USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 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 Set 1.1: A 99 ASN : amide:sc= 0.807 K(o=1.8,f=-1.9) USER MOD Set 1.2: A 101 SER OG : rot -75:sc= 0.967 USER MOD Single : A 10 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.52) 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+ 170:sc= 0.16 (180deg=0.133) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 110:sc= -1.94! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc=-0.00725 K(o=-0.0073,f=-0.52) USER MOD Single : A 46 CYS SG : rot 68:sc= -2.33 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.45! C(o=-3.4!,f=-19!) USER MOD Single : A 53 MET CE :methyl -155:sc=-0.00184 (180deg=-0.173) USER MOD Single : A 56 SER OG : rot 136:sc= -0.191 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 138:sc= -1.33 USER MOD Single : A 65 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -1.88 USER MOD Single : A 72 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.19) USER MOD Single : A 73 ASN : amide:sc= -3.48 K(o=-3.5,f=-13!) USER MOD Single : A 75 ASN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot -46:sc= -3.09 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 95 TYR OH : rot 174:sc= -1.1 USER MOD Single : A 96 SER OG : rot 22:sc= 0.00325 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -10:sc= 0.9 USER MOD Single : A 106 THR OG1 : rot 71:sc= 0.621 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -1:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.105 -1.876 -5.812 1.00 0.00 N ATOM 60 CA GLY A 7 -10.987 -2.223 -4.955 1.00 0.00 C ATOM 61 C GLY A 7 -10.377 -1.012 -4.279 1.00 0.00 C ATOM 62 O GLY A 7 -9.973 -1.079 -3.119 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.321 -2.929 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.223 -2.728 -5.546 1.00 0.00 H new ATOM 66 N GLU A 8 -10.309 0.099 -5.007 1.00 0.00 N ATOM 67 CA GLU A 8 -9.740 1.330 -4.470 1.00 0.00 C ATOM 68 C GLU A 8 -10.249 1.592 -3.056 1.00 0.00 C ATOM 69 O GLU A 8 -9.463 1.757 -2.124 1.00 0.00 O ATOM 70 CB GLU A 8 -10.084 2.514 -5.376 1.00 0.00 C ATOM 71 CG GLU A 8 -9.368 2.484 -6.716 1.00 0.00 C ATOM 72 CD GLU A 8 -9.993 3.420 -7.732 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.561 4.452 -7.317 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.914 3.120 -8.942 1.00 0.00 O ATOM 0 H GLU A 8 -10.640 0.172 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.657 1.214 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.160 2.528 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.832 3.441 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.323 2.756 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.381 1.467 -7.108 1.00 0.00 H new ATOM 81 N GLU A 9 -11.569 1.630 -2.906 1.00 0.00 N ATOM 82 CA GLU A 9 -12.183 1.874 -1.606 1.00 0.00 C ATOM 83 C GLU A 9 -11.785 0.793 -0.605 1.00 0.00 C ATOM 84 O GLU A 9 -11.538 1.079 0.566 1.00 0.00 O ATOM 85 CB GLU A 9 -13.706 1.927 -1.738 1.00 0.00 C ATOM 86 CG GLU A 9 -14.402 2.529 -0.528 1.00 0.00 C ATOM 87 CD GLU A 9 -14.330 4.044 -0.509 1.00 0.00 C ATOM 88 OE1 GLU A 9 -13.407 4.602 -1.138 1.00 0.00 O ATOM 89 OE2 GLU A 9 -15.196 4.671 0.136 1.00 0.00 O ATOM 0 H GLU A 9 -12.234 1.495 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.824 2.835 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.965 2.509 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.084 0.917 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.447 2.218 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.947 2.136 0.381 1.00 0.00 H new ATOM 96 N GLN A 10 -11.727 -0.448 -1.076 1.00 0.00 N ATOM 97 CA GLN A 10 -11.361 -1.572 -0.222 1.00 0.00 C ATOM 98 C GLN A 10 -9.975 -1.369 0.380 1.00 0.00 C ATOM 99 O GLN A 10 -9.774 -1.563 1.580 1.00 0.00 O ATOM 100 CB GLN A 10 -11.399 -2.878 -1.018 1.00 0.00 C ATOM 101 CG GLN A 10 -12.788 -3.484 -1.127 1.00 0.00 C ATOM 102 CD GLN A 10 -12.755 -4.965 -1.452 1.00 0.00 C ATOM 103 OE1 GLN A 10 -11.982 -5.723 -0.867 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.597 -5.384 -2.390 1.00 0.00 N ATOM 0 H GLN A 10 -11.928 -0.701 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.085 -1.629 0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.012 -2.694 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.733 -3.600 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.320 -3.334 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.350 -2.959 -1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.220 -4.720 -2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.620 -6.370 -2.651 1.00 0.00 H new ATOM 113 N ILE A 11 -9.022 -0.979 -0.459 1.00 0.00 N ATOM 114 CA ILE A 11 -7.655 -0.750 -0.009 1.00 0.00 C ATOM 115 C ILE A 11 -7.595 0.381 1.013 1.00 0.00 C ATOM 116 O ILE A 11 -6.915 0.274 2.033 1.00 0.00 O ATOM 117 CB ILE A 11 -6.723 -0.411 -1.188 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.725 -1.548 -2.211 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.311 -0.144 -0.688 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.551 -2.918 -1.593 1.00 0.00 C ATOM 0 H ILE A 11 -9.171 -0.815 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.317 -1.676 0.456 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.092 0.492 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.663 -1.525 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.925 -1.379 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.665 0.094 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.324 0.696 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.932 -1.030 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.562 -3.675 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.600 -2.960 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.365 -3.108 -0.894 1.00 0.00 H new ATOM 132 N VAL A 12 -8.313 1.463 0.732 1.00 0.00 N ATOM 133 CA VAL A 12 -8.344 2.613 1.628 1.00 0.00 C ATOM 134 C VAL A 12 -8.782 2.206 3.030 1.00 0.00 C ATOM 135 O VAL A 12 -8.032 2.355 3.996 1.00 0.00 O ATOM 136 CB VAL A 12 -9.293 3.707 1.104 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.468 4.805 2.142 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.773 4.280 -0.207 1.00 0.00 C ATOM 0 H VAL A 12 -8.881 1.568 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.330 3.010 1.668 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.268 3.258 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.142 5.569 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.888 4.380 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.500 5.254 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.456 5.052 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.786 4.714 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.705 3.485 -0.950 1.00 0.00 H new ATOM 148 N THR A 13 -10.002 1.689 3.137 1.00 0.00 N ATOM 149 CA THR A 13 -10.541 1.259 4.421 1.00 0.00 C ATOM 150 C THR A 13 -9.663 0.187 5.055 1.00 0.00 C ATOM 151 O THR A 13 -9.451 0.182 6.267 1.00 0.00 O ATOM 152 CB THR A 13 -11.974 0.713 4.275 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.801 1.677 3.613 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.567 0.378 5.635 1.00 0.00 C ATOM 0 H THR A 13 -10.636 1.558 2.349 1.00 0.00 H new ATOM 0 HA THR A 13 -10.559 2.138 5.066 1.00 0.00 H new ATOM 0 HB THR A 13 -11.932 -0.199 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.710 1.321 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.579 -0.006 5.506 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.952 -0.378 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.595 1.277 6.251 1.00 0.00 H new ATOM 162 N TRP A 14 -9.155 -0.720 4.228 1.00 0.00 N ATOM 163 CA TRP A 14 -8.299 -1.798 4.709 1.00 0.00 C ATOM 164 C TRP A 14 -7.083 -1.242 5.443 1.00 0.00 C ATOM 165 O TRP A 14 -6.845 -1.568 6.606 1.00 0.00 O ATOM 166 CB TRP A 14 -7.847 -2.677 3.542 1.00 0.00 C ATOM 167 CG TRP A 14 -6.889 -3.757 3.948 1.00 0.00 C ATOM 168 CD1 TRP A 14 -6.964 -4.542 5.063 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.713 -4.168 3.243 1.00 0.00 C ATOM 170 NE1 TRP A 14 -5.904 -5.417 5.093 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.123 -5.208 3.988 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.102 -3.761 2.054 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -3.953 -5.843 3.581 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.940 -4.392 1.652 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.375 -5.424 2.414 1.00 0.00 C ATOM 0 H TRP A 14 -9.321 -0.730 3.222 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.877 -2.403 5.408 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.722 -3.133 3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.377 -2.050 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.741 -4.484 5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.728 -6.110 5.821 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.530 -2.967 1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.517 -6.639 4.