USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -30:sc= -0.543 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 46 CYS SG : rot 42:sc= -2.8 USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.0945 (180deg=-0.489) USER MOD Single : A 50 ASN : amide:sc= -0.695 K(o=-0.7,f=-10!) USER MOD Single : A 53 MET CE :methyl 156:sc= -0.0548 (180deg=-1.06) USER MOD Single : A 56 SER OG : rot 142:sc= -0.158 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 140:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.7) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -1.46 USER MOD Single : A 72 ASN : amide:sc= -0.0439 K(o=-0.044,f=-1.7!) USER MOD Single : A 73 ASN : amide:sc= 0.726 K(o=0.73,f=-7!) USER MOD Single : A 75 ASN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.0847 (180deg=-0.407) USER MOD Single : A 81 CYS SG : rot -57:sc= -5.46! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 92:sc= 0.0169 USER MOD Single : A 99 ASN : amide:sc= -0.0682 K(o=-0.068,f=-0.59) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.195) USER MOD Single : A 105 SER OG : rot -49:sc= 0.952 USER MOD Single : A 106 THR OG1 : rot 74:sc= -0.469 USER MOD Single : A 111 ASN : amide:sc= 1 K(o=1,f=-0.52) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -71:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.242 -1.920 -5.691 1.00 0.00 N ATOM 60 CA GLY A 7 -11.128 -2.291 -4.838 1.00 0.00 C ATOM 61 C GLY A 7 -10.474 -1.091 -4.183 1.00 0.00 C ATOM 62 O GLY A 7 -10.038 -1.164 -3.035 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.478 -2.976 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.386 -2.828 -5.428 1.00 0.00 H new ATOM 66 N GLU A 8 -10.405 0.016 -4.916 1.00 0.00 N ATOM 67 CA GLU A 8 -9.796 1.236 -4.399 1.00 0.00 C ATOM 68 C GLU A 8 -10.239 1.499 -2.962 1.00 0.00 C ATOM 69 O GLU A 8 -9.412 1.639 -2.063 1.00 0.00 O ATOM 70 CB GLU A 8 -10.163 2.430 -5.283 1.00 0.00 C ATOM 71 CG GLU A 8 -9.611 2.333 -6.696 1.00 0.00 C ATOM 72 CD GLU A 8 -10.480 3.047 -7.712 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.524 2.483 -8.101 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.116 4.170 -8.119 1.00 0.00 O ATOM 0 H GLU A 8 -10.763 0.093 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.714 1.104 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.249 2.516 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.791 3.343 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.607 2.757 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.520 1.283 -6.975 1.00 0.00 H new ATOM 81 N GLU A 9 -11.551 1.565 -2.757 1.00 0.00 N ATOM 82 CA GLU A 9 -12.104 1.813 -1.431 1.00 0.00 C ATOM 83 C GLU A 9 -11.634 0.753 -0.438 1.00 0.00 C ATOM 84 O GLU A 9 -11.152 1.076 0.647 1.00 0.00 O ATOM 85 CB GLU A 9 -13.633 1.831 -1.487 1.00 0.00 C ATOM 86 CG GLU A 9 -14.279 2.499 -0.284 1.00 0.00 C ATOM 87 CD GLU A 9 -14.218 4.012 -0.354 1.00 0.00 C ATOM 88 OE1 GLU A 9 -14.243 4.556 -1.478 1.00 0.00 O ATOM 89 OE2 GLU A 9 -14.145 4.653 0.715 1.00 0.00 O ATOM 0 H GLU A 9 -12.250 1.450 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.748 2.786 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.949 2.349 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.997 0.806 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.320 2.184 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.782 2.161 0.625 1.00 0.00 H new ATOM 96 N GLN A 10 -11.778 -0.512 -0.820 1.00 0.00 N ATOM 97 CA GLN A 10 -11.368 -1.619 0.036 1.00 0.00 C ATOM 98 C GLN A 10 -9.995 -1.357 0.645 1.00 0.00 C ATOM 99 O GLN A 10 -9.824 -1.412 1.863 1.00 0.00 O ATOM 100 CB GLN A 10 -11.347 -2.925 -0.759 1.00 0.00 C ATOM 101 CG GLN A 10 -12.705 -3.600 -0.857 1.00 0.00 C ATOM 102 CD GLN A 10 -12.600 -5.085 -1.145 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.463 -5.898 -0.231 1.00 0.00 O ATOM 104 NE2 GLN A 10 -12.663 -5.446 -2.422 1.00 0.00 N ATOM 0 H GLN A 10 -12.175 -0.796 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.092 -1.707 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.978 -2.723 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.642 -3.613 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.248 -3.452 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.288 -3.122 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.777 -4.738 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.597 -6.431 -2.677 1.00 0.00 H new ATOM 113 N ILE A 11 -9.018 -1.073 -0.211 1.00 0.00 N ATOM 114 CA ILE A 11 -7.660 -0.803 0.244 1.00 0.00 C ATOM 115 C ILE A 11 -7.622 0.404 1.175 1.00 0.00 C ATOM 116 O ILE A 11 -7.137 0.316 2.303 1.00 0.00 O ATOM 117 CB ILE A 11 -6.709 -0.552 -0.942 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.723 -1.749 -1.896 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.298 -0.283 -0.441 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.091 -2.993 -1.313 1.00 0.00 C ATOM 0 H ILE A 11 -9.142 -1.024 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.327 -1.688 0.786 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.054 0.327 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.754 -1.971 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.198 -1.479 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.638 -0.108 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.302 0.596 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.942 -1.145 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.136 -3.801 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.050 -2.789 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.630 -3.288 -0.413 1.00 0.00 H new ATOM 132 N VAL A 12 -8.139 1.531 0.696 1.00 0.00 N ATOM 133 CA VAL A 12 -8.167 2.756 1.486 1.00 0.00 C ATOM 134 C VAL A 12 -8.640 2.481 2.909 1.00 0.00 C ATOM 135 O VAL A 12 -7.965 2.829 3.879 1.00 0.00 O ATOM 136 CB VAL A 12 -9.085 3.815 0.848 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.126 5.072 1.703 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.624 4.137 -0.566 1.00 0.00 C ATOM 0 H VAL A 12 -8.544 1.621 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.147 3.139 1.512 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.095 3.409 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.780 5.809 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.507 4.826 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.121 5.484 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.284 4.887 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.605 4.523 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.652 3.232 -1.173 1.00 0.00 H new ATOM 148 N THR A 13 -9.806 1.853 3.029 1.00 0.00 N ATOM 149 CA THR A 13 -10.370 1.531 4.333 1.00 0.00 C ATOM 150 C THR A 13 -9.542 0.465 5.043 1.00 0.00 C ATOM 151 O THR A 13 -9.392 0.494 6.264 1.00 0.00 O ATOM 152 CB THR A 13 -11.824 1.037 4.210 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.631 2.042 3.587 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.397 0.695 5.577 1.00 0.00 C ATOM 0 H THR A 13 -10.378 1.557 2.238 1.00 0.00 H new ATOM 0 HA THR A 13 -10.354 2.450 4.919 1.00 0.00 H new ATOM 0 HB THR A 13 -11.828 0.136 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.553 1.720 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.424 0.349 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.797 -0.091 6.037 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.380 1.582 6.211 1.00 0.00 H new ATOM 162 N TRP A 14 -9.007 -0.473 4.270 1.00 0.00 N ATOM 163 CA TRP A 14 -8.193 -1.548 4.826 1.00 0.00 C ATOM 164 C TRP A 14 -6.972 -0.989 5.548 1.00 0.00 C ATOM 165 O TRP A 14 -6.860 -1.093 6.771 1.00 0.00 O ATOM 166 CB TRP A 14 -7.752 -2.506 3.719 1.00 0.00 C ATOM 167 CG TRP A 14 -6.853 -3.602 4.205 1.00 0.00 C ATOM 168 CD1 TRP A 14 -6.974 -4.305 5.370 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.694 -4.119 3.541 1.00 0.00 C ATOM 170 NE1 TRP A 14 -5.960 -5.228 5.469 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.162 -5.134 4.360 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.056 -3.824 2.333 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -4.023 -5.852 4.008 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.925 -4.537 1.986 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.418 -5.543 2.821 1.00 0.00 C ATOM 0 H TRP A 14 -9.122 -0.511 3.257 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.800 -2.094 5.548 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.635 -2.948 3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.236 -1.940 2.943 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.752 -4.157 6.105 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.824 -5.878 6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.440 -3.052 1.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.630 -6.627 4.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.423 -4.316 1.056 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.533 -6.084 2.521 1.00 0.00 H new ATOM 186 N LEU A 15 -6.060 -0.396 4.786 1.00 0.00 N ATOM 187 CA LEU A 15 -4.846 0.180 5.354 1.00 0.00 C ATOM 188 C LEU A 15 -5.145 0.891 6.670 1.00 0.00 C ATOM 189 O LEU A 15 -4.599 0.538 7.716 1.00 0.00 O ATOM 190 CB LEU A 15 -4.212 1.160 4.365 1.00 0.00 C ATOM 191 CG LEU A 15 -3.722 0.560 3.047 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.577 1.642 1.989 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.401 -0.169 3.252 1.00 0.00 C ATOM 0 H LEU A 15 -6.138 -0.301 3.773 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.146 -0.632 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.940 1.938 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.369 1.646 4.856 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.462 -0.161 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.227 1.196 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.542 2.120 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.857 2.387 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.067 -0.590 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.652 0.532 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.537 -0.971 3.977 1.00 0.00 H new ATOM 205 N ILE A 16 -6.017 1.892 6.612 1.00 0.00 N ATOM 206 CA ILE A 16 -6.391 2.650 7.799 1.00 0.00 C ATOM 207 C ILE A 16 -6.807 1.721 8.935 1.00 0.00 C ATOM 208 O ILE A 16 -6.243 1.768 10.028 1.00 0.00 O ATOM 209 CB ILE A 16 -7.542 3.629 7.503 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.134 4.613 6.405 1.00 0.00 C ATOM 211 CG2 ILE A 16 -7.942 4.374 8.768 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.281 5.454 5.890 1.00 0.00 C ATOM 0 H ILE A 16 -6.478 2.197 5.755 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.511 3.218 8.101 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.403 3.060 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.355 5.272 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.700 4.058 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.757 5.062 8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.269 3.659 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.087 4.935 9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.918 6.128 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.051 4.804 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.701 6.037 6.710 1.00 0.00 H new ATOM 224 N SER A 17 -7.798 0.876 8.668 1.00 0.00 N ATOM 225 CA SER A 17 -8.292 -0.063 9.668 1.00 0.00 C ATOM 226 C SER A 17 -7.139 -0.658 10.471 1.00 0.00 C ATOM 227 O SER A 17 -7.218 -0.782 11.694 1.00 0.00 O ATOM 228 CB SER A 17 -9.091 -1.182 8.997 1.00 0.00 C ATOM 229 OG SER A 17 -9.696 -2.025 9.961 1.00 0.00 O ATOM 0 H SER A 17 -8.274 0.823 7.768 1.00 0.00 H new ATOM 0 HA SER A 17 -8.945 0.481 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.858 -0.750 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.433 -1.770 8.357 1.00 0.00 H new ATOM 0 HG SER A 17 -10.202 -2.731 9.507 