2.127 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.741 -2.504 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.420 -0.712 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.782 -0.148 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.850 1.588 4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.757 1.799 6.466 1.00 0.00 H new ATOM 1809 N PHE A 109 10.790 -5.949 -3.543 1.00 0.00 N ATOM 1810 CA PHE A 109 9.407 -5.891 -3.985 1.00 0.00 C ATOM 1811 C PHE A 109 8.712 -7.239 -3.788 1.00 0.00 C ATOM 1812 O PHE A 109 9.099 -8.236 -4.395 1.00 0.00 O ATOM 1813 CB PHE A 109 9.428 -5.555 -5.477 1.00 0.00 C ATOM 1814 CG PHE A 109 8.043 -5.511 -6.125 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.167 -4.526 -5.791 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.687 -6.458 -7.034 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.881 -4.486 -6.392 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.401 -6.418 -7.636 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.525 -5.433 -7.302 1.00 0.00 C ATOM 0 HA PHE A 109 8.863 -5.144 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.913 -4.588 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 109 10.038 -6.294 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.449 -3.774 -5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.382 -7.241 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.185 -3.704 -6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.119 -7.170 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.547 -5.402 -7.759 1.00 0.00 H new ATOM 1829 N LEU A 110 7.696 -7.227 -2.937 1.00 0.00 N ATOM 1830 CA LEU A 110 6.943 -8.436 -2.652 1.00 0.00 C ATOM 1831 C LEU A 110 5.745 -8.520 -3.600 1.00 0.00 C ATOM 1832 O LEU A 110 5.315 -9.613 -3.967 1.00 0.00 O ATOM 1833 CB LEU A 110 6.561 -8.493 -1.172 1.00 0.00 C ATOM 1834 CG LEU A 110 7.695 -8.824 -0.199 1.00 0.00 C ATOM 1835 CD1 LEU A 110 7.175 -8.919 1.237 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.432 -10.094 -0.627 1.00 0.00 C ATOM 0 H LEU A 110 7.377 -6.398 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 110 7.556 -9.319 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.136 -7.530 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.774 -9.237 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 110 8.417 -8.008 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.001 -9.155 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.732 -7.966 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.421 -9.703 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.233 -10.306 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.734 -10.931 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.856 -9.951 -1.621 1.00 0.00 H new ATOM 1848 N GLY A 111 5.240 -7.352 -3.969 1.00 0.00 N ATOM 1849 CA GLY A 111 4.100 -7.281 -4.868 1.00 0.00 C ATOM 1850 C GLY A 111 3.557 -5.853 -4.951 1.00 0.00 C ATOM 1851 O GLY A 111 4.076 -4.948 -4.299 1.00 0.00 O ATOM 0 H GLY A 111 5.599 -6.448 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.394 -7.621 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.315 -7.953 -4.520 1.00 0.00 H new ATOM 1855 N GLU A 112 2.519 -5.695 -5.759 1.00 0.00 N ATOM 1856 CA GLU A 112 1.900 -4.392 -5.937 1.00 0.00 C ATOM 1857 C GLU A 112 0.377 -4.531 -5.991 1.00 0.00 C ATOM 1858 O GLU A 112 -0.141 -5.509 -6.528 1.00 0.00 O ATOM 1859 CB GLU A 112 2.433 -3.698 -7.192 1.00 0.00 C ATOM 1860 CG GLU A 112 1.841 -4.323 -8.457 1.00 0.00 C ATOM 1861 CD GLU A 112 2.829 -4.241 -9.622 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.235 -3.103 -9.943 1.00 0.00 O ATOM 1863 OE2 GLU A 112 3.155 -5.318 -10.167 1.00 0.00 O ATOM 0 H GLU A 112 2.091 -6.448 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 112 2.158 -3.769 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.187 -2.637 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.520 -3.773 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.584 -5.365 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.917 -3.810 -8.722 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.296 -3.539 -5.428 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.749 -3.538 -5.406 1.00 0.00 C ATOM 1872 C ILE A 113 -2.263 -2.221 -5.990 1.00 0.00 C ATOM 1873 O ILE A 113 -2.175 -1.176 -5.347 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.264 -3.827 -3.995 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.688 -5.140 -3.459 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.793 -3.815 -3.956 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.357 -5.536 -2.142 1.00 0.00 C ATOM 0 H ILE A 113 0.138 -2.730 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.139 -4.339 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.919 -3.030 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.830 -5.931 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.614 -5.035 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.133 -4.023 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.157 -2.836 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.180 -4.577 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.929 -6.472 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.192 -4.754 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.428 -5.664 -2.302 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.789 -2.313 -7.203 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.317 -1.141 -7.881 1.00 0.00 C ATOM 1891 C LEU A 114 -4.821 -1.040 -7.618 1.00 0.00 C ATOM 1892 O LEU A 114 -5.545 -2.026 -7.749 1.00 0.00 O ATOM 1893 CB LEU A 114 -2.953 -1.172 -9.367 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.572 -0.622 -9.730 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -1.693 0.639 -10.588 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.729 -0.384 -8.476 1.00 0.00 C ATOM 0 H LEU A 114 -2.861 -3.181 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.862 -0.234 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.014 -2.203 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.704 -0.605 -9.917 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.053 -1.370 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.698 1.010 -10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.228 0.403 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.240 1.404 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.247 0.007 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.232 0.335 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.600 -1.324 -7.940 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.246 0.160 -7.254 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.651 0.403 -6.972 1.00 0.00 C ATOM 1910 C ILE A 115 -7.063 1.748 -7.574 1.00 0.00 C ATOM 1911 O ILE A 115 -6.246 2.661 -7.678 1.00 0.00 O ATOM 1912 CB ILE A 115 -6.923 0.292 -5.470 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.955 -1.171 -5.025 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.205 1.036 -5.089 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.194 -1.361 -3.711 1.00 0.00 C ATOM 0 H ILE A 115 -4.642 0.975 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.271 -0.360 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.102 0.772 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.988 -1.495 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.515 -1.800 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.375 0.942 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.105 2.090 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.049 0.607 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.232 -2.410 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.155 -1.059 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.652 -0.749 -2.934 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.329 1.826 -7.955 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.859 3.044 -8.544 1.00 0.00 C ATOM 1929 C GLU A 116 -9.923 3.656 -7.631 1.00 0.00 C ATOM 1930 O GLU A 116 -10.715 2.937 -7.025 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.424 2.776 -9.941 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.358 2.175 -10.858 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.552 2.638 -12.303 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -8.203 3.807 -12.576 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -9.046 1.813 -13.102 1.00 0.00 O ATOM 0 H GLU A 116 -9.003 1.066 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.043 3.759 -8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.273 2.096 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.796 3.706 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.367 2.466 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.405 1.087 -10.812 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.906 4.979 -7.560 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.859 5.697 -6.731 1.00 0.00 C ATOM 1944 C LEU A 117 -12.193 5.806 -7.472 1.00 0.00 C ATOM 1945 O LEU A 117 -13.208 6.169 -6.880 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.283 7.047 -6.298 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.946 6.999 -5.555 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -7.847 6.410 -6.442 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.569 8.380 -5.016 1.00 0.00 C ATOM 0 H LEU A 117 -9.247 5.573 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 117 -11.051 5.148 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.161 7.669 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.013 7.543 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.056 6.337 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.907 6.387 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.120 5.396 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.729 7.026 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.615 8.318 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.483 9.083 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.340 8.724 -4.326 1.00 0.00 H new ATOM 1961 N GLU A 118 -12.147 5.486 -8.757 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.340 5.544 -9.585 1.00 0.00 C ATOM 1963 C GLU A 118 -14.335 4.463 -9.158 1.00 0.00 C ATOM 1964 O GLU A 118 -15.546 4.654 -9.261 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.985 5.408 -11.067 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.163 5.818 -11.953 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.755 5.852 -13.427 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -12.852 