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.459 -4.085 0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.466 -5.897 2.073 1.00 0.00 H new ATOM 186 N LEU A 15 -6.318 -0.400 4.757 1.00 0.00 N ATOM 187 CA LEU A 15 -5.126 0.203 5.344 1.00 0.00 C ATOM 188 C LEU A 15 -5.440 0.815 6.705 1.00 0.00 C ATOM 189 O LEU A 15 -4.794 0.498 7.704 1.00 0.00 O ATOM 190 CB LEU A 15 -4.558 1.272 4.409 1.00 0.00 C ATOM 191 CG LEU A 15 -3.950 0.765 3.101 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.733 1.917 2.132 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.641 0.037 3.368 1.00 0.00 C ATOM 0 H LEU A 15 -6.502 -0.119 3.794 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.382 -0.581 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.355 1.975 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.793 1.830 4.950 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.648 0.061 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.300 1.537 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.688 2.395 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.055 2.645 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.223 -0.317 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.936 0.718 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.825 -0.813 4.025 1.00 0.00 H new ATOM 205 N ILE A 16 -6.437 1.693 6.737 1.00 0.00 N ATOM 206 CA ILE A 16 -6.839 2.347 7.976 1.00 0.00 C ATOM 207 C ILE A 16 -7.218 1.323 9.040 1.00 0.00 C ATOM 208 O ILE A 16 -6.644 1.303 10.129 1.00 0.00 O ATOM 209 CB ILE A 16 -8.027 3.300 7.750 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.667 4.362 6.709 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.439 3.954 9.060 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.854 5.168 6.231 1.00 0.00 C ATOM 0 H ILE A 16 -6.981 1.968 5.919 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.981 2.925 8.320 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.871 2.721 7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.926 5.039 7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.200 3.876 5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.280 4.625 8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.732 3.185 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.600 4.522 9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.523 5.901 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.587 4.502 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.309 5.683 7.077 1.00 0.00 H new ATOM 224 N SER A 17 -8.188 0.474 8.717 1.00 0.00 N ATOM 225 CA SER A 17 -8.646 -0.552 9.646 1.00 0.00 C ATOM 226 C SER A 17 -7.474 -1.144 10.424 1.00 0.00 C ATOM 227 O SER A 17 -7.554 -1.336 11.638 1.00 0.00 O ATOM 228 CB SER A 17 -9.384 -1.661 8.892 1.00 0.00 C ATOM 229 OG SER A 17 -9.904 -2.628 9.787 1.00 0.00 O ATOM 0 H SER A 17 -8.672 0.476 7.819 1.00 0.00 H new ATOM 0 HA SER A 17 -9.331 -0.085 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.196 -1.229 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.704 -2.141 8.188 1.00 0.00 H new ATOM 0 HG SER A 17 -10.372 -3.324 9.280 1.00 0.00 H new ATOM 235 N LEU A 18 -6.387 -1.429 9.716 1.00 0.00 N ATOM 236 CA LEU A 18 -5.197 -1.999 10.338 1.00 0.00 C ATOM 237 C LEU A 18 -4.586 -1.023 11.339 1.00 0.00 C ATOM 238 O LEU A 18 -4.241 -1.401 12.458 1.00 0.00 O ATOM 239 CB LEU A 18 -4.165 -2.365 9.270 1.00 0.00 C ATOM 240 CG LEU A 18 -4.431 -3.655 8.494 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.473 -3.779 7.319 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.311 -4.864 9.411 1.00 0.00 C ATOM 0 H LEU A 18 -6.305 -1.275 8.711 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.493 -2.902 10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.102 -1.543 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.189 -2.447 9.749 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.448 -3.618 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.678 -4.703 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.607 -2.930 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.447 -3.793 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.504 -5.773 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.306 -4.904 9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.038 -4.781 10.219 1.00 0.00 H new ATOM 254 N GLY A 19 -4.458 0.235 10.929 1.00 0.00 N ATOM 255 CA GLY A 19 -3.890 1.246 11.802 1.00 0.00 C ATOM 256 C GLY A 19 -2.608 1.836 11.249 1.00 0.00 C ATOM 257 O GLY A 19 -1.673 2.119 11.998 1.00 0.00 O ATOM 0 H GLY A 19 -4.737 0.572 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.618 2.043 11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.692 0.807 12.780 1.00 0.00 H new ATOM 261 N VAL A 20 -2.563 2.022 9.934 1.00 0.00 N ATOM 262 CA VAL A 20 -1.386 2.582 9.281 1.00 0.00 C ATOM 263 C VAL A 20 -1.730 3.865 8.533 1.00 0.00 C ATOM 264 O VAL A 20 -0.955 4.822 8.530 1.00 0.00 O ATOM 265 CB VAL A 20 -0.760 1.578 8.294 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.207 0.372 9.038 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.782 1.149 7.252 1.00 0.00 C ATOM 0 H VAL A 20 -3.328 1.793 9.300 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.665 2.805 10.067 1.00 0.00 H new ATOM 0 HB VAL A 20 0.067 2.068 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.231 -0.326 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.558 0.699 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.013 -0.122 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.323 0.440 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.630 0.677 7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.126 2.023 6.698 1.00 0.00 H new ATOM 277 N LEU A 21 -2.898 3.878 7.899 1.00 0.00 N ATOM 278 CA LEU A 21 -3.347 5.045 7.147 1.00 0.00 C ATOM 279 C LEU A 21 -4.250 5.929 8.002 1.00 0.00 C ATOM 280 O LEU A 21 -4.955 5.443 8.885 1.00 0.00 O ATOM 281 CB LEU A 21 -4.090 4.607 5.884 1.00 0.00 C ATOM 282 CG LEU A 21 -4.594 5.731 4.978 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.432 6.399 4.260 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.606 5.195 3.976 1.00 0.00 C ATOM 0 H LEU A 21 -3.551 3.094 7.891 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.468 5.623 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.428 3.967 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.943 3.997 6.181 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.088 6.478 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.810 7.196 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.744 6.818 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.909 5.662 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.954 6.009 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.137 4.428 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.453 4.764 4.510 1.00 0.00 H new ATOM 296 N GLU A 22 -4.223 7.231 7.731 1.00 0.00 N ATOM 297 CA GLU A 22 -5.040 8.182 8.474 1.00 0.00 C ATOM 298 C GLU A 22 -6.521 7.991 8.159 1.00 0.00 C ATOM 299 O GLU A 22 -6.883 7.573 7.059 1.00 0.00 O ATOM 300 CB GLU A 22 -4.619 9.616 8.146 1.00 0.00 C ATOM 301 CG GLU A 22 -4.771 9.974 6.678 1.00 0.00 C ATOM 302 CD GLU A 22 -3.839 11.092 6.250 1.00 0.00 C ATOM 303 OE1 GLU A 22 -2.665 10.799 5.944 1.00 0.00 O ATOM 304 OE2 GLU A 22 -4.284 12.258 6.222 1.00 0.00 O ATOM 0 H GLU A 22 -3.644 7.650 7.003 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.886 8.000 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.215 10.306 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.579 9.757 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.575 9.090 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.802 10.272 6.485 1.00 0.00 H new ATOM 436 N PRO A 31 -10.722 7.949 -4.645 1.00 0.00 N ATOM 437 CA PRO A 31 -9.671 7.203 -3.947 1.00 0.00 C ATOM 438 C PRO A 31 -8.515 6.828 -4.869 1.00 0.00 C ATOM 439 O PRO A 31 -7.431 6.476 -4.407 1.00 0.00 O ATOM 440 CB PRO A 31 -10.393 5.946 -3.456 1.00 0.00 C ATOM 441 CG PRO A 31 -11.533 5.773 -4.400 1.00 0.00 C ATOM 442 CD PRO A 31 -11.955 7.160 -4.799 1.00 0.00 C ATOM 0 HA PRO A 31 -9.218 7.790 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.733 5.079 -3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.742 6.065 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.233 5.191 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.355 5.237 -3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.325 7.188 -5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.755 7.536 -4.161 1.00 0.00 H new ATOM 450 N GLU A 32 -8.756 6.907 -6.174 1.00 0.00 N ATOM 451 CA GLU A 32 -7.735 6.575 -7.160 1.00 0.00 C ATOM 452 C GLU A 32 -6.504 7.460 -6.987 1.00 0.00 C ATOM 453 O GLU A 32 -5.384 6.966 -6.863 1.00 0.00 O ATOM 454 CB GLU A 32 -8.293 6.728 -8.576 1.00 0.00 C ATOM 455 CG GLU A 32 -7.324 6.292 -9.663 1.00 0.00 C ATOM 456 CD GLU A 32 -7.964 6.260 -11.037 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.122 7.339 -11.644 1.00 0.00 O ATOM 458 OE2 GLU A 32 -8.307 5.153 -11.504 1.00 0.00 O ATOM 0 H GLU A 32 -9.649 7.198 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.440 5.537 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.209 6.143 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.564 7.771 -8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.472 6.972 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.937 5.302 -9.423 1.00 0.00 H new ATOM 465 N GLU A 33 -6.722 8.772 -6.983 1.00 0.00 N ATOM 466 CA GLU A 33 -5.630 9.726 -6.827 1.00 0.00 C ATOM 467 C GLU A 33 -5.120 9.740 -5.389 1.00 0.00 C ATOM 468 O GLU A 33 -3.914 9.770 -5.146 1.00 0.00 O ATOM 469 CB GLU A 33 -6.088 11.129 -7.232 1.00 0.00 C ATOM 470 CG GLU A 33 -6.042 11.376 -8.730 1.00 0.00 C ATOM 471 CD GLU A 33 -4.708 11.933 -9.189 1.00 0.00 C ATOM 472 OE1 GLU A 33 -4.532 13.169 -9.136 1.00 0.00 O ATOM 473 