1.00 0.00 H new ATOM 235 N LEU A 18 -6.068 -1.023 9.776 1.00 0.00 N ATOM 236 CA LEU A 18 -4.897 -1.605 10.423 1.00 0.00 C ATOM 237 C LEU A 18 -4.204 -0.582 11.317 1.00 0.00 C ATOM 238 O LEU A 18 -3.890 -0.863 12.472 1.00 0.00 O ATOM 239 CB LEU A 18 -3.917 -2.128 9.372 1.00 0.00 C ATOM 240 CG LEU A 18 -4.325 -3.416 8.655 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.523 -3.591 7.374 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.140 -4.617 9.570 1.00 0.00 C ATOM 0 H LEU A 18 -5.986 -0.926 8.764 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.231 -2.436 11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.770 -1.350 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.953 -2.294 9.854 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.380 -3.344 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.827 -4.513 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.706 -2.745 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.461 -3.641 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.435 -5.525 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.093 -4.692 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.759 -4.496 10.459 1.00 0.00 H new ATOM 254 N GLY A 19 -3.971 0.609 10.773 1.00 0.00 N ATOM 255 CA GLY A 19 -3.319 1.658 11.536 1.00 0.00 C ATOM 256 C GLY A 19 -2.082 2.195 10.844 1.00 0.00 C ATOM 257 O GLY A 19 -1.104 2.559 11.497 1.00 0.00 O ATOM 0 H GLY A 19 -4.222 0.866 9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.023 2.474 11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.044 1.272 12.517 1.00 0.00 H new ATOM 261 N VAL A 20 -2.123 2.244 9.516 1.00 0.00 N ATOM 262 CA VAL A 20 -0.997 2.739 8.734 1.00 0.00 C ATOM 263 C VAL A 20 -1.380 3.990 7.950 1.00 0.00 C ATOM 264 O VAL A 20 -0.520 4.780 7.561 1.00 0.00 O ATOM 265 CB VAL A 20 -0.481 1.670 7.753 1.00 0.00 C ATOM 266 CG1 VAL A 20 0.219 0.549 8.505 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.624 1.125 6.910 1.00 0.00 C ATOM 0 H VAL A 20 -2.924 1.947 8.959 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.205 2.985 9.441 1.00 0.00 H new ATOM 0 HB VAL A 20 0.244 2.135 7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.577 -0.197 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.064 0.956 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.481 0.084 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.241 0.371 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.374 0.676 7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.077 1.938 6.342 1.00 0.00 H new ATOM 277 N LEU A 21 -2.677 4.164 7.723 1.00 0.00 N ATOM 278 CA LEU A 21 -3.177 5.320 6.985 1.00 0.00 C ATOM 279 C LEU A 21 -4.126 6.146 7.847 1.00 0.00 C ATOM 280 O LEU A 21 -4.898 5.601 8.634 1.00 0.00 O ATOM 281 CB LEU A 21 -3.890 4.867 5.710 1.00 0.00 C ATOM 282 CG LEU A 21 -4.449 5.979 4.823 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.339 6.924 4.388 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.155 5.390 3.610 1.00 0.00 C ATOM 0 H LEU A 21 -3.402 3.520 8.039 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.325 5.944 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.192 4.274 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.711 4.207 5.991 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.177 6.548 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.756 7.709 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.877 7.372 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.587 6.369 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.547 6.196 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.448 4.797 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.977 4.754 3.940 1.00 0.00 H new ATOM 296 N GLU A 22 -4.063 7.465 7.689 1.00 0.00 N ATOM 297 CA GLU A 22 -4.919 8.366 8.452 1.00 0.00 C ATOM 298 C GLU A 22 -6.385 8.169 8.080 1.00 0.00 C ATOM 299 O GLU A 22 -6.706 7.449 7.134 1.00 0.00 O ATOM 300 CB GLU A 22 -4.510 9.821 8.209 1.00 0.00 C ATOM 301 CG GLU A 22 -3.264 10.239 8.970 1.00 0.00 C ATOM 302 CD GLU A 22 -2.040 9.438 8.570 1.00 0.00 C ATOM 303 OE1 GLU A 22 -1.409 9.790 7.551 1.00 0.00 O ATOM 304 OE2 GLU A 22 -1.713 8.461 9.275 1.00 0.00 O ATOM 0 H GLU A 22 -3.429 7.932 7.041 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.797 8.133 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.340 9.968 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.335 10.474 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.074 11.298 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.439 10.119 10.039 1.00 0.00 H new ATOM 436 N PRO A 31 -10.628 7.939 -5.128 1.00 0.00 N ATOM 437 CA PRO A 31 -9.582 7.192 -4.423 1.00 0.00 C ATOM 438 C PRO A 31 -8.446 6.771 -5.350 1.00 0.00 C ATOM 439 O PRO A 31 -7.362 6.410 -4.893 1.00 0.00 O ATOM 440 CB PRO A 31 -10.321 5.963 -3.889 1.00 0.00 C ATOM 441 CG PRO A 31 -11.477 5.786 -4.813 1.00 0.00 C ATOM 442 CD PRO A 31 -11.878 7.169 -5.244 1.00 0.00 C ATOM 0 HA PRO A 31 -9.107 7.791 -3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.677 5.083 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.654 6.116 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.200 5.175 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.302 5.278 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.261 7.176 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.662 7.577 -4.606 1.00 0.00 H new ATOM 450 N GLU A 32 -8.703 6.819 -6.653 1.00 0.00 N ATOM 451 CA GLU A 32 -7.702 6.441 -7.643 1.00 0.00 C ATOM 452 C GLU A 32 -6.443 7.291 -7.495 1.00 0.00 C ATOM 453 O GLU A 32 -5.330 6.768 -7.452 1.00 0.00 O ATOM 454 CB GLU A 32 -8.268 6.591 -9.057 1.00 0.00 C ATOM 455 CG GLU A 32 -7.226 6.423 -10.150 1.00 0.00 C ATOM 456 CD GLU A 32 -7.656 7.043 -11.465 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.850 6.926 -11.814 1.00 0.00 O ATOM 458 OE2 GLU A 32 -6.800 7.645 -12.146 1.00 0.00 O ATOM 0 H GLU A 32 -9.596 7.116 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.438 5.397 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.058 5.854 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.728 7.575 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.289 6.878 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.030 5.361 -10.300 1.00 0.00 H new ATOM 465 N GLU A 33 -6.629 8.605 -7.418 1.00 0.00 N ATOM 466 CA GLU A 33 -5.508 9.528 -7.276 1.00 0.00 C ATOM 467 C GLU A 33 -5.001 9.550 -5.837 1.00 0.00 C ATOM 468 O GLU A 33 -3.794 9.531 -5.592 1.00 0.00 O ATOM 469 CB GLU A 33 -5.922 10.937 -7.704 1.00 0.00 C ATOM 470 CG GLU A 33 -5.697 11.215 -9.181 1.00 0.00 C ATOM 471 CD GLU A 33 -6.198 12.584 -9.600 1.00 0.00 C ATOM 472 OE1 GLU A 33 -7.302 12.970 -9.163 1.00 0.00 O ATOM 473 OE2 GLU A 33 -5.486 13.268 -10.365 1.00 0.00 O ATOM 0 H GLU A 33 -7.544 9.054 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.701 9.182 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.977 11.083 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.363 11.665 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.633 11.138 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.202 10.451 -9.772 1.00 0.00 H new ATOM 480 N PHE A 34 -5.930 9.591 -4.888 1.00 0.00 N ATOM 481 CA PHE A 34 -5.578 9.618 -3.473 1.00 0.00 C ATOM 482 C PHE A 34 -4.646 8.462 -3.123 1.00 0.00 C ATOM 483 O PHE A 34 -3.617 8.654 -2.474 1.00 0.00 O ATOM 484 CB PHE A 34 -6.840 9.549 -2.611 1.00 0.00 C ATOM 485 CG PHE A 34 -6.561 9.588 -1.136 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.424 10.798 -0.475 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.435 8.415 -0.409 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.166 10.837 0.882 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.177 8.447 0.948 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.044 9.660 1.595 1.00 0.00 C ATOM 0 H PHE A 34 -6.933 9.606 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.059 10.555 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.494 10.381 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.381 8.633 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.520 11.721 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.540 7.464 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.060 11.787 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.079 7.525 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.845 9.688 2.656 1.00 0.00 H new ATOM 500 N LEU A 35 -5.013 7.261 -3.557 1.00 0.00 N ATOM 501 CA LEU A 35 -4.211 6.072 -3.290 1.00 0.00 C ATOM 502 C LEU A 35 -2.845 6.175 -3.962 1.00 0.00 C ATOM 503 O LEU A 35 -1.818 5.871 -3.355 1.00 0.00 O ATOM 504 CB LEU A 35 -4.940 4.820 -3.779 1.00 0.00 C ATOM 505 CG LEU A 35 -5.970 4.224 -2.819 1.00 0.00 C ATOM 506 CD1 LEU A 35 -6.905 3.280 -3.557 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.275 3.502 -1.673 1.00 0.00 C ATOM 0 H LEU A 35 -5.861 7.085 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.061 5.999 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.443 5.060 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.196 4.055 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.564 5.038 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.631 2.866 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.428 3.826 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.327 2.470 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.023 3.084 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.656 2.698 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.648 4.206 -1.126 1.00 0.00 H new ATOM 519 N LYS A 36 -2.841 6.606 -5.218 1.00 0.00 N ATOM 520 CA LYS A 36 -1.602 6.753 -5.973 1.00 0.00 C ATOM 521 C LYS A 36 -0.670 7.754 -5.299 1.00 0.00 C ATOM 522 O LYS A 36 0.551 7.672 -5.439 1.00 0.00 O ATOM 523 CB LYS A 36 -1.903 7.203 -7.404 1.00 0.00 C ATOM 524 CG LYS A 36 -2.656 6.168 -8.222 1.00 0.00 C ATOM 525 CD LYS A 36 -3.427 6.812 -9.363 1.00 0.00 C ATOM 526 CE LYS A 36 -2.527 7.088 -10.557 1.00 0.00 C ATOM 527 NZ LYS A 36 -3.176 7.998 -11.542 1.00 0.00 N ATOM 0 H LYS A 36 -3.682 6.860 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.105 5.783 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.487 8.123 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.965 7.439 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.953 5.438 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.346 5.625 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.245 6.158 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.875 7.745 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.593 7.532 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.272 6.147 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.531 8.162 -12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.054 7.563 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.396 8.905 -11.084 1.00 0.00 H new ATOM 541 N SER A 37 -1.252 8.699 -4.567 1.00 0.00 N ATOM 542 CA SER A 37 -0.473 9.718 -3.874 1.00 0.00 C ATOM 543 C SER A 37 -0.132 9.269 -2.456 1.00 0.00 C ATOM 544 O SER A 37 0.921 9.615 -1.920 1.00 0.00 O ATOM 545 CB SER A 37 -1.244 11.038 -3.831 1.00 0.00 C ATOM 546 OG SER A 37 -0.414 12.100 -3.392 1.00 0.00 O ATOM 0 H SER A 37 -2.261 8.780 -4.439 1.00 0.00 H new ATOM 0 HA SER A 37 0.456 9.866 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.637 11.265 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.100 10.941 -3.163 1.00 0.00 H new ATOM 0 HG SER A 37 -0.930 12.933 -3.375 1.00 0.00 H new ATOM 552 N SER A 38 -1.031 8.496 -1.854 1.00 0.00 N ATOM 553 CA SER A 38 -0.828 8.002 -0.497 1.00 0.00 C ATOM 554 C SER A 38 0.248 6.921 -0.468 1.00 0.00 C ATOM 555 O SER A 38 1.084 6.885 0.436 1.00 0.00 O ATOM 556 CB SER A 38 -2.138 7.450 0.068 1.00 0.00 C ATOM 557 OG SER A 38 -2.526 6.266 -0.607 1.00 0.00 O ATOM 0 H SER A 38 -1.907 8.199 -2.285 1.00 0.00 H new ATOM 0 HA SER A 38 -0.497 8.836 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.021 