5.065 -13.784 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.355 6.665 -14.163 1.00 0.00 O ATOM 0 H GLU A 118 -11.303 5.186 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.809 6.518 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.120 6.030 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.703 4.378 -11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.987 5.117 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.526 6.800 -11.650 1.00 0.00 H new ATOM 1976 N THR A 119 -13.788 3.352 -8.689 1.00 0.00 N ATOM 1977 CA THR A 119 -14.613 2.241 -8.246 1.00 0.00 C ATOM 1978 C THR A 119 -14.246 1.841 -6.816 1.00 0.00 C ATOM 1979 O THR A 119 -14.849 0.932 -6.247 1.00 0.00 O ATOM 1980 CB THR A 119 -14.454 1.102 -9.255 1.00 0.00 C ATOM 1981 OG1 THR A 119 -13.063 0.793 -9.213 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.691 1.559 -10.696 1.00 0.00 C ATOM 0 H THR A 119 -12.783 3.197 -8.606 1.00 0.00 H new ATOM 0 HA THR A 119 -15.666 2.520 -8.212 1.00 0.00 H new ATOM 0 HB THR A 119 -15.150 0.300 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.871 0.062 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.566 0.713 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.703 1.953 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.973 2.338 -10.953 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.258 2.539 -6.275 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.804 2.268 -4.921 1.00 0.00 C ATOM 1992 C ALA A 120 -14.017 2.058 -4.013 1.00 0.00 C ATOM 1993 O ALA A 120 -14.983 2.817 -4.076 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.910 3.414 -4.444 1.00 0.00 C ATOM 0 H ALA A 120 -12.759 3.292 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.209 1.355 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.569 3.211 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.048 3.502 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.475 4.346 -4.458 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.927 1.024 -3.190 1.00 0.00 N ATOM 2001 CA LEU A 121 -15.006 0.704 -2.270 1.00 0.00 C ATOM 2002 C LEU A 121 -14.703 1.319 -0.902 1.00 0.00 C ATOM 2003 O LEU A 121 -14.119 0.666 -0.039 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.242 -0.807 -2.226 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.042 -1.684 -2.589 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -12.889 -1.471 -1.607 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.448 -3.156 -2.686 1.00 0.00 C ATOM 0 H LEU A 121 -13.124 0.397 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.943 1.140 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.572 -1.074 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.061 -1.047 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.685 -1.383 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.049 -2.106 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.578 -0.427 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.217 -1.728 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.577 -3.757 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -14.846 -3.488 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.211 -3.273 -3.455 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.113 2.570 -0.748 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.893 3.281 0.500 1.00 0.00 C ATOM 2021 C LEU A 122 -16.071 3.025 1.443 1.00 0.00 C ATOM 2022 O LEU A 122 -17.195 3.439 1.164 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.630 4.764 0.233 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.501 5.078 -0.751 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.812 6.341 -1.557 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.156 5.176 -0.029 1.00 0.00 C ATOM 0 H LEU A 122 -15.596 3.109 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.998 2.907 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.549 5.214 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.403 5.249 1.182 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.427 4.253 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.994 6.542 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.735 6.196 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.929 7.186 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.371 5.400 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.200 5.970 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.937 4.228 0.463 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.773 2.344 2.539 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.794 2.028 3.524 1.00 0.00 C ATOM 2040 C ASP A 123 -16.126 1.467 4.782 1.00 0.00 C ATOM 2041 O ASP A 123 -16.676 0.584 5.439 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.764 0.972 2.993 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.161 1.005 3.616 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.543 2.095 4.095 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.815 -0.060 3.601 1.00 0.00 O ATOM 0 H ASP A 123 -14.840 2.002 2.767 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.344 2.943 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.861 1.099 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.331 -0.014 3.161 1.00 0.00 H new ATOM 2050 N ASP A 124 -14.951 2.001 5.078 