OE2 GLU A 33 -3.841 11.135 -9.600 1.00 0.00 O ATOM 0 H GLU A 33 -7.643 9.198 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.814 9.415 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.107 11.286 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.460 11.866 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.241 10.442 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.835 12.071 -9.004 1.00 0.00 H new ATOM 480 N PHE A 34 -6.049 9.719 -4.438 1.00 0.00 N ATOM 481 CA PHE A 34 -5.695 9.731 -3.024 1.00 0.00 C ATOM 482 C PHE A 34 -4.795 8.548 -2.678 1.00 0.00 C ATOM 483 O PHE A 34 -3.815 8.692 -1.946 1.00 0.00 O ATOM 484 CB PHE A 34 -6.958 9.694 -2.160 1.00 0.00 C ATOM 485 CG PHE A 34 -6.675 9.689 -0.685 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.533 10.879 0.011 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.551 8.495 0.006 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.272 10.877 1.368 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.291 8.486 1.363 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.152 9.679 2.045 1.00 0.00 C ATOM 0 H PHE A 34 -7.052 9.694 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.149 10.652 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.578 10.558 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.536 8.806 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.627 11.819 -0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.659 7.559 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.162 11.811 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.197 7.548 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.950 9.675 3.106 1.00 0.00 H new ATOM 500 N LEU A 35 -5.134 7.379 -3.210 1.00 0.00 N ATOM 501 CA LEU A 35 -4.358 6.170 -2.958 1.00 0.00 C ATOM 502 C LEU A 35 -2.985 6.257 -3.617 1.00 0.00 C ATOM 503 O LEU A 35 -1.968 5.939 -3.001 1.00 0.00 O ATOM 504 CB LEU A 35 -5.108 4.941 -3.477 1.00 0.00 C ATOM 505 CG LEU A 35 -6.175 4.364 -2.546 1.00 0.00 C ATOM 506 CD1 LEU A 35 -7.026 3.339 -3.280 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.530 3.742 -1.316 1.00 0.00 C ATOM 0 H LEU A 35 -5.941 7.243 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.219 6.075 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.582 5.202 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.379 4.159 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.823 5.177 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.780 2.939 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.517 3.815 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.392 2.527 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.304 3.337 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.858 2.941 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.965 4.503 -0.778 1.00 0.00 H new ATOM 519 N LYS A 36 -2.964 6.692 -4.872 1.00 0.00 N ATOM 520 CA LYS A 36 -1.716 6.826 -5.615 1.00 0.00 C ATOM 521 C LYS A 36 -0.758 7.774 -4.903 1.00 0.00 C ATOM 522 O LYS A 36 0.451 7.545 -4.875 1.00 0.00 O ATOM 523 CB LYS A 36 -1.994 7.333 -7.032 1.00 0.00 C ATOM 524 CG LYS A 36 -2.778 6.352 -7.887 1.00 0.00 C ATOM 525 CD LYS A 36 -3.583 7.066 -8.959 1.00 0.00 C ATOM 526 CE LYS A 36 -2.773 7.251 -10.233 1.00 0.00 C ATOM 527 NZ LYS A 36 -3.330 8.332 -11.093 1.00 0.00 N ATOM 0 H LYS A 36 -3.797 6.958 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.249 5.843 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.546 8.271 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.046 7.552 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.091 5.647 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.448 5.771 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.485 6.495 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.905 8.039 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.741 7.487 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.756 6.315 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.662 8.543 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.236 8.022 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.481 9.187 -10.521 1.00 0.00 H new ATOM 541 N SER A 37 -1.306 8.840 -4.327 1.00 0.00 N ATOM 542 CA SER A 37 -0.498 9.825 -3.616 1.00 0.00 C ATOM 543 C SER A 37 0.035 9.248 -2.308 1.00 0.00 C ATOM 544 O SER A 37 1.171 9.516 -1.916 1.00 0.00 O ATOM 545 CB SER A 37 -1.322 11.082 -3.334 1.00 0.00 C ATOM 546 OG SER A 37 -0.699 11.890 -2.350 1.00 0.00 O ATOM 0 H SER A 37 -2.305 9.044 -4.339 1.00 0.00 H new ATOM 0 HA SER A 37 0.350 10.089 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.445 11.654 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.320 10.799 -2.998 1.00 0.00 H new ATOM 0 HG SER A 37 -1.244 12.688 -2.189 1.00 0.00 H new ATOM 552 N SER A 38 -0.794 8.454 -1.637 1.00 0.00 N ATOM 553 CA SER A 38 -0.408 7.842 -0.371 1.00 0.00 C ATOM 554 C SER A 38 0.678 6.792 -0.584 1.00 0.00 C ATOM 555 O SER A 38 1.716 6.812 0.078 1.00 0.00 O ATOM 556 CB SER A 38 -1.625 7.204 0.302 1.00 0.00 C ATOM 557 OG SER A 38 -1.346 6.876 1.653 1.00 0.00 O ATOM 0 H SER A 38 -1.736 8.220 -1.949 1.00 0.00 H new ATOM 0 HA SER A 38 -0.011 8.624 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.471 7.890 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.916 6.305 -0.241 1.00 0.00 H new ATOM 0 HG SER A 38 -1.848 7.474 2.245 1.00 0.00 H new ATOM 563 N LEU A 39 0.431 5.874 -1.513 1.00 0.00 N ATOM 564 CA LEU A 39 1.387 4.814 -1.815 1.00 0.00 C ATOM 565 C LEU A 39 2.646 5.385 -2.459 1.00 0.00 C ATOM 566 O LEU A 39 3.762 4.973 -2.138 1.00 0.00 O ATOM 567 CB LEU A 39 0.751 3.776 -2.741 1.00 0.00 C ATOM 568 CG LEU A 39 -0.628 3.262 -2.328 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.398 2.765 -3.541 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.496 2.158 -1.289 1.00 0.00 C ATOM 0 H LEU A 39 -0.423 5.843 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 39 1.667 4.332 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.671 4.209 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.426 2.924 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.184 4.088 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.377 2.403 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.524 3.582 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.846 1.953 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.487 1.804 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.079 1.332 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.015 2.547 -0.408 1.00 0.00 H new ATOM 582 N LYS A 40 2.461 6.336 -3.368 1.00 0.00 N ATOM 583 CA LYS A 40 3.582 6.966 -4.056 1.00 0.00 C ATOM 584 C LYS A 40 4.789 7.086 -3.131 1.00 0.00 C ATOM 585 O LYS A 40 5.870 6.583 -3.438 1.00 0.00 O ATOM 586 CB LYS A 40 3.179 8.351 -4.567 1.00 0.00 C ATOM 587 CG LYS A 40 4.351 9.184 -5.056 1.00 0.00 C ATOM 588 CD LYS A 40 3.977 10.650 -5.189 1.00 0.00 C ATOM 589 CE LYS A 40 5.210 11.531 -5.319 1.00 0.00 C ATOM 590 NZ LYS A 40 4.930 12.765 -6.103 1.00 0.00 N ATOM 0 H LYS A 40 1.545 6.688 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 40 3.856 6.338 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.463 8.235 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.670 8.890 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.185 9.082 -4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.690 8.805 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.338 10.786 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.398 10.959 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.567 11.805 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.009 10.968 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.795 13.338 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.614 12.505 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.185 13.315 -5.630 1.00 0.00 H new ATOM 604 N ASN A 41 4.598 7.753 -1.998 1.00 0.00 N ATOM 605 CA ASN A 41 5.672 7.938 -1.029 1.00 0.00 C ATOM 606 C ASN A 41 6.333 6.605 -0.689 1.00 0.00 C ATOM 607 O ASN A 41 7.555 6.517 -0.578 1.00 0.00 O ATOM 608 CB ASN A 41 5.131 8.591 0.245 1.00 0.00 C ATOM 609 CG ASN A 41 5.160 10.105 0.175 1.00 0.00 C ATOM 610 OD1 ASN A 41 5.130 10.688 -0.909 1.00 0.00 O ATOM 611 ND2 ASN A 41 5.218 10.750 1.334 1.00 0.00 N ATOM 0 H ASN A 41 3.709 8.175 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 41 6.421 8.592 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.107 8.257 0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.720 8.258 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.239 11.770 1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.241 10.226 2.209 1.00 0.00 H new ATOM 618 N GLY A 42 5.515 5.569 -0.526 1.00 0.00 N ATOM 619 CA GLY A 42 6.038 4.255 -0.202 1.00 0.00 C ATOM 620 C GLY A 42 6.059 3.992 1.291 1.00 0.00 C ATOM 621 O GLY A 42 5.964 2.845 1.728 1.00 0.00 O ATOM 0 H GLY A 42 4.500 5.617 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.431 3.494 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.049 4.162 -0.599 1.00 0.00 H new ATOM 625 N VAL A 43 6.184 5.057 2.077 1.00 0.00 N ATOM 626 CA VAL A 43 6.217 4.935 3.529 1.00 0.00 C ATOM 627 C VAL A 43 4.957 4.257 4.053 1.00 0.00 C ATOM 628 O VAL A 43 4.995 3.536 5.050 1.00 0.00 O ATOM 629 CB VAL A 43 6.365 6.312 4.204 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.246 7.245 3.765 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.383 6.164 5.718 1.00 0.00 C ATOM 0 H VAL