7.244 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.923 8.200 -0.027 1.00 0.00 H new ATOM 0 HG SER A 38 -2.205 6.297 -1.532 1.00 0.00 H new ATOM 563 N LEU A 39 0.219 6.040 -1.462 1.00 0.00 N ATOM 564 CA LEU A 39 1.191 4.956 -1.551 1.00 0.00 C ATOM 565 C LEU A 39 2.496 5.445 -2.172 1.00 0.00 C ATOM 566 O LEU A 39 3.571 4.921 -1.877 1.00 0.00 O ATOM 567 CB LEU A 39 0.622 3.801 -2.376 1.00 0.00 C ATOM 568 CG LEU A 39 -0.737 3.261 -1.928 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.348 2.387 -3.012 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.598 2.483 -0.627 1.00 0.00 C ATOM 0 H LEU A 39 -0.467 6.055 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 39 1.400 4.604 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.537 4.129 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.340 2.981 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.403 4.106 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.314 2.012 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.483 2.975 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.685 1.547 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.574 2.106 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.084 1.646 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.204 3.139 0.149 1.00 0.00 H new ATOM 582 N LYS A 40 2.395 6.453 -3.031 1.00 0.00 N ATOM 583 CA LYS A 40 3.567 7.016 -3.692 1.00 0.00 C ATOM 584 C LYS A 40 4.750 7.088 -2.732 1.00 0.00 C ATOM 585 O LYS A 40 5.802 6.502 -2.984 1.00 0.00 O ATOM 586 CB LYS A 40 3.251 8.411 -4.234 1.00 0.00 C ATOM 587 CG LYS A 40 4.485 9.212 -4.610 1.00 0.00 C ATOM 588 CD LYS A 40 4.156 10.682 -4.814 1.00 0.00 C ATOM 589 CE LYS A 40 3.738 10.964 -6.249 1.00 0.00 C ATOM 590 NZ LYS A 40 3.554 12.421 -6.496 1.00 0.00 N ATOM 0 H LYS A 40 1.513 6.897 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 40 3.834 6.362 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.610 8.314 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.684 8.963 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.237 9.112 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.919 8.805 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.354 10.974 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.025 11.289 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.493 10.572 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.808 10.438 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.269 12.572 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.816 12.790 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.448 12.920 -6.313 1.00 0.00 H new ATOM 604 N ASN A 41 4.570 7.810 -1.631 1.00 0.00 N ATOM 605 CA ASN A 41 5.623 7.957 -0.633 1.00 0.00 C ATOM 606 C ASN A 41 6.298 6.618 -0.352 1.00 0.00 C ATOM 607 O ASN A 41 7.513 6.548 -0.175 1.00 0.00 O ATOM 608 CB ASN A 41 5.050 8.534 0.663 1.00 0.00 C ATOM 609 CG ASN A 41 4.918 10.044 0.615 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.923 10.645 -0.459 1.00 0.00 O ATOM 611 ND2 ASN A 41 4.799 10.664 1.783 1.00 0.00 N ATOM 0 H ASN A 41 3.705 8.302 -1.407 1.00 0.00 H new ATOM 0 HA ASN A 41 6.371 8.644 -1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.072 8.092 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.693 8.255 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.707 11.679 1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.800 10.125 2.649 1.00 0.00 H new ATOM 618 N GLY A 42 5.499 5.555 -0.314 1.00 0.00 N ATOM 619 CA GLY A 42 6.037 4.232 -0.055 1.00 0.00 C ATOM 620 C GLY A 42 6.077 3.902 1.424 1.00 0.00 C ATOM 621 O GLY A 42 6.003 2.736 1.810 1.00 0.00 O ATOM 0 H GLY A 42 4.490 5.587 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.431 3.489 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.044 4.166 -0.466 1.00 0.00 H new ATOM 625 N VAL A 43 6.197 4.933 2.256 1.00 0.00 N ATOM 626 CA VAL A 43 6.248 4.746 3.701 1.00 0.00 C ATOM 627 C VAL A 43 4.995 4.041 4.209 1.00 0.00 C ATOM 628 O VAL A 43 5.053 3.251 5.151 1.00 0.00 O ATOM 629 CB VAL A 43 6.399 6.092 4.435 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.340 7.078 3.967 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.322 5.889 5.941 1.00 0.00 C ATOM 0 H VAL A 43 6.261 5.905 1.954 1.00 0.00 H new ATOM 0 HA VAL A 43 7.120 4.126 3.910 1.00 0.00 H new ATOM 0 HB VAL A 43 7.378 6.508 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.463 8.023 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.448 7.246 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.349 6.673 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.431 6.850 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.358 5.451 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.122 5.221 6.259 1.00 0.00 H new ATOM 641 N VAL A 44 3.862 4.332 3.578 1.00 0.00 N ATOM 642 CA VAL A 44 2.594 3.725 3.964 1.00 0.00 C ATOM 643 C VAL A 44 2.612 2.219 3.728 1.00 0.00 C ATOM 644 O VAL A 44 2.161 1.442 4.571 1.00 0.00 O ATOM 645 CB VAL A 44 1.416 4.341 3.187 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.109 3.668 3.575 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.345 5.841 3.429 1.00 0.00 C ATOM 0 H VAL A 44 3.796 4.985 2.797 1.00 0.00 H new ATOM 0 HA VAL A 44 2.460 3.922 5.028 1.00 0.00 H new ATOM 0 HB VAL A 44 1.580 4.175 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.712 4.117 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.165 2.604 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.065 3.800 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.507 6.260 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.206 6.032 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.272 6.308 3.095 1.00 0.00 H new ATOM 657 N LEU A 45 3.135 1.812 2.577 1.00 0.00 N ATOM 658 CA LEU A 45 3.213 0.397 2.229 1.00 0.00 C ATOM 659 C LEU A 45 4.156 -0.344 3.171 1.00 0.00 C ATOM 660 O LEU A 45 3.861 -1.455 3.613 1.00 0.00 O ATOM 661 CB LEU A 45 3.684 0.233 0.783 1.00 0.00 C ATOM 662 CG LEU A 45 2.769 0.821 -0.292 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.577 1.235 -1.512 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.690 -0.179 -0.679 1.00 0.00 C ATOM 0 H LEU A 45 3.512 2.442 1.868 1.00 0.00 H new ATOM 0 HA LEU A 45 2.217 -0.033 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.667 0.695 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.811 -0.831 0.582 1.00 0.00 H new ATOM 0 HG LEU A 45 2.284 1.708 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.909 1.651 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.312 1.986 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.090 0.365 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.048 0.256 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.156 -1.085 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.092 -0.426 0.198 1.00 0.00 H new ATOM 676 N CYS A 46 5.289 0.278 3.476 1.00 0.00 N ATOM 677 CA CYS A 46 6.275 -0.322 4.367 1.00 0.00 C ATOM 678 C CYS A 46 5.661 -0.631 5.728 1.00 0.00 C ATOM 679 O CYS A 46 5.896 -1.696 6.300 1.00 0.00 O ATOM 680 CB CYS A 46 7.475 0.611 4.536 1.00 0.00 C ATOM 681 SG CYS A 46 8.565 0.681 3.094 1.00 0.00 S ATOM 0 H CYS A 46 5.548 1.198 3.119 1.00 0.00 H new ATOM 0 HA CYS A 46 6.611 -1.257 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.113 1.616 4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.054 0.287 5.401 1.00 0.00 H new ATOM 0 HG CYS A 46 7.848 0.727 2.010 1.00 0.00 H new ATOM 687 N LYS A 47 4.874 0.307 6.244 1.00 0.00 N ATOM 688 CA LYS A 47 4.226 0.136 7.538 1.00 0.00 C ATOM 689 C LYS A 47 3.164 -0.958 7.475 1.00 0.00 C ATOM 690 O LYS A 47 2.844 -1.585 8.485 1.00 0.00 O ATOM 691 CB LYS A 47 3.590 1.453 7.991 1.00 0.00 C ATOM 692 CG LYS A 47 4.597 2.476 8.485 1.00 0.00 C ATOM 693 CD LYS A 47 3.918 3.769 8.906 1.00 0.00 C ATOM 694 CE LYS A 47 4.893 4.713 9.592 1.00 0.00 C ATOM 695 NZ LYS A 47 4.189 5.749 10.396 1.00 0.00 N ATOM 0 H LYS A 47 4.670 1.195 5.785 1.00 0.00 H new ATOM 0 HA LYS A 47 4.986 -0.161 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.028 1.880 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.874 1.246 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.152 2.064 9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.322 2.684 7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.491 4.259 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.092 3.544 9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.558 4.141 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.518 5.198 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.798 6.050 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.972 6.568 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.305 5.353 10.774 1.00 0.00 H new ATOM 709 N LEU A 48 2.624 -1.183 6.283 1.00 0.00 N ATOM 710 CA LEU A 48 1.599 -2.203 6.087 1.00 0.00 C ATOM 711 C LEU A 48 2.196 -3.602 6.197 1.00 0.00 C ATOM 712 O LEU A 48 1.970 -4.308 7.181 1.00 0.00 O ATOM 713 CB LEU A 48 0.930 -2.027 4.723 1.00 0.00 C ATOM 714 CG LEU A 48 0.065 -3.194 4.244 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.220 -3.272 5.053 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.243 -3.055 2.761 1.00 0.00 C ATOM 0 H LEU A 48 2.878 -0.673 5.437 1.00 0.00 H new ATOM 0 HA LEU A 48 0.849 -2.085 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.310 -1.131 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.707 -1.848 3.980 1.00 0.00 H new ATOM 0 HG LEU A 48 0.621 -4.120 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.823 -4.108 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.979 -3.419 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.781 -2.345 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.859 -3.894 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.779 -2.122 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.688 -3.049 2.195 1.00 0.00 H new ATOM 728 N ILE A 49 2.960 -3.995 5.184 1.00 0.00 N ATOM 729 CA ILE A 49 3.592 -5.309 5.169 1.00 0.00 C ATOM 730 C ILE A 49 4.162 -5.660 6.538 1.00 0.00 C ATOM 731 O ILE A 49 4.206 -6.828 6.923 1.00 0.00 O ATOM 732 CB ILE A 49 4.720 -5.379 4.122 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.337 -6.778 4.099 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.782 -4.330 4.416 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.515 -7.790 3.332 1.00 0.00 C ATOM 0 H ILE A 49 3.157 -3.423 4.363 1.00 0.00 H new ATOM 0 HA ILE A 49 2.817 -6.029 4.905 1.00 0.00 H new ATOM 0 HB ILE A 49 4.297 -5.173 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.332 -6.720 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.464 -7.127 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.572 -4.392 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.331 -3.338 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.204 -4.507 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.014 -8.759 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.528 -7.877 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.410 -7.464 2.297 1.00 0.00 H new ATOM 747 N ASN A 50 4.598 -4.640 7.271 1.00 0.00 N ATOM 748 CA ASN A 50 5.165 -4.841 8.600 1.00 0.00 C ATOM 749 C ASN A 50 4.092 -5.293 9.586 1.00 0.00 C ATOM 750 O ASN A 50 4.288 -6.249 10.336 1.00 0.00 O ATOM 751 CB ASN A 50 5.821 -3.551 9.097 1.00 0.00 C ATOM 752 CG ASN A 50 7.261 -3.422 8.642 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.908 -4.413 8.302 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.772 -2.196 8.634 1.00 0.00 N ATOM 0 H ASN A 50 4.570 -3.667 6.967 1.00 0.00 H new ATOM 0 HA ASN A 50 5.922 -5.622 8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.251 -2.695 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.783 -3.524 10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.737 -2.048 8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.200 -1.403 8.924 1.00 0.00 H new ATOM 761 N ARG A 51 2.959 -4.598 