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.203 1.565 6.245 1.00 0.00 C ATOM 2052 C ASP A 124 -14.304 0.043 6.370 1.00 0.00 C ATOM 2053 O ASP A 124 -14.365 -0.490 7.477 1.00 0.00 O ATOM 2054 CB ASP A 124 -14.768 2.183 7.525 1.00 0.00 C ATOM 2055 CG ASP A 124 -13.776 2.290 8.685 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -12.585 2.531 8.392 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.232 2.128 9.837 1.00 0.00 O ATOM 0 H ASP A 124 -14.498 2.732 4.530 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.168 1.881 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.143 3.180 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.622 1.589 7.851 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.319 -0.614 5.219 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.412 -2.063 5.186 1.00 0.00 C ATOM 2064 C GLU A 125 -13.064 -2.673 4.796 1.00 0.00 C ATOM 2065 O GLU A 125 -12.542 -2.394 3.717 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.518 -2.520 4.232 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.872 -2.562 4.942 1.00 0.00 C ATOM 2068 CD GLU A 125 -18.022 -2.511 3.934 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.718 -2.585 2.723 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -19.178 -2.399 4.396 1.00 0.00 O ATOM 0 H GLU A 125 -14.268 -0.169 4.303 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.672 -2.414 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.571 -1.842 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.279 -3.508 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.946 -3.472 5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.951 -1.722 5.632 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.525 -3.514 5.718 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.248 -4.166 5.481 1.00 0.00 C ATOM 2079 C PRO A 126 -11.394 -5.307 4.473 1.00 0.00 C ATOM 2080 O PRO A 126 -12.185 -6.226 4.680 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.787 -4.637 6.850 1.00 0.00 C ATOM 2082 CG PRO A 126 -12.028 -4.647 7.728 1.00 0.00 C ATOM 2083 CD PRO A 126 -13.115 -3.867 7.006 1.00 0.00 C ATOM 0 HA PRO A 126 -10.511 -3.498 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.342 -5.630 6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.026 -3.970 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.354 -5.670 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.814 -4.196 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -14.015 -4.468 6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.403 -2.978 7.567 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.618 -5.212 3.403 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.650 -6.226 2.362 1.00 0.00 C ATOM 2093 C HIS A 127 -9.236 -6.756 2.118 1.00 0.00 C ATOM 2094 O HIS A 127 -8.270 -5.995 2.148 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.307 -5.680 1.093 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.613 -4.963 1.336 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.826 -5.625 1.425 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -12.884 -3.638 1.510 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.777 -4.728 1.641 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.191 -3.497 1.693 1.00 0.00 N ATOM 0 H HIS A 127 -9.963 -4.448 3.234 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.264 -7.067 2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -10.614 -4.995 0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -11.481 -6.505 0.402 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -13.964 -6.632 1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -12.158 -2.839 1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.831 -4.935 1.756 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.159 -8.057 1.880 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.879 -8.698 1.630 1.00 0.00 C ATOM 2110 C TRP A 128 -7.579 -8.587 0.134 1.00 0.00 C ATOM 2111 O TRP A 128 -8.175 -9.295 -0.676 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.881 -10.142 2.135 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.685 -10.273 3.646 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.614 -10.518 4.581 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.438 -10.157 4.365 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.060 -10.567 5.844 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.695 -10.341 5.708 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.137 -9.905 3.895 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.700 -10.292 6.692 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.155 -9.860 4.891 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.396 -10.043 6.247 1.00 0.00 C ATOM 0 H TRP A 128 -9.962 -8.685 1.855 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.083 -8.199 2.182 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.826 -10.611 1.860 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.091 -10.695 1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.664 -10.659 4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.560 -10.738 6.717 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -4.913 -9.758 2.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -5.926 -10.438 7.