A 43 6.264 6.014 1.732 1.00 0.00 H new ATOM 0 HA VAL A 43 7.084 4.322 3.776 1.00 0.00 H new ATOM 0 HB VAL A 43 7.314 6.749 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.367 8.213 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.284 7.376 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.284 6.816 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.488 7.146 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.451 5.706 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.222 5.534 6.012 1.00 0.00 H new ATOM 641 N VAL A 44 3.838 4.493 3.374 1.00 0.00 N ATOM 642 CA VAL A 44 2.565 3.903 3.770 1.00 0.00 C ATOM 643 C VAL A 44 2.582 2.389 3.594 1.00 0.00 C ATOM 644 O VAL A 44 2.044 1.651 4.420 1.00 0.00 O ATOM 645 CB VAL A 44 1.397 4.490 2.955 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.102 3.759 3.274 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.258 5.981 3.223 1.00 0.00 C ATOM 0 H VAL A 44 3.788 5.089 2.547 1.00 0.00 H new ATOM 0 HA VAL A 44 2.420 4.142 4.824 1.00 0.00 H new ATOM 0 HB VAL A 44 1.611 4.353 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.711 4.188 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.210 2.703 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.122 3.862 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.428 6.380 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.067 6.144 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.179 6.489 2.938 1.00 0.00 H new ATOM 657 N LEU A 45 3.205 1.932 2.513 1.00 0.00 N ATOM 658 CA LEU A 45 3.293 0.504 2.228 1.00 0.00 C ATOM 659 C LEU A 45 4.248 -0.187 3.197 1.00 0.00 C ATOM 660 O LEU A 45 3.983 -1.296 3.661 1.00 0.00 O ATOM 661 CB LEU A 45 3.758 0.279 0.788 1.00 0.00 C ATOM 662 CG LEU A 45 2.758 0.653 -0.306 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.485 1.009 -1.594 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.776 -0.485 -0.543 1.00 0.00 C ATOM 0 H LEU A 45 3.656 2.529 1.820 1.00 0.00 H new ATOM 0 HA LEU A 45 2.301 0.071 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.672 0.852 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.017 -0.773 0.671 1.00 0.00 H new ATOM 0 HG LEU A 45 2.197 1.527 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.757 1.273 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.147 1.856 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.072 0.154 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.072 -0.201 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.321 -1.377 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.231 -0.693 0.378 1.00 0.00 H new ATOM 676 N CYS A 46 5.358 0.478 3.499 1.00 0.00 N ATOM 677 CA CYS A 46 6.353 -0.071 4.414 1.00 0.00 C ATOM 678 C CYS A 46 5.738 -0.348 5.783 1.00 0.00 C ATOM 679 O CYS A 46 6.069 -1.338 6.435 1.00 0.00 O ATOM 680 CB CYS A 46 7.532 0.892 4.557 1.00 0.00 C ATOM 681 SG CYS A 46 8.446 1.172 3.022 1.00 0.00 S ATOM 0 H CYS A 46 5.592 1.397 3.124 1.00 0.00 H new ATOM 0 HA CYS A 46 6.712 -1.013 3.999 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.163 1.848 4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.217 0.501 5.309 1.00 0.00 H new ATOM 0 HG CYS A 46 7.697 1.824 2.184 1.00 0.00 H new ATOM 687 N LYS A 47 4.843 0.535 6.213 1.00 0.00 N ATOM 688 CA LYS A 47 4.182 0.388 7.504 1.00 0.00 C ATOM 689 C LYS A 47 3.116 -0.702 7.448 1.00 0.00 C ATOM 690 O LYS A 47 2.818 -1.345 8.456 1.00 0.00 O ATOM 691 CB LYS A 47 3.548 1.714 7.930 1.00 0.00 C ATOM 692 CG LYS A 47 4.561 2.811 8.209 1.00 0.00 C ATOM 693 CD LYS A 47 3.915 4.008 8.886 1.00 0.00 C ATOM 694 CE LYS A 47 4.950 4.882 9.578 1.00 0.00 C ATOM 695 NZ LYS A 47 4.361 5.645 10.713 1.00 0.00 N ATOM 0 H LYS A 47 4.559 1.361 5.686 1.00 0.00 H new ATOM 0 HA LYS A 47 4.934 0.100 8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.868 2.050 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.948 1.549 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.357 2.420 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.024 3.127 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.375 4.598 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.182 3.663 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.766 4.259 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.379 5.577 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.098 6.228 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.599 6.259 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.974 4.981 11.414 1.00 0.00 H new ATOM 709 N LEU A 48 2.547 -0.907 6.266 1.00 0.00 N ATOM 710 CA LEU A 48 1.515 -1.921 6.078 1.00 0.00 C ATOM 711 C LEU A 48 2.093 -3.323 6.246 1.00 0.00 C ATOM 712 O LEU A 48 1.757 -4.033 7.194 1.00 0.00 O ATOM 713 CB LEU A 48 0.880 -1.781 4.694 1.00 0.00 C ATOM 714 CG LEU A 48 -0.111 -2.875 4.296 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.337 -2.837 5.196 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.514 -2.725 2.836 1.00 0.00 C ATOM 0 H LEU A 48 2.783 -0.384 5.422 1.00 0.00 H new ATOM 0 HA LEU A 48 0.749 -1.770 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.368 -0.820 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.678 -1.754 3.952 1.00 0.00 H new ATOM 0 HG LEU A 48 0.376 -3.842 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.031 -3.623 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.034 -2.994 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.826 -1.867 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.220 -3.512 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.982 -1.752 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.371 -2.803 2.204 1.00 0.00 H new ATOM 728 N ILE A 49 2.964 -3.713 5.322 1.00 0.00 N ATOM 729 CA ILE A 49 3.590 -5.028 5.370 1.00 0.00 C ATOM 730 C ILE A 49 4.175 -5.308 6.750 1.00 0.00 C ATOM 731 O ILE A 49 4.258 -6.458 7.178 1.00 0.00 O ATOM 732 CB ILE A 49 4.705 -5.159 4.315 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.277 -6.578 4.320 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.803 -4.139 4.576 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.343 -7.608 3.723 1.00 0.00 C ATOM 0 H ILE A 49 3.252 -3.137 4.531 1.00 0.00 H new ATOM 0 HA ILE A 49 2.810 -5.758 5.154 1.00 0.00 H new ATOM 0 HB ILE A 49 4.279 -4.962 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.215 -6.585 3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.511 -6.863 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.584 -4.244 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.385 -3.134 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.229 -4.308 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.814 -8.590 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.414 -7.629 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.128 -7.347 2.687 1.00 0.00 H new ATOM 747 N ASN A 50 4.579 -4.248 7.442 1.00 0.00 N ATOM 748 CA ASN A 50 5.155 -4.379 8.775 1.00 0.00 C ATOM 749 C ASN A 50 4.113 -4.878 9.771 1.00 0.00 C ATOM 750 O ASN A 50 4.403 -5.726 10.616 1.00 0.00 O ATOM 751 CB ASN A 50 5.723 -3.037 9.242 1.00 0.00 C ATOM 752 CG ASN A 50 6.999 -2.664 8.514 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.516 -3.438 7.708 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.514 -1.472 8.794 1.00 0.00 N ATOM 0 H ASN A 50 4.518 -3.288 7.102 1.00 0.00 H new ATOM 0 HA ASN A 50 5.962 -5.110 8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.978 -2.257 9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.919 -3.082 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.371 -1.166 8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.052 -0.863 9.469 1.00 0.00 H new ATOM 761 N ARG A 51 2.899 -4.347 9.666 1.00 0.00 N ATOM 762 CA ARG A 51 1.814 -4.737 10.558 1.00 0.00 C ATOM 763 C ARG A 51 1.344 -6.157 10.253 1.00 0.00 C ATOM 764 O ARG A 51 0.980 -6.910 11.157 1.00 0.00 O ATOM 765 CB ARG A 51 0.643 -3.762 10.429 1.00 0.00 C ATOM 766 CG ARG A 51 -0.474 -4.016 11.427 1.00 0.00 C ATOM 767 CD ARG A 51 -0.222 -3.295 12.742 1.00 0.00 C ATOM 768 NE ARG A 51 -0.330 -1.845 12.600 1.00 0.00 N ATOM 769 CZ ARG A 51 -0.458 -1.014 13.628 1.00 0.00 C ATOM 770 NH1 ARG A 51 -0.492 -1.487 14.867 1.00 0.00 N ATOM 771 NH2 ARG A 51 -0.550 0.293 13.419 1.00 0.00 N ATOM 0 H ARG A 51 2.642 -3.645 8.972 1.00 0.00 H new ATOM 0 HA ARG A 51 2.190 -4.708 11.581 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.012 -2.745 10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.238 -3.826 9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.423 -3.684 11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.564 -5.087 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.938 -3.641 13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.771 -3.550 13.111 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.306 -1.449 11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.420 -2.491 15.032 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.590 -0.847 15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.522 0.661 12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.648 0.930 14.209 1.00 0.00 H new ATOM 785 N LEU A 52 1.353 -6.515 8.974 1.00 0.00 N ATOM 786 CA LEU A 52 0.927 -7.844 8.548 1.00 0.00 C ATOM 787 C LEU A 52 1.894 -8.912 9.050 1.00 0.00 C ATOM 788 O LEU A 52 1.483 -9.893 9.670 1.00 0.00 O ATOM 789 CB LEU A 52 0.828 -7.905 7.023 1.00 0.00 C ATOM 790 CG LEU A 52 -0.054 -6.844 6.364 1.00 0.00 C ATOM 791 CD1 LEU A 52 -0.004 -6.973 4.850 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.487 -6.957 6.864 1.00 0.00 C ATOM 0 H LEU A 52 1.651 -5.904 8.214 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.056 -8.039 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.833 -7.820 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.450 -8.888 6.743 1.00 0.00 H new ATOM 0 HG LEU A 52 0.329 -5.860 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.638 -6.210 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.022 -6.842 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.361 -7.960 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.101 -6.194 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.880 -7.944 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.508 -6.813 7.944 1.00 0.00 H new ATOM 804 N MET A 53 3.179 -8.713 8.779 1.00 0.00 N ATOM 805 CA MET A 53 4.205 -9.658 9.207 1.00 0.00 C ATOM 806 C MET A 53 5.195 -8.993 10.158 1.00 0.00 C ATOM 807 O MET A 53 5.673 -7.884 9.918 1.00 0.00 O ATOM 808 CB MET A 53 4.946 -10.223 7.993 1.00 0.00 C ATOM 809 CG MET A 53 4.110 -11.184 7.164 1.00 0.00 C ATOM 810 SD MET A 53 4.088 -12.853 7.847 1.00 0.00 S ATOM 811 CE MET A 53 4.552 -13.814 6.408 1.00 0.00 C ATOM 0 H MET A 53 3.535 -7.907 8.266 1.00 0.00 H new ATOM 0 HA MET A 53 3.714 -10.474 9.736 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.271 -9.398 7.360 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.845 -10.737 8.333 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.089 -10.808 7.100 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.502 -11.217 6.148 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.170 -14.830 6.510 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.131 -13.356 5.513 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.638 -13.842 6.324 1.00 0.00 H new ATOM 821 N PRO A 54 5.510 -9.684 11.263 1.00 0.00 N ATOM 822 CA PRO A 54 6.446 -9.179 12.272 1.00 0.00 C ATOM 823 C PRO A 54 7.884 -9.146 11.764 1.00 0.00 C ATOM 824 O PRO A 54 8.579 -10.161 11.772 1.00 0.00 O ATOM 825 CB PRO A 54 6.308 -10.183 13.419 1.00 0.00 C ATOM 826 CG PRO A 54 5.841 -11.439 12.768 1.00 0.00 C ATOM 827 CD PRO A 54 4.978 -11.011 11.613 1.00 0.00 C ATOM 0 HA PRO A 54 6.221 -8.151 12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.259 -10.332 13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.595 -9.835 14.166 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.685 -12.037 12.424 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.278 -12.056 13.469 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.052 -11.707 10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.926 -10.961 11.894 1.00 0.00 H new ATOM 835 N GLY A 55 8.324 -7.971 11.322 1.00 0.00 N ATOM 836 CA GLY A 55 9.677 -7.829 10.817 1.00 0.00 C ATOM 837 C GLY A 55 9.738 -7.870 9.303 1.00 0.00 C ATOM 838 O GLY A 55 10.502 -8.644 8.727 1.00 0.00 O ATOM 0 H GLY A 55 7.768 -7.116 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.096 -6.886 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.299 -8.626 11.224 1.00 0.00 H new ATOM 842 N SER A 56 8.929 -7.037 8.657 1.00 0.00 N ATOM 843 CA SER A 56 8.890 -6.985 7.200 1.00 0.00 C ATOM 844 C SER A 56 9.925 -6.001 6.663 1.00 0.00 C ATOM 845 O SER A 56 10.829 -6.379 5.918 1.00 0.00 O ATOM 846 CB SER A 56 7.493 -6.585 6.720 1.00 0.00 C ATOM 847 OG SER A 56 6.502 -7.434 7.273 1.00 0.00 O ATOM 0 H SER A 56 8.292 -6.389 9.119 1.00 0.00 H new ATOM 0 HA SER A 56 9.127 -7.979 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.290 -5.552 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.451 -6.633 5.632 1.00 0.00 H new ATOM 0 HG SER A 56 5.744 -6.895 7.580 1.00 0.00 H new ATOM 853 N VAL A 57 9.786 -4.737 7.048 1.00 0.00 N ATOM 854 CA VAL A 57 10.709 -3.698 6.608 1.00 0.00 C ATOM 855 C VAL A 57 11.694 -3.333 7.713 1.00 0.00 C ATOM 856 O VAL A 57 11.299 -3.064 8.846 1.00 0.00 O ATOM 857 CB VAL A 57 9.956 -2.428 6.167 1.00 0.00 C ATOM 858 CG1 VAL A 57 10.937 -1.319 5.818 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.042 -2.733 4.990 1.00 0.00 C ATOM 0 H VAL A 57 9.043 -4.407 7.664 1.00 0.00 H new ATOM 0 HA VAL A 57 11.256 -4.102 5.756 1.00 0.00 H new ATOM 0 HB VAL A 57 9.339 -2.085 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.387 -0.430 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.546 -1.083 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.583 -1.647 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.518 -1.825 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.636 -3.101 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.316 -3.492 5.280 1.00 0.00 H new ATOM 869 N GLU A 58 12.980 -3.326 7.373 1.00 0.00 N ATOM 870 CA GLU A 58 14.022 -2.995 8.338 1.00 0.00 C ATOM 871 C GLU A 58 13.934 -1.528 8.751 1.00 0.00 C ATOM 872 O GLU A 58 13.638 -1.213 9.904 1.00 0.00 O ATOM 873 CB GLU A 58 15.404 -3.289 7.750 1.00 0.00 C ATOM 874 CG GLU A 58 16.452 -3.626 8.798 1.00 0.00 C ATOM 875 CD GLU A 58 16.897 -2.411 9.589 1.00 0.00 C ATOM 876 OE1 GLU A 58 17.386 -1.445 8.967 1.00 0.00 O ATOM 877 OE2 GLU A 58 16.756 -2.426 10.830 1.00 0.00 O ATOM 0 H GLU A 58 13.324 -3.545 6.438 1.00 0.00 H new ATOM 0 HA GLU A 58 13.873 -3.613 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.322 -4.120 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.739 -2.423 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.049 -4.373 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.317 -4.074 8.310 1.00 0.00 H new ATOM 884 N LYS A 59 14.195 -0.636 7.802 1.00 0.00 N ATOM 885 CA LYS A 59 14.146 0.798 8.065 1.00 0.00 C ATOM 886 C LYS A 59 13.753 1.568 6.808 1.00 0.00 C ATOM 887 O LYS A 59 14.487 1.579 5.820 1.00 0.00 O ATOM 888 CB LYS A 59 15.502 1.291 8.574 1.00 0.00 C ATOM 889 CG LYS A 59 15.835 0.812 9.977 1.00 0.00 C ATOM 890 CD LYS A 59 15.041 1.570 11.028 1.00 0.00 C ATOM 891 CE LYS A 59 15.113 0.883 12.383 1.00 0.00 C ATOM 892 NZ LYS A 59 14.191 1.508 13.371 1.00 0.00 N ATOM 0 H LYS A 59 14.443 -0.880 6.843 1.00 0.00 H new ATOM 0 HA LYS A 59 13.391 0.976 8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.281 0.956 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.512 2.381 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.623 -0.254 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.901 0.940 10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.425 2.586 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.000 1.648 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.863 -0.172 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.135 0.929 12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.270 1.012 14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.446 2.508 13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.213 1.441 13.024 1.00 0.00 H new ATOM 906 N PHE A 60 12.591 2.211 6.854 1.00 0.00 N ATOM 907 CA PHE A 60 12.100 2.984 5.719 1.00 0.00 C ATOM 908 C PHE A 60 12.111 4.477 6.032 1.00 0.00 C ATOM 909 O PHE A 60 12.527 4.892 7.115 1.00 0.00 O ATOM 910 CB PHE A 60 10.684 2.541 5.346 1.00 0.00 C ATOM 911 CG PHE A 60 9.709 2.626 6.486 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.767 1.720 7.533 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.737 3.613 6.510 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.870 1.796 8.582 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.838 3.694 7.558 1.00 0.00 C ATOM 916 CZ PHE A 60 7.906 2.785 8.595 1.00 0.00 C ATOM 0 H PHE A 60 11.972 2.212 7.665 1.00 0.00 H new ATOM 0 HA PHE A 60 12.764 2.802 4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.324 3.159 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.717 1.514 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.521 0.947 7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.681 4.327 5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.923 1.082 9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.084 4.467 7.565 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.206 2.847 9.415 1.00 0.00 H new ATOM 926 N CYS A 61 11.653 5.280 5.078 1.00 0.00 N ATOM 927 CA CYS A 61 11.612 6.727 5.251 1.00 0.00 C ATOM 928 C CYS A 61 10.205 7.191 5.613 1.00 0.00 C ATOM 929 O CYS A 61 9.275 7.075 4.813 1.00 0.00 O ATOM 930 CB CYS A 61 12.080 7.428 3.974 1.00 0.00 C ATOM 931 SG CYS A 61 12.705 9.104 4.239 1.00 0.00 S ATOM 0 H CYS A 61 11.305 4.953 4.177 1.00 0.00 H new ATOM 0 HA CYS A 61 12.284 6.990 6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.863 6.829 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.249 7.469 3.269 1.00 0.00 H new ATOM 0 HG CYS A 61 13.776 9.286 3.525 1.00 0.00 H new ATOM 937 N LEU A 62 10.054 7.716 6.824 1.00 0.00 N ATOM 938 CA LEU A 62 8.759 8.197 7.294 1.00 0.00 C ATOM 939 C LEU A 62 8.307 9.414 6.494 1.00 0.00 C ATOM 940 O LEU A 62 7.181 9.461 6.000 1.00 0.00 O ATOM 941 CB LEU A 62 8.833 8.548 8.781 1.00 0.00 C ATOM 942 CG LEU A 62 8.789 7.368 9.752 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.824 7.859 11.191 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.550 6.520 9.506 1.00 0.00 C ATOM 0 H LEU A 62 10.812 7.820 7.498 1.00 0.00 H new ATOM 0 HA LEU A 62 8.029 7.400 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.754 9.104 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.006 9.218 9.017 1.00 0.00 H new ATOM 0 HG LEU A 62 9.669 6.748 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.792 7.005 