9.579 1.00 0.00 N ATOM 762 CA ARG A 51 1.856 -4.927 10.474 1.00 0.00 C ATOM 763 C ARG A 51 1.295 -6.311 10.159 1.00 0.00 C ATOM 764 O ARG A 51 0.837 -7.025 11.052 1.00 0.00 O ATOM 765 CB ARG A 51 0.748 -3.878 10.359 1.00 0.00 C ATOM 766 CG ARG A 51 -0.341 -4.025 11.409 1.00 0.00 C ATOM 767 CD ARG A 51 0.012 -3.277 12.686 1.00 0.00 C ATOM 768 NE ARG A 51 -0.761 -3.753 13.830 1.00 0.00 N ATOM 769 CZ ARG A 51 -0.985 -3.026 14.918 1.00 0.00 C ATOM 770 NH1 ARG A 51 -0.499 -1.796 15.010 1.00 0.00 N ATOM 771 NH2 ARG A 51 -1.698 -3.529 15.918 1.00 0.00 N ATOM 0 H ARG A 51 2.781 -3.804 8.964 1.00 0.00 H new ATOM 0 HA ARG A 51 2.238 -4.932 11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.189 -2.885 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.298 -3.945 9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.283 -3.647 11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.491 -5.081 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.076 -3.395 12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.169 -2.212 12.544 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.150 -4.695 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.049 -1.405 14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.673 -1.240 15.847 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.074 -4.475 15.851 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.870 -2.970 16.754 1.00 0.00 H new ATOM 785 N LEU A 52 1.334 -6.683 8.884 1.00 0.00 N ATOM 786 CA LEU A 52 0.830 -7.982 8.451 1.00 0.00 C ATOM 787 C LEU A 52 1.793 -9.098 8.842 1.00 0.00 C ATOM 788 O LEU A 52 1.373 -10.164 9.293 1.00 0.00 O ATOM 789 CB LEU A 52 0.613 -7.987 6.937 1.00 0.00 C ATOM 790 CG LEU A 52 -0.079 -6.755 6.354 1.00 0.00 C ATOM 791 CD1 LEU A 52 -0.036 -6.787 4.834 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.516 -6.666 6.847 1.00 0.00 C ATOM 0 H LEU A 52 1.709 -6.104 8.133 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.123 -8.159 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.583 -8.098 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.024 -8.867 6.677 1.00 0.00 H new ATOM 0 HG LEU A 52 0.456 -5.868 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.533 -5.902 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.001 -6.801 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.545 -7.681 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.993 -5.783 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.062 -7.557 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.524 -6.594 7.935 1.00 0.00 H new ATOM 804 N MET A 53 3.086 -8.846 8.668 1.00 0.00 N ATOM 805 CA MET A 53 4.108 -9.829 9.006 1.00 0.00 C ATOM 806 C MET A 53 5.216 -9.195 9.842 1.00 0.00 C ATOM 807 O MET A 53 5.719 -8.115 9.533 1.00 0.00 O ATOM 808 CB MET A 53 4.700 -10.439 7.734 1.00 0.00 C ATOM 809 CG MET A 53 3.693 -11.234 6.917 1.00 0.00 C ATOM 810 SD MET A 53 4.460 -12.135 5.556 1.00 0.00 S ATOM 811 CE MET A 53 5.181 -13.521 6.432 1.00 0.00 C ATOM 0 H MET A 53 3.451 -7.970 8.295 1.00 0.00 H new ATOM 0 HA MET A 53 3.638 -10.617 9.594 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.110 -9.641 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.531 -11.090 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.177 -11.939 7.569 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.938 -10.556 6.519 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.309 -14.358 5.746 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.151 -13.231 6.836 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.522 -13.818 7.248 1.00 0.00 H new ATOM 821 N PRO A 54 5.605 -9.881 10.927 1.00 0.00 N ATOM 822 CA PRO A 54 6.657 -9.404 11.830 1.00 0.00 C ATOM 823 C PRO A 54 8.038 -9.449 11.185 1.00 0.00 C ATOM 824 O PRO A 54 8.586 -10.524 10.942 1.00 0.00 O ATOM 825 CB PRO A 54 6.584 -10.380 13.007 1.00 0.00 C ATOM 826 CG PRO A 54 5.999 -11.623 12.432 1.00 0.00 C ATOM 827 CD PRO A 54 5.049 -11.175 11.356 1.00 0.00 C ATOM 0 HA PRO A 54 6.510 -8.362 12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.572 -10.566 13.429 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.963 -9.985 13.811 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.777 -12.267 12.022 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.478 -12.199 13.197 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.009 -11.888 10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.033 -11.070 11.736 1.00 0.00 H new ATOM 835 N GLY A 55 8.597 -8.274 10.911 1.00 0.00 N ATOM 836 CA GLY A 55 9.910 -8.203 10.297 1.00 0.00 C ATOM 837 C GLY A 55 9.847 -8.263 8.783 1.00 0.00 C ATOM 838 O GLY A 55 10.454 -9.137 8.165 1.00 0.00 O ATOM 0 H GLY A 55 8.164 -7.371 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.400 -7.278 10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.524 -9.025 10.665 1.00 0.00 H new ATOM 842 N SER A 56 9.109 -7.333 8.186 1.00 0.00 N ATOM 843 CA SER A 56 8.964 -7.288 6.736 1.00 0.00 C ATOM 844 C SER A 56 9.962 -6.311 6.120 1.00 0.00 C ATOM 845 O SER A 56 10.690 -6.654 5.188 1.00 0.00 O ATOM 846 CB SER A 56 7.538 -6.883 6.357 1.00 0.00 C ATOM 847 OG SER A 56 6.587 -7.739 6.965 1.00 0.00 O ATOM 0 H SER A 56 8.602 -6.601 8.684 1.00 0.00 H new ATOM 0 HA SER A 56 9.168 -8.285 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.355 -5.854 6.665 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.423 -6.917 5.274 1.00 0.00 H new ATOM 0 HG SER A 56 5.809 -7.215 7.248 1.00 0.00 H new ATOM 853 N VAL A 57 9.991 -5.092 6.649 1.00 0.00 N ATOM 854 CA VAL A 57 10.899 -4.065 6.153 1.00 0.00 C ATOM 855 C VAL A 57 12.002 -3.773 7.165 1.00 0.00 C ATOM 856 O VAL A 57 11.729 -3.396 8.304 1.00 0.00 O ATOM 857 CB VAL A 57 10.149 -2.758 5.836 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.133 -1.626 5.580 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.224 -2.951 4.644 1.00 0.00 C ATOM 0 H VAL A 57 9.396 -4.792 7.421 1.00 0.00 H new ATOM 0 HA VAL A 57 11.344 -4.451 5.236 1.00 0.00 H new ATOM 0 HB VAL A 57 9.540 -2.490 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.585 -0.711 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.750 -1.473 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.770 -1.882 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.702 -2.018 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.810 -3.243 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.497 -3.731 4.870 1.00 0.00 H new ATOM 869 N GLU A 58 13.249 -3.948 6.739 1.00 0.00 N ATOM 870 CA GLU A 58 14.394 -3.704 7.609 1.00 0.00 C ATOM 871 C GLU A 58 14.356 -2.286 8.172 1.00 0.00 C ATOM 872 O GLU A 58 14.531 -2.077 9.372 1.00 0.00 O ATOM 873 CB GLU A 58 15.700 -3.926 6.844 1.00 0.00 C ATOM 874 CG GLU A 58 16.864 -4.333 7.732 1.00 0.00 C ATOM 875 CD GLU A 58 18.209 -4.117 7.067 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.622 -2.947 6.926 1.00 0.00 O ATOM 877 OE2 GLU A 58 18.850 -5.120 6.687 1.00 0.00 O ATOM 0 H GLU A 58 13.492 -4.257 5.798 1.00 0.00 H new ATOM 0 HA GLU A 58 14.344 -4.408 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.543 -4.697 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.961 -3.010 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.826 -3.762 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.761 -5.384 8.001 1.00 0.00 H new ATOM 884 N LYS A 59 14.127 -1.314 7.295 1.00 0.00 N ATOM 885 CA LYS A 59 14.065 0.085 7.702 1.00 0.00 C ATOM 886 C LYS A 59 13.669 0.976 6.529 1.00 0.00 C ATOM 887 O LYS A 59 14.262 0.903 5.453 1.00 0.00 O ATOM 888 CB LYS A 59 15.415 0.534 8.265 1.00 0.00 C ATOM 889 CG LYS A 59 16.413 0.945 7.196 1.00 0.00 C ATOM 890 CD LYS A 59 16.300 2.424 6.866 1.00 0.00 C ATOM 891 CE LYS A 59 17.634 2.997 6.413 1.00 0.00 C ATOM 892 NZ LYS A 59 17.616 4.486 6.379 1.00 0.00 N ATOM 0 H LYS A 59 13.981 -1.470 6.298 1.00 0.00 H new ATOM 0 HA LYS A 59 13.306 0.178 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.256 1.372 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.841 -0.277 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.424 0.724 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.245 0.356 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.556 2.567 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.948 2.968 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.422 2.659 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.876 2.614 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.543 4.837 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.881 4.809 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.411 4.853 7.330 1.00 0.00 H new ATOM 906 N PHE A 60 12.664 1.818 6.745 1.00 0.00 N ATOM 907 CA PHE A 60 12.189 2.724 5.705 1.00 0.00 C ATOM 908 C PHE A 60 12.187 4.167 6.201 1.00 0.00 C ATOM 909 O PHE A 60 12.611 4.451 7.322 1.00 0.00 O ATOM 910 CB PHE A 60 10.782 2.326 5.255 1.00 0.00 C ATOM 911 CG PHE A 60 9.789 2.260 6.381 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.865 1.254 7.331 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.780 3.203 6.488 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.953 1.191 8.367 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.865 3.145 7.522 1.00 0.00 C ATOM 916 CZ PHE A 60 7.952 2.138 8.463 1.00 0.00 C ATOM 0 H PHE A 60 12.163 1.892 7.630 1.00 0.00 H new ATOM 0 HA PHE A 60 12.869 2.650 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.430 3.042 4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.828 1.354 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.646 0.511 7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.708 3.993 5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.023 0.402 9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.083 3.886 7.594 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.239 2.091 9.273 1.00 0.00 H new ATOM 926 N CYS A 61 11.709 5.075 5.357 1.00 0.00 N ATOM 927 CA CYS A 61 11.653 6.490 5.708 1.00 0.00 C ATOM 928 C CYS A 61 10.230 6.905 6.067 1.00 0.00 C ATOM 929 O CYS A 61 9.323 6.836 5.236 1.00 0.00 O ATOM 930 CB CYS A 61 12.170 7.345 4.549 1.00 0.00 C ATOM 931 SG CYS A 61 12.938 8.898 5.064 1.00 0.00 S ATOM 0 H CYS A 61 11.355 4.857 4.426 1.00 0.00 H new ATOM 0 HA CYS A 61 12.289 6.649 6.579 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.895 6.765 3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.341 7.567 3.877 1.00 0.00 H new ATOM 0 HG CYS A 61 13.992 9.123 4.337 1.00 0.00 H new ATOM 937 N LEU A 62 10.041 7.335 7.310 1.00 0.00 N ATOM 938 CA LEU A 62 8.728 7.760 7.780 1.00 0.00 C ATOM 939 C LEU A 62 8.323 9.086 7.142 1.00 0.00 C ATOM 940 O LEU A 62 7.159 9.290 6.798 1.00 0.00 O ATOM 941 CB LEU A 62 8.729 7.894 9.304 1.00 0.00 C ATOM 942 CG LEU A 62 8.830 6.588 10.093 1.00 0.00 C ATOM 943 CD1 LEU A 62 9.051 6.872 11.570 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.579 5.746 9.891 1.00 0.00 C ATOM 0 H LEU A 62 10.780 7.398 8.010 1.00 0.00 H new ATOM 0 HA LEU A 62 8.002 7.001 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.563 8.534 9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.815 8.407 9.604 1.00 0.00 H new ATOM 0 HG LEU A 62 9.687 6.026 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.120 5.931 12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.976 7.434 11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.215 7.455 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.668 4.820 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.707 6.301 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.465 5.512 8.833 1.00 0.00 H new ATOM 956 N ASP A 63 9.292 9.981 6.987 1.00 0.00 N ATOM 957 CA ASP A 63 9.038 11.286 6.387 1.00 0.00 C ATOM 958 C ASP A 63 10.077 11.603 5.317 1.00 0.00 C ATOM 959 O ASP A 63 11.073 12.283 5.566 1.00 0.00 O ATOM 960 CB ASP A 63 9.044 12.375 7.461 1.00 0.00 C ATOM 961 CG ASP A 63 8.326 13.633 7.014 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.410 13.970 5.815 