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.137 -9.669 4.584 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.581 -9.993 6.954 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.655 -7.694 -0.188 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.269 -7.482 -1.572 1.00 0.00 C ATOM 2134 C TYR A 129 -5.105 -8.394 -1.963 1.00 0.00 C ATOM 2135 O TYR A 129 -4.064 -8.392 -1.308 1.00 0.00 O ATOM 2136 CB TYR A 129 -5.812 -6.024 -1.664 1.00 0.00 C ATOM 2137 CG TYR A 129 -6.944 -5.006 -1.509 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.018 -5.031 -2.377 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -6.892 -4.064 -0.502 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.083 -4.073 -2.231 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -7.957 -3.106 -0.357 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.000 -3.158 -1.228 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.006 -2.253 -1.090 1.00 0.00 O ATOM 0 H TYR A 129 -6.162 -7.109 0.486 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.101 -7.703 -2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.063 -5.839 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.325 -5.867 -2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.059 -5.769 -3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.053 -4.045 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -9.929 -4.081 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.928 -2.363 0.426 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.813 -1.663 -0.332 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.320 -9.152 -3.028 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.302 -10.067 -3.513 1.00 0.00 C ATOM 2155 C LYS A 130 -3.170 -9.267 -4.161 1.00 0.00 C ATOM 2156 O LYS A 130 -3.413 -8.241 -4.793 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.921 -11.116 -4.439 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.018 -12.475 -3.742 1.00 0.00 C ATOM 2159 CD LYS A 130 -5.718 -13.501 -4.636 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.802 -14.253 -3.862 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.267 -15.429 -4.631 1.00 0.00 N ATOM 0 H LYS A 130 -6.185 -9.151 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.866 -10.625 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.914 -10.791 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.319 -11.209 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.019 -12.830 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.566 -12.369 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.162 -12.998 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -4.986 -14.209 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.411 -14.574 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.642 -13.587 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.003 -15.928 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.659 -15.115 -5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.467 -16.071 -4.801 1.00 0.00 H new ATOM 2175 N LEU A 131 -1.956 -9.768 -3.980 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.786 -9.112 -4.539 1.00 0.00 C ATOM 2177 C LEU A 131 -0.376 -9.823 -5.830 1.00 0.00 C ATOM 2178 O LEU A 131 -0.463 -11.046 -5.924 1.00 0.00 O ATOM 2179 CB LEU A 131 0.333 -9.035 -3.498 1.00 0.00 C ATOM 2180 CG LEU A 131 0.093 -8.083 -2.324 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.269 -8.806 -0.987 1.00 0.00 C ATOM 2182 CD2 LEU A 131 0.988 -6.847 -2.429 1.00 0.00 C ATOM 0 H LEU A 131 -1.758 -10.620 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.017 -8.080 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.501 -10.036 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.251 -8.734 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.940 -7.738 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.093 -8.107 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.444 -9.628 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.283 -9.199 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.798 -6.187 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.034 -7.154 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.771 -6.318 -3.357 1.00 0.00 H new ATOM 2194 N GLN A 132 0.060 -9.025 -6.794 1.00 0.00 N ATOM 2195 CA GLN A 132 0.483 -9.563 -8.076 1.00 0.00 C ATOM 2196 C GLN A 132 1.987 -9.354 -8.269 1.00 0.00 C ATOM 2197 O GLN A 132 2.470 -8.224 -8.231 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.309 -8.933 -9.223 1.00 0.00 C ATOM 2199 CG GLN A 132 0.014 -7.444 -9.360 1.00 0.00 C ATOM 2200 CD GLN A 132 -0.911 -6.773 -10.378 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -0.696 -6.824 -11.578 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -1.948 -6.145 -9.834 1.00 0.00 N ATOM 0 H GLN A 132 0.129 -8.011 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 132 0.280 -10.634 -8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.076 -9.447 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.377 -9.062 -9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.090 -6.955 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.052 -7.320 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.068 -6.142 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.624 -5.666 -10.429 1.00 0.00 H new