11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.741 8.422 11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.964 8.502 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.536 5.685 10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.658 7.129 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.568 6.137 8.486 1.00 0.00 H new ATOM 956 N ASP A 63 9.194 10.396 6.369 1.00 0.00 N ATOM 957 CA ASP A 63 8.887 11.613 5.626 1.00 0.00 C ATOM 958 C ASP A 63 9.965 11.899 4.585 1.00 0.00 C ATOM 959 O ASP A 63 10.926 12.626 4.835 1.00 0.00 O ATOM 960 CB ASP A 63 8.755 12.800 6.581 1.00 0.00 C ATOM 961 CG ASP A 63 7.465 12.762 7.376 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.949 11.650 7.617 1.00 0.00 O ATOM 963 OD2 ASP A 63 6.970 13.843 7.758 1.00 0.00 O ATOM 0 H ASP A 63 10.131 10.373 6.772 1.00 0.00 H new ATOM 0 HA ASP A 63 7.938 11.465 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.602 12.806 7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.800 13.728 6.011 1.00 0.00 H new ATOM 968 N PRO A 64 9.803 11.315 3.388 1.00 0.00 N ATOM 969 CA PRO A 64 10.752 11.492 2.285 1.00 0.00 C ATOM 970 C PRO A 64 10.715 12.904 1.710 1.00 0.00 C ATOM 971 O PRO A 64 9.819 13.245 0.938 1.00 0.00 O ATOM 972 CB PRO A 64 10.278 10.477 1.242 1.00 0.00 C ATOM 973 CG PRO A 64 8.829 10.286 1.531 1.00 0.00 C ATOM 974 CD PRO A 64 8.680 10.436 3.020 1.00 0.00 C ATOM 0 HA PRO A 64 11.783 11.343 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.434 10.848 0.229 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.826 9.538 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.225 11.023 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.492 9.303 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.720 10.878 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.739 9.474 3.529 1.00 0.00 H new ATOM 982 N GLN A 65 11.693 13.719 2.090 1.00 0.00 N ATOM 983 CA GLN A 65 11.771 15.094 1.611 1.00 0.00 C ATOM 984 C GLN A 65 12.018 15.133 0.107 1.00 0.00 C ATOM 985 O GLN A 65 11.562 16.045 -0.585 1.00 0.00 O ATOM 986 CB GLN A 65 12.882 15.849 2.343 1.00 0.00 C ATOM 987 CG GLN A 65 12.456 16.397 3.696 1.00 0.00 C ATOM 988 CD GLN A 65 11.500 17.567 3.577 1.00 0.00 C ATOM 989 OE1 GLN A 65 10.411 17.555 4.152 1.00 0.00 O ATOM 990 NE2 GLN A 65 11.903 18.588 2.829 1.00 0.00 N ATOM 0 H GLN A 65 12.442 13.451 2.728 1.00 0.00 H new ATOM 0 HA GLN A 65 10.816 15.579 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.733 15.182 2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.223 16.674 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.982 15.603 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.340 16.710 4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.814 18.556 2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.302 19.404 2.713 1.00 0.00 H new ATOM 999 N THR A 66 12.744 14.139 -0.395 1.00 0.00 N ATOM 1000 CA THR A 66 13.054 14.060 -1.817 1.00 0.00 C ATOM 1001 C THR A 66 12.650 12.708 -2.393 1.00 0.00 C ATOM 1002 O THR A 66 12.257 11.803 -1.659 1.00 0.00 O ATOM 1003 CB THR A 66 14.554 14.290 -2.078 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.327 13.281 -1.419 1.00 0.00 O ATOM 1005 CG2 THR A 66 14.984 15.665 -1.590 1.00 0.00 C ATOM 0 H THR A 66 13.129 13.377 0.163 1.00 0.00 H new ATOM 0 HA THR A 66 12.483 14.847 -2.310 1.00 0.00 H new ATOM 0 HB THR A 66 14.725 14.234 -3.153 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.280 13.434 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.047 15.804 -1.785 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.415 16.432 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.798 15.745 -0.519 1.00 0.00 H new ATOM 1013 N GLU A 67 12.750 12.579 -3.713 1.00 0.00 N ATOM 1014 CA GLU A 67 12.395 11.336 -4.387 1.00 0.00 C ATOM 1015 C GLU A 67 13.218 10.169 -3.847 1.00 0.00 C ATOM 1016 O GLU A 67 12.668 9.173 -3.377 1.00 0.00 O ATOM 1017 CB GLU A 67 12.609 11.469 -5.896 1.00 0.00 C ATOM 1018 CG GLU A 67 12.494 10.152 -6.646 1.00 0.00 C ATOM 1019 CD GLU A 67 13.814 9.412 -6.731 1.00 0.00 C ATOM 1020 OE1 GLU A 67 14.595 9.699 -7.663 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.067 8.546 -5.867 1.00 0.00 O ATOM 0 H GLU A 67 13.074 13.319 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 67 11.341 11.136 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.878 12.171 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.595 11.896 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.758 9.519 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.123 10.343 -7.653 1.00 0.00 H new ATOM 1028 N ALA A 68 14.538 10.302 -3.917 1.00 0.00 N ATOM 1029 CA ALA A 68 15.437 9.261 -3.434 1.00 0.00 C ATOM 1030 C ALA A 68 14.906 8.629 -2.152 1.00 0.00 C ATOM 1031 O ALA A 68 15.015 7.418 -1.954 1.00 0.00 O ATOM 1032 CB ALA A 68 16.830 9.829 -3.207 1.00 0.00 C ATOM 0 H ALA A 68 15.009 11.120 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 68 15.494 8.483 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.490 9.040 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.218 10.227 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.781 10.628 -2.467 1.00 0.00 H new ATOM 1038 N ASP A 69 14.334 9.455 -1.284 1.00 0.00 N ATOM 1039 CA ASP A 69 13.786 8.976 -0.020 1.00 0.00 C ATOM 1040 C ASP A 69 12.549 8.114 -0.255 1.00 0.00 C ATOM 1041 O ASP A 69 12.369 7.081 0.391 1.00 0.00 O ATOM 1042 CB ASP A 69 13.434 10.156 0.888 1.00 0.00 C ATOM 1043 CG ASP A 69 14.664 10.886 1.391 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.705 10.226 1.592 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.585 12.117 1.583 1.00 0.00 O ATOM 0 H ASP A 69 14.237 10.460 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 69 14.546 8.365 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.799 10.854 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.855 9.796 1.739 1.00 0.00 H new ATOM 1050 N CYS A 70 11.702 8.545 -1.183 1.00 0.00 N ATOM 1051 CA CYS A 70 10.481 7.813 -1.502 1.00 0.00 C ATOM 1052 C CYS A 70 10.806 6.432 -2.060 1.00 0.00 C ATOM 1053 O CYS A 70 10.423 5.413 -1.484 1.00 0.00 O ATOM 1054 CB CYS A 70 9.640 8.599 -2.509 1.00 0.00 C ATOM 1055 SG CYS A 70 8.640 9.912 -1.771 1.00 0.00 S ATOM 0 H CYS A 70 11.838 9.397 -1.727 1.00 0.00 H new ATOM 0 HA CYS A 70 9.910 7.688 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.302 9.038 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.981 7.907 -3.034 1.00 0.00 H new ATOM 0 HG CYS A 70 7.967 10.520 -2.702 1.00 0.00 H new ATOM 1061 N ILE A 71 11.512 6.405 -3.185 1.00 0.00 N ATOM 1062 CA ILE A 71 11.888 5.148 -3.822 1.00 0.00 C ATOM 1063 C ILE A 71 12.328 4.118 -2.787 1.00 0.00 C ATOM 1064 O ILE A 71 11.928 2.956 -2.844 1.00 0.00 O ATOM 1065 CB ILE A 71 13.023 5.351 -4.843 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.578 6.311 -5.948 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.449 4.016 -5.433 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.384 5.817 -6.733 1.00 0.00 C ATOM 0 H ILE A 71 11.836 7.239 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 71 11.004 4.781 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 71 13.880 5.789 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.336 7.276 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.410 6.475 -6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.252 4.176 -6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.802 3.362 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.599 3.552 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.124 6.548 -7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.628 4.866 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.537 5.680 -6.060 1.00 0.00 H new ATOM 1080 N ASN A 72 13.153 4.554 -1.840 1.00 0.00 N ATOM 1081 CA ASN A 72 13.648 3.670 -0.791 1.00 0.00 C ATOM 1082 C ASN A 72 12.494 2.952 -0.097 1.00 0.00 C ATOM 1083 O ASN A 72 12.568 1.754 0.173 1.00 0.00 O ATOM 1084 CB ASN A 72 14.459 4.465 0.234 1.00 0.00 C ATOM 1085 CG ASN A 72 15.921 4.582 -0.150 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.587 3.580 -0.411 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.427 5.809 -0.187 1.00 0.00 N ATOM 0 H ASN A 72 13.493 5.514 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 72 14.293 2.923 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.032 5.463 0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.380 3.983 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.405 5.950 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.838 6.611 0.037 1.00 0.00 H new ATOM 1094 N ASN A 73 11.428 3.693 0.188 1.00 0.00 N ATOM 1095 CA ASN A 73 10.259 3.127 0.850 1.00 0.00 C ATOM 1096 C ASN A 73 9.604 2.059 -0.021 1.00 0.00 C ATOM 1097 O ASN A 73 9.480 0.903 0.384 1.00 0.00 O ATOM 1098 CB ASN A 73 9.248 4.228 1.174 1.00 0.00 C ATOM 1099 CG ASN A 73 9.877 5.391 1.917 1.00 0.00 C ATOM 1100 OD1 ASN A 73 11.082 5.401 2.170 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.062 6.378 2.269 1.00 0.00 N ATOM 0 H ASN A 73 11.350 4.687 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 73 10.588 2.661 1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.801 4.591 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.441 3.810 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.428 7.187 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.070 6.327 2.038 1.00 0.00 H new ATOM 1108 N ILE A 74 9.186 2.455 -1.219 1.00 0.00 N ATOM 1109 CA ILE A 