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.678 14.279 7.864 1.00 0.00 O ATOM 0 H ASP A 63 10.260 9.827 7.268 1.00 0.00 H new ATOM 0 HA ASP A 63 8.055 11.257 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.571 11.992 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.074 12.620 7.720 1.00 0.00 H new ATOM 968 N PRO A 64 9.843 11.100 4.096 1.00 0.00 N ATOM 969 CA PRO A 64 10.748 11.317 2.963 1.00 0.00 C ATOM 970 C PRO A 64 10.733 12.762 2.477 1.00 0.00 C ATOM 971 O PRO A 64 9.826 13.174 1.756 1.00 0.00 O ATOM 972 CB PRO A 64 10.195 10.384 1.883 1.00 0.00 C ATOM 973 CG PRO A 64 8.754 10.220 2.226 1.00 0.00 C ATOM 974 CD PRO A 64 8.676 10.281 3.726 1.00 0.00 C ATOM 0 HA PRO A 64 11.786 11.117 3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.319 10.812 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.714 9.425 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.153 11.007 1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.370 9.270 1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.744 10.735 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.725 9.287 4.172 1.00 0.00 H new ATOM 982 N GLN A 65 11.744 13.527 2.877 1.00 0.00 N ATOM 983 CA GLN A 65 11.846 14.926 2.482 1.00 0.00 C ATOM 984 C GLN A 65 12.032 15.054 0.974 1.00 0.00 C ATOM 985 O GLN A 65 11.506 15.976 0.348 1.00 0.00 O ATOM 986 CB GLN A 65 13.011 15.600 3.210 1.00 0.00 C ATOM 987 CG GLN A 65 12.796 17.085 3.457 1.00 0.00 C ATOM 988 CD GLN A 65 12.681 17.880 2.172 1.00 0.00 C ATOM 989 OE1 GLN A 65 11.581 18.207 1.727 1.00 0.00 O ATOM 990 NE2 GLN A 65 13.820 18.196 1.567 1.00 0.00 N ATOM 0 H GLN A 65 12.504 13.201 3.474 1.00 0.00 H new ATOM 0 HA GLN A 65 10.917 15.424 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.169 15.100 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.921 15.465 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.890 17.224 4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.625 17.475 4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.710 17.904 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.805 18.730 0.698 1.00 0.00 H new ATOM 999 N THR A 66 12.782 14.123 0.394 1.00 0.00 N ATOM 1000 CA THR A 66 13.038 14.132 -1.041 1.00 0.00 C ATOM 1001 C THR A 66 12.522 12.858 -1.700 1.00 0.00 C ATOM 1002 O THR A 66 12.158 11.900 -1.018 1.00 0.00 O ATOM 1003 CB THR A 66 14.542 14.279 -1.342 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.266 13.186 -0.766 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.077 15.594 -0.795 1.00 0.00 C ATOM 0 H THR A 66 13.223 13.353 0.896 1.00 0.00 H new ATOM 0 HA THR A 66 12.507 14.991 -1.451 1.00 0.00 H new ATOM 0 HB THR A 66 14.676 14.273 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.221 13.286 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.141 15.676 -1.019 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.544 16.424 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.931 15.625 0.285 1.00 0.00 H new ATOM 1013 N GLU A 67 12.494 12.854 -3.029 1.00 0.00 N ATOM 1014 CA GLU A 67 12.021 11.696 -3.779 1.00 0.00 C ATOM 1015 C GLU A 67 12.856 10.460 -3.455 1.00 0.00 C ATOM 1016 O GLU A 67 12.317 9.402 -3.132 1.00 0.00 O ATOM 1017 CB GLU A 67 12.071 11.979 -5.282 1.00 0.00 C ATOM 1018 CG GLU A 67 11.671 10.790 -6.138 1.00 0.00 C ATOM 1019 CD GLU A 67 12.100 10.942 -7.585 1.00 0.00 C ATOM 1020 OE1 GLU A 67 13.254 10.585 -7.903 1.00 0.00 O ATOM 1021 OE2 GLU A 67 11.281 11.418 -8.399 1.00 0.00 O ATOM 0 H GLU A 67 12.793 13.639 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 67 10.989 11.503 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.411 12.817 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.081 12.287 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.114 9.884 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.589 10.664 -6.095 1.00 0.00 H new ATOM 1028 N ALA A 68 14.174 10.604 -3.544 1.00 0.00 N ATOM 1029 CA ALA A 68 15.084 9.501 -3.259 1.00 0.00 C ATOM 1030 C ALA A 68 14.667 8.758 -1.995 1.00 0.00 C ATOM 1031 O ALA A 68 14.835 7.543 -1.893 1.00 0.00 O ATOM 1032 CB ALA A 68 16.510 10.014 -3.126 1.00 0.00 C ATOM 0 H ALA A 68 14.636 11.473 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 68 15.038 8.800 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.178 9.180 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.813 10.493 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.562 10.737 -2.312 1.00 0.00 H new ATOM 1038 N ASP A 69 14.123 9.496 -1.033 1.00 0.00 N ATOM 1039 CA ASP A 69 13.682 8.906 0.226 1.00 0.00 C ATOM 1040 C ASP A 69 12.405 8.095 0.028 1.00 0.00 C ATOM 1041 O ASP A 69 12.218 7.051 0.655 1.00 0.00 O ATOM 1042 CB ASP A 69 13.449 9.998 1.271 1.00 0.00 C ATOM 1043 CG ASP A 69 14.731 10.420 1.963 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.621 9.561 2.138 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.844 11.608 2.328 1.00 0.00 O ATOM 0 H ASP A 69 13.977 10.503 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 69 14.466 8.236 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.996 10.866 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.739 9.639 2.016 1.00 0.00 H new ATOM 1050 N CYS A 70 11.531 8.581 -0.846 1.00 0.00 N ATOM 1051 CA CYS A 70 10.271 7.902 -1.126 1.00 0.00 C ATOM 1052 C CYS A 70 10.516 6.560 -1.808 1.00 0.00 C ATOM 1053 O CYS A 70 10.091 5.515 -1.315 1.00 0.00 O ATOM 1054 CB CYS A 70 9.378 8.779 -2.005 1.00 0.00 C ATOM 1055 SG CYS A 70 8.656 10.195 -1.142 1.00 0.00 S ATOM 0 H CYS A 70 11.672 9.443 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 70 9.767 7.720 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.962 9.142 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.574 8.167 -2.413 1.00 0.00 H new ATOM 0 HG CYS A 70 7.919 10.877 -1.968 1.00 0.00 H new ATOM 1061 N ILE A 71 11.202 6.597 -2.946 1.00 0.00 N ATOM 1062 CA ILE A 71 11.503 5.385 -3.696 1.00 0.00 C ATOM 1063 C ILE A 71 12.022 4.284 -2.777 1.00 0.00 C ATOM 1064 O ILE A 71 11.608 3.130 -2.879 1.00 0.00 O ATOM 1065 CB ILE A 71 12.543 5.649 -4.800 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.000 6.660 -5.812 1.00 0.00 C ATOM 1067 CG2 ILE A 71 12.923 4.349 -5.493 1.00 0.00 C ATOM 1068 CD1 ILE A 71 10.763 6.180 -6.540 1.00 0.00 C ATOM 0 H ILE A 71 11.560 7.454 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 71 10.570 5.060 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 71 13.439 6.068 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.769 7.591 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.777 6.885 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.659 4.553 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.347 3.659 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.035 3.903 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.433 6.947 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.994 5.265 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.970 5.983 -5.819 1.00 0.00 H new ATOM 1080 N ASN A 72 12.930 4.651 -1.878 1.00 0.00 N ATOM 1081 CA ASN A 72 13.505 3.694 -0.939 1.00 0.00 C ATOM 1082 C ASN A 72 12.410 2.935 -0.197 1.00 0.00 C ATOM 1083 O ASN A 72 12.556 1.751 0.104 1.00 0.00 O ATOM 1084 CB ASN A 72 14.411 4.413 0.062 1.00 0.00 C ATOM 1085 CG ASN A 72 15.740 4.817 -0.547 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.145 4.292 -1.585 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.426 5.754 0.097 1.00 0.00 N ATOM 0 H ASN A 72 13.283 5.603 -1.780 1.00 0.00 H new ATOM 0 HA ASN A 72 14.098 2.977 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.901 5.301 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.590 3.763 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.327 6.066 -0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.052 6.162 0.954 1.00 0.00 H new ATOM 1094 N ASN A 73 11.312 3.625 0.095 1.00 0.00 N ATOM 1095 CA ASN A 73 10.192 3.016 0.802 1.00 0.00 C ATOM 1096 C ASN A 73 9.469 2.009 -0.088 1.00 0.00 C ATOM 1097 O ASN A 73 9.225 0.872 0.316 1.00 0.00 O ATOM 1098 CB ASN A 73 9.212 4.094 1.272 1.00 0.00 C ATOM 1099 CG ASN A 73 9.855 5.084 2.224 1.00 0.00 C ATOM 1100 OD1 ASN A 73 10.951 4.851 2.732 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.172 6.197 2.469 1.00 0.00 N ATOM 0 H ASN A 73 11.174 4.606 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 73 10.586 2.489 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.821 4.628 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.363 3.620 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.553 6.901 3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.266 6.348 2.025 1.00 0.00 H new ATOM 1108 N ILE A 74 9.130 2.436 -1.300 1.00 0.00 N ATOM 1109 CA ILE A 74 8.438 1.571 -2.247 1.00 0.00 C ATOM 1110 C ILE A 74 9.180 0.252 -2.431 1.00 0.00 C ATOM 1111 O ILE A 74 8.584 -0.822 -2.360 1.00 0.00 O ATOM 1112 CB ILE A 74 8.278 2.253 -3.619 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.285 3.413 -3.523 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.822 1.244 -4.662 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.284 4.310 -4.741 1.00 0.00 C ATOM 0 H ILE A 74 9.323 3.375 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 74 7.450 1.374 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 74 9.245 2.651 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.282 3.011 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.520 4.010 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.713 1.741 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.562 0.448 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.864 0.819 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.557 5.110 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.276 4.741 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.019 3.726 -5.622 1.00 0.00 H new ATOM 1127 N ASN A 75 10.485 0.341 -2.667 1.00 0.00 N ATOM 1128 CA ASN A 75 11.310 -0.846 -2.860 1.00 0.00 C ATOM 1129 C ASN A 75 11.303 -1.723 -1.612 1.00 0.00 C ATOM 1130 O ASN A 75 11.300 -2.950 -1.703 1.00 0.00 O ATOM 1131 CB ASN A 75 12.745 -0.444 -3.207 1.00 0.00 C ATOM 1132 CG ASN A 75 12.949 -0.258 -4.698 1.00 0.00 C ATOM 1133 OD1 ASN A 75 13.017 -1.228 -5.453 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.048 0.995 -5.129 1.00 0.00 N ATOM 0 H ASN A 75 10.994 1.223 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 75 10.890 -1.419 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.995 0.483 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.432 -1.208 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.186 1.183 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.986 1.768 -4.467 1.00 0.00 H new ATOM 1141 N ASP A 76 11.299 -1.084 -0.447 1.00 0.00 N ATOM 1142 CA ASP A 76 11.290 -1.805 0.820 1.00 0.00 C ATOM 1143 C ASP A 76 10.077 -2.724 0.914 1.00 0.00 C ATOM 1144 O ASP A 76 10.205 -3.908 1.228 1.00 0.00 O ATOM 1145 CB ASP A 76 11.291 -0.821 1.991 1.00 0.00 C ATOM 1146 CG ASP A 76 12.685 -0.336 2.340 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.660 -1.031 1.984 1.00 0.00 O ATOM 1148 OD2 ASP A 76 12.801 0.736 2.968 1.00 0.00 O ATOM 0 H ASP A 76 11.302 -0.068 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 76 12.191 -2.416 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.663 0.035 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.847 -1.299 2.864 1.00 0.00 H new ATOM 1153 N PHE A 77 8.900 -2.172 0.640 1.00 0.00 N ATOM 1154 CA PHE A 77 7.663 -2.942 0.695 1.00 0.00 C ATOM 1155 C PHE A 77 7.764 -4.197 -0.166 1.00 0.00 C ATOM 1156 O PHE A 77 7.242 -5.254 0.191 1.00 0.00 O ATOM 1157 CB PHE A 77 6.482 -2.086 0.232 1.00 0.00 C ATOM 1158 CG PHE A 77 5.241 -2.881 -0.054 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.659 -3.661 0.932 1.00 0.00 C ATOM 1160 CD2 PHE A 77 4.655 -2.848 -1.309 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.516 -4.394 0.672 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.512 -3.578 -1.575 1.00 0.00 C ATOM 1163 CZ PHE A 77 2.942 -4.353 -0.583 1.00 0.00 C ATOM 0 H PHE A 77 8.777 -1.194 0.378 1.00 0.00 H new ATOM 0 HA PHE A 77 7.500 -3.245 1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.259 -1.343 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.769 -1.540 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.104 -3.697 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.097 -2.245 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.073 -4.998 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.065 -3.543 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.050 -4.925 -0.789 1.00 0.00 H new ATOM 1173 N LEU A 78 8.440 -4.074 -1.303 1.00 0.00 N ATOM 1174 CA LEU A 78 8.611 -5.197 -2.218 1.00 0.00 C ATOM 1175 C LEU A 78 9.317 -6.359 -1.527 1.00 0.00 C ATOM 1176 O LEU A 78 8.802 -7.477 -1.486 1.00 0.00 O ATOM 1177 CB LEU A 78 9.407 -4.761 -3.450 1.00 0.00 C ATOM 1178 CG LEU A 78 8.752 -3.695 -4.329 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.707 -3.248 -5.425 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.456 -4.220 -4.929 1.00 0.00 C ATOM 0 H LEU A 78 8.879 -3.207 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 78 7.622 -5.531 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.375 -4.385 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.600 -5.641 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 78 8.516 -2.832 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.224 -2.489 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.608 -2.831 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.974 -4.103 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.004 -3.448 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.667 -5.099 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.767 -4.490 -4.128 1.00 0.00 H new ATOM 1192 N LYS A 79 10.498 -6.088 -0.984 1.00 0.00 N ATOM 1193 CA LYS A 79 11.275 -7.109 -0.291 1.00 0.00 C ATOM 1194 C LYS A 79 10.361 -8.065 0.469 1.00 0.00 C ATOM 1195 O LYS A 79 10.478 -9.283 0.343 1.00 0.00 O ATOM 1196 CB LYS A 79 12.266 -6.457 0.676 1.00 0.00 C ATOM 1197 CG LYS A 79 13.620 -6.165 0.054 1.00 0.00 C ATOM 1198 CD LYS A 79 13.662 -4.778 -0.565 1.00 0.00 C ATOM 1199 CE LYS A 79 14.135 -3.735 0.437 1.00 0.00 C ATOM 1200 NZ LYS A 79 15.566 -3.927 0.804 1.00 0.00 N ATOM 0 H LYS A 79 10.939 -5.169 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 79 11.828 -7.679 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.838 -5.526 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.404 -7.111 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.396 -6.249 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.840 -6.912 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.328 -4.783 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.670 -4.511 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.999 -2.739 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.519 -3.789 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.959 -3.029 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.639 -4.649 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.100 -4.237 -0.033 1.00 0.00 H new ATOM 1214 N GLY A 80 9.450 -7.504 1.259 1.00 0.00 N ATOM 1215 CA GLY A 80 8.529 -8.322 2.026 1.00 0.00 C ATOM 1216 C GLY A 80 7.407 -8.885 1.176 1.00 0.00 C ATOM 1217 O GLY A 80 6.849 -9.937 1.491 1.00 0.00 O ATOM 0 H GLY A 80 9.334 -6.498 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.076 -9.143 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.105 -7.726 2.834 1.00 0.00 H new ATOM 1221 N CYS A 81 7.075 -8.184 0.098 1.00 0.00 N ATOM 1222 CA CYS A 81 6.010 -8.619 -0.799 1.00 0.00 C ATOM 1223 C CYS A 81 6.320 -9.993 -1.385 1.00 0.00 C ATOM 1224 O CYS A 81 5.429 -10.826 -1.546 1.00 0.00 O ATOM 1225 CB CYS A 81 5.816 -7.603 -1.925 1.00 0.00 C ATOM 1226 SG CYS A 81 6.821 -7.928 -3.394 1.00 0.00 S ATOM 0 H CYS A 81 7.528 -7.312 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 81 5.089 -8.690 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.765 -7.592 -2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.054 -6.609 -1.548 1.00 0.00 H new ATOM 0 HG CYS A 81 8.077 -7.971 -3.060 1.00 0.00 H new ATOM 1232 N ALA A 82 7.590 -10.221 -1.704 1.00 0.00 N ATOM 1233 CA ALA A 82 8.018 -11.493 -2.272 1.00 0.00 C ATOM 1234 C ALA A 82 7.608 -12.659 -1.378 1.00 0.00 C ATOM 1235 O ALA A 82 7.260 -13.736 -1.865 1.00 0.00 O ATOM 1236 CB ALA A 82 9.524 -11.495 -2.487 1.00 0.00 C ATOM 0 H ALA A 82 8.340 -9.541 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 82 7.524 -11.617 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.830 -12.451 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.795 -10.691 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.028 -11.344 -1.532 1.00 0.00 H new ATOM 1242 N THR A 83 7.652 -12.438 -0.068 1.00 0.00 N ATOM 1243 CA THR A 83 7.286 -13.471 0.893 1.00 0.00 C ATOM 1244 C THR A 83 5.862 -13.962 0.659 1.00 0.00 C ATOM 1245 O THR A 83 5.528 -15.104 0.976 1.00 0.00 O ATOM 1246 CB THR A 83 7.409 -12.959 2.341 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.767 -12.603 2.621 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.943 -14.017 3.330 1.00 0.00 C ATOM 0 H THR A 83 7.937 -11.553 0.352 1.00 0.00 H new ATOM 0 HA THR A 83 7.980 -14.298 0.747 1.00 0.00 H new ATOM 0 HB THR A 83 6.774 -12.079 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.836 -12.277 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.039 -13.633 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.900 -14.265 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.556 -14.912 3.221 1.00 0.00 H new ATOM 1256 N LEU A 84 5.026 -13.092 0.102 1.00 0.00 N ATOM 1257 CA LEU A 84 3.637 -13.438 -0.176 1.00 0.00 C ATOM 1258 C LEU A 84 3.485 -13.988 -1.591 1.00 0.00 C ATOM 1259 O LEU A 84 2.408 -14.442 -1.977 1.00 0.00 O ATOM 1260 CB LEU A 84 2.740 -12.212 0.006 1.00 0.00 C ATOM 1261 CG LEU A 84 2.680 -11.627 1.417 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.237 -10.173 1.374 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.746 -12.446 2.295 1.00 0.00 C ATOM 0 H LEU A 84 5.286 -12.143 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 84 3.333 -14.212 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.082 -11.432 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.728 -12.479 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 84 3.680 -11.668 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.200 -9.774 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.945 -9.594 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.247 -10.107 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.716 -12.015 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.744 -12.438 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.108 -13.472 2.353 1.00 0.00 H new ATOM 1275 N GLN A 85 4.570 -13.946 -2.356 1.00 0.00 N ATOM 1276 CA GLN A 85 4.557 -14.442 -3.727 1.00 0.00 C ATOM 1277 C GLN A 85 3.294 -13.995 -4.456 1.00 0.00 C ATOM 1278 O GLN A 85 2.588 -14.808 -5.052 1.00 0.00 O ATOM 1279 CB GLN A 85 4.655 -15.968 -3.741 1.00 0.00 C ATOM 1280 CG GLN A 85 5.928 -16.502 -3.104 1.00 0.00 C ATOM 1281 CD GLN A 85 5.999 -18.016 -3.122 1.00 0.00 C ATOM 1282 OE1 GLN A 85 6.019 -18.636 -4.187 1.00 0.00 O ATOM 1283 NE2 GLN A 85 6.037 -18.622 -1.941 1.00 0.00 N ATOM 0 H GLN A 85 5.469 -13.574 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 85 5.420 -14.025 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.794 -16.384 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.600 -16.318 -4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.791 -16.095 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.989 -16.151 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.018 -18.070 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.085 -19.640 -1.891 1.00 0.00 H new ATOM 1292 N VAL A 86 3.016 -12.696 -4.404 1.00 0.00 N ATOM 1293 CA VAL A 86 1.838 -12.140 -5.060 1.00 0.00 C ATOM 1294 C VAL A 86 2.229 -11.091 -6.095 1.00 0.00 C ATOM 1295 O VAL A 86 3.412 -10.836 -6.317 1.00 0.00 O ATOM 1296 CB VAL A 86 0.875 -11.505 -4.040 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.247 -12.575 -3.160 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.601 -10.468 -3.196 1.00 0.00 C ATOM 0 H VAL A 86 3.590 -12.009 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 86 1.333 -12.967 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 86 0.076 -11.002 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.430 -12.107 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.309 -13.277 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.030 -13.109 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.905 -10.029 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.421 -10.945 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.998 -9.685 -3.843 1.00 0.00 H new ATOM 1308 N GLU A 87 1.226 -10.487 -6.725 1.00 0.00 N ATOM 1309 CA GLU A 87 1.466 -9.465 -7.737 1.00 0.00 C ATOM 1310 C GLU A 87 2.363 -8.358 -7.191 1.00 0.00 C ATOM 1311 O GLU A 87 2.308 -8.029 -6.006 1.00 0.00 O ATOM 1312 CB GLU A 87 0.141 -8.872 -8.219 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.882 -9.919 -8.629 1.00 0.00 C ATOM 1314 CD GLU A 87 -1.741 -10.380 -7.468 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -2.417 -9.527 -6.855 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -1.739 -11.593 -7.172 1.00 0.00 O ATOM 0 H GLU A 87 0.241 -10.688 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 87 1.972 -9.936 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.281 -8.255 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.334 -8.214 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.523 -9.510 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.366 -10.778 -9.058 1.00 0.00 H new ATOM 1323 N ILE A 88 3.188 -7.788 -8.063 1.00 0.00 N ATOM 1324 CA ILE A 88 4.095 -6.718 -7.669 1.00 0.00 C ATOM 1325 C ILE A 88 4.110 -5.600 -8.705 1.00 0.00 C ATOM 1326 O ILE A 88 3.375 -5.644 -9.693 1.00 0.00 O ATOM 1327 CB ILE A 88 5.531 -7.241 -7.474 1.00 0.00 C ATOM 1328 CG1 ILE A 88 5.953 -8.094 -8.672 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.633 -8.042 -6.185 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.449 -8.125 -8.894 1.00 0.00 C ATOM 0 H ILE A 88 3.247 -8.050 -9.047 1.00 0.00 H new ATOM 0 HA ILE A 88 3.727 -6.326 -6.721 1.00 0.00 H new ATOM 0 HB ILE A 88 6.206 -6.388 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.594 -9.113 -8.527 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.468 -7.710 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.654 -8.405 -6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.369 -7.406 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.950 -8.890 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.676 -8.748 -9.759 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.812 -7.112 -9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.939 -8.537 -8.012 1.00 0.00 H new ATOM 1342 N PHE A 89 4.952 -4.598 -8.475 1.00 0.00 N ATOM 1343 CA PHE A 89 5.063 -3.467 -9.389 1.00 0.00 C ATOM 1344 C PHE A 89 6.449 -2.835 -9.306 1.00 0.00 C ATOM 1345 O PHE A 89 7.310 -3.297 -8.556 1.00 0.00 O ATOM 1346 CB PHE A 89 3.993 -2.420 -9.071 1.00 0.00 C ATOM 1347 CG PHE A 89 3.947 -2.031 -7.621 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.915 -1.201 -7.082 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.935 -2.498 -6.798 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.875 -0.841 -5.747 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.889 -2.141 -5.463 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.861 -1.313 -4.937 1.00 0.00 C ATOM 0 H PHE A 89 5.568 -4.546 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 89 4.911 -3.835 -10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.177 -1.530 