74 8.545 1.533 -2.147 1.00 0.00 C ATOM 1110 C ILE A 74 9.293 0.205 -2.207 1.00 0.00 C ATOM 1111 O ILE A 74 8.703 -0.860 -2.029 1.00 0.00 O ATOM 1112 CB ILE A 74 8.464 2.127 -3.566 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.648 3.422 -3.554 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.855 1.119 -4.529 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.871 4.288 -4.773 1.00 0.00 C ATOM 0 H ILE A 74 9.280 3.408 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 74 7.535 1.363 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 74 9.474 2.359 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.589 3.174 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.902 3.993 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.805 1.554 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.473 0.221 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.850 0.858 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.261 5.188 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.923 4.567 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.590 3.734 -5.669 1.00 0.00 H new ATOM 1127 N ASN A 75 10.597 0.277 -2.457 1.00 0.00 N ATOM 1128 CA ASN A 75 11.426 -0.919 -2.539 1.00 0.00 C ATOM 1129 C ASN A 75 11.312 -1.749 -1.264 1.00 0.00 C ATOM 1130 O ASN A 75 11.136 -2.966 -1.316 1.00 0.00 O ATOM 1131 CB ASN A 75 12.887 -0.536 -2.783 1.00 0.00 C ATOM 1132 CG ASN A 75 13.213 -0.406 -4.259 1.00 0.00 C ATOM 1133 OD1 ASN A 75 13.761 -1.325 -4.868 1.00 0.00 O ATOM 1134 ND2 ASN A 75 12.874 0.739 -4.840 1.00 0.00 N ATOM 0 H ASN A 75 11.101 1.151 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 75 11.070 -1.521 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.101 0.408 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.536 -1.288 -2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.066 0.885 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.421 1.473 -4.295 1.00 0.00 H new ATOM 1141 N ASP A 76 11.413 -1.081 -0.120 1.00 0.00 N ATOM 1142 CA ASP A 76 11.320 -1.755 1.170 1.00 0.00 C ATOM 1143 C ASP A 76 10.051 -2.597 1.252 1.00 0.00 C ATOM 1144 O ASP A 76 10.095 -3.772 1.617 1.00 0.00 O ATOM 1145 CB ASP A 76 11.344 -0.733 2.307 1.00 0.00 C ATOM 1146 CG ASP A 76 12.723 -0.143 2.527 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.712 -0.898 2.434 1.00 0.00 O ATOM 1148 OD2 ASP A 76 12.813 1.074 2.793 1.00 0.00 O ATOM 0 H ASP A 76 11.559 -0.073 -0.060 1.00 0.00 H new ATOM 0 HA ASP A 76 12.181 -2.416 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.640 0.069 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.005 -1.209 3.227 1.00 0.00 H new ATOM 1153 N PHE A 77 8.920 -1.988 0.913 1.00 0.00 N ATOM 1154 CA PHE A 77 7.637 -2.680 0.950 1.00 0.00 C ATOM 1155 C PHE A 77 7.705 -3.994 0.177 1.00 0.00 C ATOM 1156 O PHE A 77 7.246 -5.033 0.653 1.00 0.00 O ATOM 1157 CB PHE A 77 6.536 -1.791 0.370 1.00 0.00 C ATOM 1158 CG PHE A 77 5.362 -2.561 -0.165 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.588 -3.342 0.678 1.00 0.00 C ATOM 1160 CD2 PHE A 77 5.034 -2.504 -1.510 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.507 -4.052 0.189 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.954 -3.211 -2.004 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.190 -3.987 -1.154 1.00 0.00 C ATOM 0 H PHE A 77 8.866 -1.016 0.609 1.00 0.00 H new ATOM 0 HA PHE A 77 7.403 -2.903 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.189 -1.106 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.956 -1.182 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.832 -3.397 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.629 -1.901 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.911 -4.657 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.707 -3.157 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.347 -4.542 -1.539 1.00 0.00 H new ATOM 1173 N LEU A 78 8.281 -3.940 -1.019 1.00 0.00 N ATOM 1174 CA LEU A 78 8.410 -5.125 -1.860 1.00 0.00 C ATOM 1175 C LEU A 78 9.168 -6.230 -1.132 1.00 0.00 C ATOM 1176 O LEU A 78 8.726 -7.378 -1.091 1.00 0.00 O ATOM 1177 CB LEU A 78 9.128 -4.773 -3.165 1.00 0.00 C ATOM 1178 CG LEU A 78 8.470 -3.691 -4.021 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.430 -3.205 -5.097 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.185 -4.213 -4.647 1.00 0.00 C ATOM 0 H LEU A 78 8.666 -3.089 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 78 7.408 -5.488 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.141 -4.451 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.215 -5.679 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 78 8.220 -2.848 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.945 -2.435 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.323 -2.791 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.711 -4.041 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.731 -3.429 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.411 -5.073 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.492 -4.511 -3.860 1.00 0.00 H new ATOM 1192 N LYS A 79 10.312 -5.876 -0.556 1.00 0.00 N ATOM 1193 CA LYS A 79 11.131 -6.835 0.175 1.00 0.00 C ATOM 1194 C LYS A 79 10.258 -7.850 0.906 1.00 0.00 C ATOM 1195 O LYS A 79 10.617 -9.021 1.025 1.00 0.00 O ATOM 1196 CB LYS A 79 12.034 -6.109 1.175 1.00 0.00 C ATOM 1197 CG LYS A 79 12.931 -5.064 0.536 1.00 0.00 C ATOM 1198 CD LYS A 79 13.925 -4.497 1.536 1.00 0.00 C ATOM 1199 CE LYS A 79 15.040 -5.487 1.836 1.00 0.00 C ATOM 1200 NZ LYS A 79 16.023 -4.937 2.810 1.00 0.00 N ATOM 0 H LYS A 79 10.693 -4.930 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 79 11.752 -7.368 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.413 -5.629 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.654 -6.842 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.469 -5.508 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.320 -4.257 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.352 -3.574 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.407 -4.240 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.611 -6.407 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.553 -5.748 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.767 -5.642 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.451 -4.073 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.539 -4.712 3.702 1.00 0.00 H new ATOM 1214 N GLY A 80 9.108 -7.394 1.393 1.00 0.00 N ATOM 1215 CA GLY A 80 8.201 -8.275 2.105 1.00 0.00 C ATOM 1216 C GLY A 80 7.196 -8.939 1.184 1.00 0.00 C ATOM 1217 O GLY A 80 6.907 -10.128 1.324 1.00 0.00 O ATOM 0 H GLY A 80 8.788 -6.429 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.776 -9.042 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.670 -7.705 2.867 1.00 0.00 H new ATOM 1221 N CYS A 81 6.661 -8.169 0.243 1.00 0.00 N ATOM 1222 CA CYS A 81 5.679 -8.689 -0.702 1.00 0.00 C ATOM 1223 C CYS A 81 6.134 -10.025 -1.279 1.00 0.00 C ATOM 1224 O CYS A 81 5.326 -10.930 -1.488 1.00 0.00 O ATOM 1225 CB CYS A 81 5.447 -7.684 -1.832 1.00 0.00 C ATOM 1226 SG CYS A 81 6.687 -7.753 -3.146 1.00 0.00 S ATOM 0 H CYS A 81 6.890 -7.184 0.114 1.00 0.00 H new ATOM 0 HA CYS A 81 4.743 -8.846 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.463 -7.862 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.433 -6.678 -1.412 1.00 0.00 H new ATOM 0 HG CYS A 81 7.875 -7.804 -2.620 1.00 0.00 H new ATOM 1232 N ALA A 82 7.433 -10.142 -1.535 1.00 0.00 N ATOM 1233 CA ALA A 82 7.996 -11.368 -2.087 1.00 0.00 C ATOM 1234 C ALA A 82 7.546 -12.587 -1.288 1.00 0.00 C ATOM 1235 O ALA A 82 7.132 -13.597 -1.857 1.00 0.00 O ATOM 1236 CB ALA A 82 9.515 -11.285 -2.117 1.00 0.00 C ATOM 0 H ALA A 82 8.115 -9.402 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 82 7.629 -11.480 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.922 -12.207 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.821 -10.443 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.892 -11.146 -1.104 1.00 0.00 H new ATOM 1242 N THR A 83 7.631 -12.485 0.035 1.00 0.00 N ATOM 1243 CA THR A 83 7.235 -13.580 0.912 1.00 0.00 C ATOM 1244 C THR A 83 5.865 -14.125 0.526 1.00 0.00 C ATOM 1245 O THR A 83 5.642 -15.337 0.535 1.00 0.00 O ATOM 1246 CB THR A 83 7.202 -13.135 2.386 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.480 -12.616 2.770 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.826 -14.296 3.294 1.00 0.00 C ATOM 0 H THR A 83 7.970 -11.656 0.522 1.00 0.00 H new ATOM 0 HA THR A 83 7.982 -14.365 0.794 1.00 0.00 H new ATOM 0 HB THR A 83 6.448 -12.355 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.450 -12.334 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.809 -13.957 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.840 -14.669 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.559 -15.095 3.185 1.00 0.00 H new ATOM 1256 N LEU A 84 4.949 -13.224 0.188 1.00 0.00 N ATOM 1257 CA LEU A 84 3.598 -13.615 -0.202 1.00 0.00 C ATOM 1258 C LEU A 84 3.594 -14.251 -1.588 1.00 0.00 C ATOM 1259 O LEU A 84 2.699 -15.026 -1.923 1.00 0.00 O ATOM 1260 CB LEU A 84 2.669 -12.401 -0.183 1.00 0.00 C ATOM 1261 CG LEU A 84 2.560 -11.660 1.151 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.087 -10.231 0.930 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.620 -12.396 2.094 1.00 0.00 C ATOM 0 H LEU A 84 5.117 -12.218 0.176 1.00 0.00 H new ATOM 0 HA LEU A 84 3.238 -14.351 