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.018 -2.807 -9.366 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.711 -0.830 -7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.174 -3.148 -7.204 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.636 -0.192 -5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.094 -2.509 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.828 -1.035 -3.894 1.00 0.00 H new ATOM 1362 N ASP A 90 6.658 -1.778 -10.083 1.00 0.00 N ATOM 1363 CA ASP A 90 7.940 -1.082 -10.098 1.00 0.00 C ATOM 1364 C ASP A 90 7.874 0.196 -9.267 1.00 0.00 C ATOM 1365 O ASP A 90 6.804 0.756 -9.028 1.00 0.00 O ATOM 1366 CB ASP A 90 8.347 -0.750 -11.535 1.00 0.00 C ATOM 1367 CG ASP A 90 9.166 -1.854 -12.174 1.00 0.00 C ATOM 1368 OD1 ASP A 90 8.606 -2.943 -12.415 1.00 0.00 O ATOM 1369 OD2 ASP A 90 10.367 -1.628 -12.433 1.00 0.00 O ATOM 0 H ASP A 90 5.957 -1.384 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 90 8.689 -1.741 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.452 -0.574 -12.132 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.922 0.176 -11.542 1.00 0.00 H new ATOM 1374 N PRO A 91 9.044 0.668 -8.814 1.00 0.00 N ATOM 1375 CA PRO A 91 9.146 1.884 -8.001 1.00 0.00 C ATOM 1376 C PRO A 91 8.836 3.144 -8.803 1.00 0.00 C ATOM 1377 O PRO A 91 8.705 4.231 -8.241 1.00 0.00 O ATOM 1378 CB PRO A 91 10.608 1.885 -7.547 1.00 0.00 C ATOM 1379 CG PRO A 91 11.329 1.098 -8.586 1.00 0.00 C ATOM 1380 CD PRO A 91 10.359 0.051 -9.060 1.00 0.00 C ATOM 0 HA PRO A 91 8.430 1.887 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.000 2.900 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.717 1.432 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.646 1.738 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.228 0.639 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.503 -0.182 -10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.474 -0.882 -8.509 1.00 0.00 H new ATOM 1388 N ASP A 92 8.721 2.990 -10.117 1.00 0.00 N ATOM 1389 CA ASP A 92 8.425 4.116 -10.995 1.00 0.00 C ATOM 1390 C ASP A 92 6.954 4.116 -11.401 1.00 0.00 C ATOM 1391 O ASP A 92 6.375 5.168 -11.671 1.00 0.00 O ATOM 1392 CB ASP A 92 9.310 4.064 -12.242 1.00 0.00 C ATOM 1393 CG ASP A 92 10.788 4.056 -11.902 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.199 3.227 -11.064 1.00 0.00 O ATOM 1395 OD2 ASP A 92 11.532 4.878 -12.475 1.00 0.00 O ATOM 0 H ASP A 92 8.828 2.097 -10.598 1.00 0.00 H new ATOM 0 HA ASP A 92 8.633 5.036 -10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.068 3.172 -12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.090 4.923 -12.876 1.00 0.00 H new ATOM 1400 N ASP A 93 6.357 2.930 -11.442 1.00 0.00 N ATOM 1401 CA ASP A 93 4.953 2.793 -11.815 1.00 0.00 C ATOM 1402 C ASP A 93 4.045 3.371 -10.734 1.00 0.00 C ATOM 1403 O ASP A 93 3.074 4.068 -11.031 1.00 0.00 O ATOM 1404 CB ASP A 93 4.609 1.323 -12.056 1.00 0.00 C ATOM 1405 CG ASP A 93 5.407 0.721 -13.196 1.00 0.00 C ATOM 1406 OD1 ASP A 93 5.884 1.489 -14.057 1.00 0.00 O ATOM 1407 OD2 ASP A 93 5.554 -0.519 -13.226 1.00 0.00 O ATOM 0 H ASP A 93 6.823 2.050 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 93 4.791 3.352 -12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.797 0.755 -11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.545 1.233 -12.274 1.00 0.00 H new ATOM 1412 N LEU A 94 4.366 3.076 -9.479 1.00 0.00 N ATOM 1413 CA LEU A 94 3.579 3.565 -8.353 1.00 0.00 C ATOM 1414 C LEU A 94 3.744 5.072 -8.186 1.00 0.00 C ATOM 1415 O LEU A 94 2.764 5.801 -8.032 1.00 0.00 O ATOM 1416 CB LEU A 94 3.995 2.850 -7.066 1.00 0.00 C ATOM 1417 CG LEU A 94 3.543 3.503 -5.759 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.035 3.705 -5.757 1.00 0.00 C ATOM 1419 CD2 LEU A 94 3.971 2.660 -4.566 1.00 0.00 C ATOM 0 H LEU A 94 5.166 2.500 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 94 2.529 3.353 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.603 1.834 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.082 2.772 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 94 4.020 4.480 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.732 4.171 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.753 4.349 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.539 2.740 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.641 3.140 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.522 1.670 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.057 2.566 -4.558 1.00 0.00 H new ATOM 1431 N TYR A 95 4.990 5.533 -8.221 1.00 0.00 N ATOM 1432 CA TYR A 95 5.283 6.953 -8.074 1.00 0.00 C ATOM 1433 C TYR A 95 4.689 7.755 -9.228 1.00 0.00 C ATOM 1434 O TYR A 95 3.780 8.562 -9.035 1.00 0.00 O ATOM 1435 CB TYR A 95 6.795 7.179 -8.006 1.00 0.00 C ATOM 1436 CG TYR A 95 7.185 8.460 -7.305 1.00 0.00 C ATOM 1437 CD1 TYR A 95 6.570 9.664 -7.624 1.00 0.00 C ATOM 1438 CD2 TYR A 95 8.170 8.467 -6.326 1.00 0.00 C ATOM 1439 CE1 TYR A 95 6.924 10.838 -6.987 1.00 0.00 C ATOM 1440 CE2 TYR A 95 8.530 9.636 -5.682 1.00 0.00 C ATOM 1441 CZ TYR A 95 7.904 10.818 -6.016 1.00 0.00 C ATOM 1442 OH TYR A 95 8.260 11.985 -5.379 1.00 0.00 O ATOM 0 H TYR A 95 5.812 4.944 -8.350 1.00 0.00 H new ATOM 0 HA TYR A 95 4.828 7.297 -7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.257 6.337 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.198 7.192 -9.019 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.802 9.683 -8.383 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.663 7.543 -6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.436 11.766 -7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.297 9.623 -4.922 1.00 0.00 H new ATOM 0 HH TYR A 95 8.963 11.798 -4.723 1.00 0.00 H new ATOM 1452 N SER A 96 5.211 7.526 -10.429 1.00 0.00 N ATOM 1453 CA SER A 96 4.735 8.228 -11.615 1.00 0.00 C ATOM 1454 C SER A 96 3.246 7.980 -11.833 1.00 0.00 C ATOM 1455 O SER A 96 2.477 8.913 -12.062 1.00 0.00 O ATOM 1456 CB SER A 96 5.523 7.781 -12.848 1.00 0.00 C ATOM 1457 OG SER A 96 6.912 8.003 -12.674 1.00 0.00 O ATOM 0 H SER A 96 5.963 6.860 -10.606 1.00 0.00 H new ATOM 0 HA SER A 96 4.889 9.296 -11.461 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.341 6.723 -13.035 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.172 8.325 -13.725 1.00 0.00 H new ATOM 0 HG SER A 96 7.327 7.199 -12.299 1.00 0.00 H new ATOM 1463 N GLY A 97 2.845 6.714 -11.758 1.00 0.00 N ATOM 1464 CA GLY A 97 1.450 6.365 -11.949 1.00 0.00 C ATOM 1465 C GLY A 97 1.175 5.808 -13.331 1.00 0.00 C ATOM 1466 O GLY A 97 0.118 6.058 -13.911 1.00 0.00 O ATOM 0 H GLY A 97 3.462 5.924 -11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.157 5.630 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.832 7.248 -11.787 1.00 0.00 H new ATOM 1470 N VAL A 98 2.130 5.052 -13.863 1.00 0.00 N ATOM 1471 CA VAL A 98 1.987 4.459 -15.187 1.00 0.00 C ATOM 1472 C VAL A 98 1.075 3.238 -15.146 1.00 0.00 C ATOM 1473 O VAL A 98 0.118 3.139 -15.913 1.00 0.00 O ATOM 1474 CB VAL A 98 3.352 4.046 -15.769 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.175 3.363 -17.116 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.266 5.256 -15.891 1.00 0.00 C ATOM 0 H VAL A 98 3.011 4.836 -13.397 1.00 0.00 H new ATOM 0 HA VAL A 98 1.543 5.221 -15.828 1.00 0.00 H new ATOM 0 HB VAL A 98 3.818 3.334 -15.087 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.150 3.079 -17.511 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.559 2.472 -16.994 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.688 4.048 -17.810 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.226 4.947 -16.304 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.808 5.993 -16.551 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.420 5.697 -14.906 1.00 0.00 H new ATOM 1486 N ASN A 99 1.378 2.309 -14.245 1.00 0.00 N ATOM 1487 CA ASN A 99 0.586 1.093 -14.103 1.00 0.00 C ATOM 1488 C ASN A 99 0.042 0.960 -12.684 1.00 0.00 C ATOM 1489 O ASN A 99 0.645 0.302 -11.836 1.00 0.00 O ATOM 1490 CB ASN A 99 1.428 -0.134 -14.456 1.00 0.00 C ATOM 1491 CG ASN A 99 1.354 -0.483 -15.930 1.00 0.00 C ATOM 1492 OD1 ASN A 99 0.277 -0.475 -16.527 1.00 0.00 O ATOM 1493 ND2 ASN A 99 2.501 -0.791 -16.524 1.00 0.00 N ATOM 0 H ASN A 99 2.167 2.375 -13.602 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.257 1.156 -14.791 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.467 0.050 -14.181 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.089 -0.986 -13.867 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.513 -1.034 -17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.370 -0.785 -15.990 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.101 1.589 -12.432 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.726 1.542 -11.115 1.00 0.00 C ATOM 1502 C PHE A 100 -2.447 0.214 -10.903 1.00 0.00 C ATOM 1503 O PHE A 100 -2.315 -0.415 -9.854 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.711 2.702 -10.953 1.00 0.00 C ATOM 1505 CG PHE A 100 -3.218 2.866 -9.549 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.344 3.151 -8.512 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.568 2.735 -9.266 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.808 3.301 -7.218 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -5.037 2.884 -7.974 1.00 0.00 C ATOM 1510 CZ PHE A 100 -4.156 3.169 -6.950 1.00 0.00 C ATOM 0 H PHE A 100 -1.614 2.137 -13.123 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.941 1.633 -10.364 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.226 3.627 -11.266 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.558 2.545 -11.621 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.289 3.257 -8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.262 2.514 -10.064 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.117 3.521 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.091 2.778 -7.766 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.521 3.289 -5.941 1.00 0.00 H new ATOM 1520 N SER A 101 -3.210 -0.205 -11.908 1.00 0.00 N ATOM 1521 CA SER A 101 -3.956 -1.456 -11.830 1.00 0.00 C ATOM 1522 C SER A 101 -3.139 -2.533 -11.123 1.00 0.00 C ATOM 1523 O SER A 101 -3.688 -3.390 -10.430 1.00 0.00 O ATOM 1524 CB SER A 101 -4.343 -1.931 -13.232 1.00 0.00 C ATOM 1525 OG SER A 101 -5.189 -0.992 -13.874 1.00 0.00 O ATOM 0 H SER A 101 -3.328 0.303 -12.785 1.00 0.00 H new ATOM 0 HA SER A 101 -4.862 -1.275 -11.252 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.444 -2.083 -13.829 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.848 -2.895 -13.166 1.00 0.00 H new ATOM 0 HG SER A 101 -5.420 -1.318 -14.769 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.824 -2.483 -11.304 1.00 0.00 N ATOM 1532 CA LYS A 102 -0.929 -3.452 -10.684 1.00 0.00 C ATOM 1533 C LYS A 102 -0.814 -3.204 -9.183 1.00 0.00 C ATOM 1534 O LYS A 102 -0.990 -4.118 -8.377 1.00 0.00 O ATOM 1535 CB LYS A 102 0.457 -3.384 -11.330 1.00 0.00 C ATOM 1536 CG LYS A 102 0.505 -3.975 -12.729 1.00 0.00 C ATOM 1537 CD LYS A 102 1.891 -3.848 -13.340 1.00 0.00 C ATOM 1538 CE LYS A 102 2.807 -4.972 -12.882 1.00 0.00 C ATOM 1539 NZ LYS A 102 4.243 -4.585 -12.962 1.00 0.00 N ATOM 0 H LYS A 102 -1.354 -1.781 -11.876 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.347 -4.446 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.778 -2.343 -11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.170 -3.912 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.218 -5.026 -12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.222 -3.469 -13.364 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.813 -3.861 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.325 -2.887 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.561 -5.245 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.634 -5.855 -13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.822 -5.297 -12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.533 -4.530 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.378 -3.658 -12.510 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.518 -1.962 -8.814 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.383 -1.593 -7.410 1.00 0.00 C ATOM 1555 C VAL A 103 -1.647 -1.931 -6.629 1.00 0.00 C ATOM 1556 O VAL A 103 -1.583 -2.351 -5.472 1.00 0.00 O ATOM 1557 CB VAL A 103 -0.080 -0.091 -7.251 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.020 0.280 -5.779 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.199 0.275 -7.989 1.00 0.00 C ATOM 0 H VAL A 103 -0.367 -1.194 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 103 0.452 -2.169 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.901 0.476 -7.690 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.234 1.345 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.924 0.055 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.821 -0.294 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.398 1.340 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.031 -0.299 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.085 0.047 -9.049 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.798 -1.745 -7.267 1.00 0.00 N ATOM 1570 CA LEU A 104 -4.080 -2.030 -6.632 1.00 0.00 C ATOM 1571 C LEU A 104 -4.242 -3.526 -6.381 1.00 0.00 C ATOM 1572 O LEU A 104 -4.689 -3.942 -5.312 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.228 -1.520 -7.504 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.610 -1.500 -6.850 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.601 -0.617 -5.611 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.662 -1.022 -7.840 1.00 0.00 C ATOM 0 H LEU A 104 -2.869 -1.398 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.105 -1.514 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.988 -0.508 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.281 -2.140 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.862 -2.516 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.593 -0.615 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.876 -1.003 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.328 0.400 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.639 -1.014 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.415 -0.015 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.687 -1.694 -8.698 1.00 0.00 H new ATOM 1588 N SER A 105 -3.874 -4.331 -7.373 1.00 0.00 N ATOM 1589 CA SER A 105 -3.980 -5.781 -7.261 1.00 0.00 C ATOM 1590 C SER A 105 -2.978 -6.322 -6.246 1.00 0.00 C ATOM 1591 O SER A 105 -3.322 -7.136 -5.388 1.00 0.00 O ATOM 1592 CB SER A 105 -3.748 -6.437 -8.623 1.00 0.00 C ATOM 1593 OG SER A 105 -2.375 -6.413 -8.973 1.00 0.00 O ATOM 0 H SER A 105 -3.500 -4.003 -8.263 1.00 0.00 H new ATOM 0 HA SER A 105 -4.986 -6.022 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.102 -7.467 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.330 -5.917 -9.384 1.00 0.00 H new ATOM 0 HG SER A 105 -2.022 -5.507 -8.850 1.00 0.00 H new ATOM 1599 N THR A 106 -1.734 -5.863 -6.348 1.00 0.00 N ATOM 1600 CA THR A 106 -0.681 -6.301 -5.441 1.00 0.00 C ATOM 1601 C THR A 106 -1.129 -6.197 -3.988 1.00 0.00 C ATOM 1602 O THR A 106 -0.985 -7.145 -3.214 1.00 0.00 O ATOM 1603 CB THR A 106 0.604 -5.472 -5.631 1.00 0.00 C ATOM 1604 OG1 THR A 106 1.184 -5.755 -6.909 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.611 -5.777 -4.533 1.00 0.00 C ATOM 0 H THR A 106 -1.432 -5.188 -7.050 1.00 0.00 H new ATOM 0 HA THR A 106 -0.471 -7.344 -5.680 1.00 0.00 H new ATOM 0 HB THR A 106 0.341 -4.416 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.653 -5.325 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.510 -5.180 -4.688 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.177 -5.534 -3.563 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.869 -6.836 -4.560 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.672 -5.041 -3.622 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.142 -4.814 -2.260 1.00 0.00 C ATOM 1615 C LEU A 107 -3.376 -5.660 -1.962 1.00 0.00 C ATOM 1616 O LEU A 107 -3.553 -6.147 -0.844 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.462 -3.333 -2.051 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.263 -2.415 -1.810 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.700 -0.958 -1.800 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.570 -2.774 -0.504 1.00 0.00 C ATOM 0 H LEU A 107 -1.798 -4.247 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.348 -5.108 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.001 -2.971 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.139 -3.244 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.553 -2.555 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.834 -0.319 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.150 -0.707 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.430 -0.802 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.281 -2.110 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.272 -2.663 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.222 -3.806 -0.549 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.226 -5.832 -2.968 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.444 -6.621 -2.815 1.00 0.00 C ATOM 1634 C LEU A 108 -5.116 -8.055 -2.410 1.00 0.00 C ATOM 1635 O LEU A 108 -5.714 -8.601 -1.483 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.245 -6.617 -4.118 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.227 -5.459 -4.298 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.724 -5.400 -5.734 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.396 -5.595 -3.333 1.00 0.00 C ATOM 0 H LEU A 108 -4.095 -5.436 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.044 -6.168 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.544 -6.605 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.801 -7.552 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.705 -4.528 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.422 -4.570 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.878 -5.254 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.229 -6.334 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.084 -4.762 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.917 -6.533 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.025 -5.587 -2.308 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.160 -8.658 -3.110 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.750 -10.026 -2.821 1.00 0.00 C ATOM 1653 C ALA A 109 -3.256 -10.159 -1.384 1.00 0.00 C ATOM 1654 O ALA A 109 -3.680 -11.053 -0.652 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.669 -10.470 -3.796 1.00 0.00 C ATOM 0 H ALA A 109 -3.656 -8.220 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.619 -10.673 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.372 -11.494 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.055 -10.422 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.804 -9.813 -3.705 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.357 -9.265 -0.987 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.805 -9.282 0.362 1.00 0.00 C ATOM 1663 C VAL A 110 -2.913 -9.344 1.408 1.00 0.00 C ATOM 1664 O VAL A 110 -2.883 -10.179 2.311 1.00 0.00 O ATOM 1665 CB VAL A 110 -0.932 -8.041 0.628 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.450 -8.027 2.071 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.244 -8.002 -0.336 1.00 0.00 C ATOM 0 H VAL A 110 -1.995 -8.519 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.185 -10.175 0.439 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.537 -7.149 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.165 -7.143 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.309 -8.005 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.140 -8.923 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.851 -7.119 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.852 -8.897 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.126 -7.962 -1.360 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.892 -8.454 1.278 1.00 0.00 N ATOM 1678 CA ASN A 111 -5.011 -8.407 2.213 1.00 0.00 C ATOM 1679 C ASN A 111 -5.743 -9.744 2.252 1.00 0.00 C ATOM 1680 O ASN A 111 -6.185 -10.192 3.310 1.00 0.00 O ATOM 1681 CB ASN A 111 -5.983 -7.292 1.821 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.392 -7.553 2.316 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.172 -8.249 1.665 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.725 -6.994 3.474 1.00 0.00 N ATOM 0 H ASN A 111 -3.933 -7.756 0.535 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.614 -8.201 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.628 -6.345 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.995 -7.189 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.660 -7.134 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.046 -6.425 3.979 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.867 -10.379 1.091 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.544 -11.667 0.992 1.00 0.00 C ATOM 1693 C LYS A 112 -5.659 -12.789 1.524 1.00 0.00 C ATOM 1694 O LYS A 112 -6.150 -13.846 1.918 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.929 -11.953 -0.462 1.00 0.00 C ATOM 1696 CG LYS A 112 -8.068 -11.087 -0.971 1.00 0.00 C ATOM 1697 CD LYS A 112 -8.904 -11.818 -2.008 1.00 0.00 C ATOM 1698 CE LYS A 112 -10.289 -11.205 -2.141 1.00 0.00 C ATOM 1699 NZ LYS A 112 -11.254 -11.801 -1.176 1.00 0.00 N ATOM 0 H LYS A 112 -5.507 -10.023 0.206 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.448 -11.622 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.056 -11.801 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.212 -13.002 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.702 -10.790 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.665 -10.173 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.397 -11.787 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.995 -12.868 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.228 -10.129 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.655 -11.351 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.186 -11.357 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.332 -12.823 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.918 -11.640 -0.205 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.351 -12.551 1.534 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.398 -13.541 2.022 1.00 0.00 C ATOM 1715 C ALA A 113 -3.189 -13.407 3.526 1.00 0.00 C ATOM 1716 O ALA A 113 -2.734 -14.342 4.187 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.072 -13.403 1.288 1.00 0.00 C ATOM 0 H ALA A 113 -3.927 -11.682 1.210 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.808 -14.532 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.370 -14.148 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.229 -13.557 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.666 -12.405 1.455 1.00 0.00 H new ATOM 1723 N THR A 114 -3.524 -12.238 4.064 1.00 0.00 N ATOM 1724 CA THR A 114 -3.371 -11.981 5.490 1.00 0.00 C ATOM 1725 C THR A 114 -4.720 -11.997 6.200 1.00 0.00 C ATOM 1726 O THR A 114 -4.787 -11.939 7.427 1.00 0.00 O ATOM 1727 CB THR A 114 -2.685 -10.626 5.747 1.00 0.00 C ATOM 1728 OG1 THR A 114 -3.311 -9.604 4.963 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.204 -10.697 5.408 1.00 0.00 C ATOM 0 H THR A 114 -3.903 -11.454 3.533 1.00 0.00 H new ATOM 0 HA THR A 114 -2.744 -12.779 5.889 1.00 0.00 H new ATOM 0 HB THR A 114 -2.788 -10.386 6.805 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.089 -9.735 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.741 -9.729 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.725 -11.456 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.084 -10.957 4.356 1.00 0.00 H new