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.010 -11.696 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.671 -12.727 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 84 3.549 -11.627 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.015 -9.719 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.798 -9.707 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.108 -10.242 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.554 -11.855 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.630 -12.461 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.002 -13.400 2.277 1.00 0.00 H new ATOM 1275 N GLN A 85 4.603 -13.920 -2.389 1.00 0.00 N ATOM 1276 CA GLN A 85 4.716 -14.460 -3.738 1.00 0.00 C ATOM 1277 C GLN A 85 3.499 -14.084 -4.578 1.00 0.00 C ATOM 1278 O GLN A 85 2.964 -14.909 -5.318 1.00 0.00 O ATOM 1279 CB GLN A 85 4.867 -15.981 -3.690 1.00 0.00 C ATOM 1280 CG GLN A 85 6.149 -16.444 -3.017 1.00 0.00 C ATOM 1281 CD GLN A 85 6.350 -17.943 -3.114 1.00 0.00 C ATOM 1282 OE1 GLN A 85 6.243 -18.527 -4.193 1.00 0.00 O ATOM 1283 NE2 GLN A 85 6.644 -18.576 -1.984 1.00 0.00 N ATOM 0 H GLN A 85 5.353 -13.281 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 85 5.603 -14.029 -4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.014 -16.406 -3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.838 -16.373 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.999 -15.937 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.130 -16.151 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.723 -18.053 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.791 -19.585 -1.988 1.00 0.00 H new ATOM 1292 N VAL A 86 3.067 -12.833 -4.459 1.00 0.00 N ATOM 1293 CA VAL A 86 1.914 -12.347 -5.208 1.00 0.00 C ATOM 1294 C VAL A 86 2.334 -11.333 -6.266 1.00 0.00 C ATOM 1295 O VAL A 86 3.498 -10.941 -6.336 1.00 0.00 O ATOM 1296 CB VAL A 86 0.872 -11.699 -4.276 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.324 -12.723 -3.295 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.480 -10.515 -3.540 1.00 0.00 C ATOM 0 H VAL A 86 3.498 -12.137 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 86 1.466 -13.212 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 86 0.044 -11.334 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.410 -12.247 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.150 -13.536 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.139 -13.121 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.730 -10.069 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.327 -10.854 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.819 -9.773 -4.262 1.00 0.00 H new ATOM 1308 N GLU A 87 1.377 -10.912 -7.087 1.00 0.00 N ATOM 1309 CA GLU A 87 1.648 -9.943 -8.142 1.00 0.00 C ATOM 1310 C GLU A 87 2.313 -8.692 -7.574 1.00 0.00 C ATOM 1311 O GLU A 87 1.863 -8.138 -6.572 1.00 0.00 O ATOM 1312 CB GLU A 87 0.352 -9.563 -8.861 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.653 -8.854 -7.970 1.00 0.00 C ATOM 1314 CD GLU A 87 -2.085 -9.065 -8.423 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -2.316 -9.138 -9.648 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -2.975 -9.157 -7.551 1.00 0.00 O ATOM 0 H GLU A 87 0.408 -11.227 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 87 2.330 -10.404 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.591 -8.920 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.107 -10.465 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.543 -9.213 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.433 -7.786 -7.958 1.00 0.00 H new ATOM 1323 N ILE A 88 3.387 -8.254 -8.223 1.00 0.00 N ATOM 1324 CA ILE A 88 4.114 -7.070 -7.783 1.00 0.00 C ATOM 1325 C ILE A 88 4.219 -6.042 -8.905 1.00 0.00 C ATOM 1326 O ILE A 88 3.704 -6.251 -10.003 1.00 0.00 O ATOM 1327 CB ILE A 88 5.531 -7.427 -7.296 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.306 -8.151 -8.398 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.458 -8.285 -6.041 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.802 -7.941 -8.323 1.00 0.00 C ATOM 0 H ILE A 88 3.772 -8.701 -9.055 1.00 0.00 H new ATOM 0 HA ILE A 88 3.550 -6.644 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 88 6.059 -6.505 -7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.094 -9.219 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.947 -7.808 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.467 -8.530 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.940 -7.736 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.915 -9.205 -6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.287 -8.483 -9.135 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.025 -6.878 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.174 -8.310 -7.367 1.00 0.00 H new ATOM 1342 N PHE A 89 4.891 -4.931 -8.621 1.00 0.00 N ATOM 1343 CA PHE A 89 5.065 -3.870 -9.606 1.00 0.00 C ATOM 1344 C PHE A 89 6.438 -3.220 -9.468 1.00 0.00 C ATOM 1345 O PHE A 89 7.250 -3.629 -8.638 1.00 0.00 O ATOM 1346 CB PHE A 89 3.969 -2.813 -9.447 1.00 0.00 C ATOM 1347 CG PHE A 89 3.782 -2.352 -8.030 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.673 -1.461 -7.454 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.716 -2.811 -7.273 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.504 -1.034 -6.150 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.541 -2.387 -5.969 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.437 -1.499 -5.407 1.00 0.00 C ATOM 0 H PHE A 89 5.324 -4.742 -7.717 1.00 0.00 H new ATOM 0 HA PHE A 89 4.991 -4.314 -10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.211 -1.953 -10.071 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.027 -3.219 -9.816 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.510 -1.096 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.014 -3.508 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.205 -0.338 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.704 -2.750 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.303 -1.169 -4.388 1.00 0.00 H new ATOM 1362 N ASP A 90 6.691 -2.205 -10.288 1.00 0.00 N ATOM 1363 CA ASP A 90 7.965 -1.497 -10.259 1.00 0.00 C ATOM 1364 C ASP A 90 7.869 -0.240 -9.400 1.00 0.00 C ATOM 1365 O ASP A 90 6.787 0.296 -9.161 1.00 0.00 O ATOM 1366 CB ASP A 90 8.401 -1.128 -11.678 1.00 0.00 C ATOM 1367 CG ASP A 90 9.161 -2.249 -12.360 1.00 0.00 C ATOM 1368 OD1 ASP A 90 10.316 -2.509 -11.963 1.00 0.00 O ATOM 1369 OD2 ASP A 90 8.600 -2.865 -13.289 1.00 0.00 O ATOM 0 H ASP A 90 6.030 -1.854 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 90 8.710 -2.160 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.522 -0.876 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.028 -0.237 -11.642 1.00 0.00 H new ATOM 1374 N PRO A 91 9.026 0.241 -8.923 1.00 0.00 N ATOM 1375 CA PRO A 91 9.099 1.440 -8.082 1.00 0.00 C ATOM 1376 C PRO A 91 8.776 2.712 -8.859 1.00 0.00 C ATOM 1377 O PRO A 91 8.631 3.787 -8.275 1.00 0.00 O ATOM 1378 CB PRO A 91 10.555 1.455 -7.611 1.00 0.00 C ATOM 1379 CG PRO A 91 11.300 0.704 -8.660 1.00 0.00 C ATOM 1380 CD PRO A 91 10.354 -0.348 -9.167 1.00 0.00 C ATOM 0 HA PRO A 91 8.375 1.413 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.929 2.474 -7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.660 0.981 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.614 1.367 -9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.203 0.252 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.513 -0.555 -10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.479 -1.291 -8.635 1.00 0.00 H new ATOM 1388 N ASP A 92 8.665 2.584 -10.176 1.00 0.00 N ATOM 1389 CA ASP A 92 8.358 3.724 -11.032 1.00 0.00 C ATOM 1390 C ASP A 92 6.855 3.840 -11.264 1.00 0.00 C ATOM 1391 O ASP A 92 6.287 4.929 -11.181 1.00 0.00 O ATOM 1392 CB ASP A 92 9.085 3.592 -12.372 1.00 0.00 C ATOM 1393 CG ASP A 92 10.591 3.537 -12.210 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.168 4.515 -11.690 1.00 0.00 O ATOM 1395 OD2 ASP A 92 11.194 2.517 -12.605 1.00 0.00 O ATOM 0 H ASP A 92 8.783 1.702 -10.675 1.00 0.00 H new ATOM 0 HA ASP A 92 8.700 4.628 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.744 2.690 -12.880 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.822 4.436 -13.010 1.00 0.00 H new ATOM 1400 N ASP A 93 6.218 2.712 -11.557 1.00 0.00 N ATOM 1401 CA ASP A 93 4.780 2.687 -11.801 1.00 0.00 C ATOM 1402 C ASP A 93 4.025 3.377 -10.670 1.00 0.00 C ATOM 1403 O ASP A 93 3.139 4.197 -10.911 1.00 0.00 O ATOM 1404 CB ASP A 93 4.292 1.245 -11.952 1.00 0.00 C ATOM 1405 CG ASP A 93 4.905 0.549 -13.151 1.00 0.00 C ATOM 1406 OD1 ASP A 93 6.144 0.606 -13.301 1.00 0.00 O ATOM 1407 OD2 ASP A 93 4.147 -0.053 -13.940 1.00 0.00 O ATOM 0 H ASP A 93 6.674 1.803 -11.631 1.00 0.00 H new ATOM 0 HA ASP A 93 4.584 3.228 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.534 0.686 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.206 1.240 -12.049 1.00 0.00 H new ATOM 1412 N LEU A 94 4.380 3.038 -9.435 1.00 0.00 N ATOM 1413 CA LEU A 94 3.735 3.624 -8.265 1.00 0.00 C ATOM 1414 C LEU A 94 4.219 5.052 -8.035 1.00 0.00 C ATOM 1415 O LEU A 94 3.427 5.996 -8.044 1.00 0.00 O ATOM 1416 CB LEU A 94 4.014 2.773 -7.025 1.00 0.00 C ATOM 1417 CG LEU A 94 3.698 3.426 -5.679 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.221 3.777 -5.589 1.00 0.00 C ATOM 1419 CD2 LEU A 94 4.101 2.508 -4.534 1.00 0.00 C ATOM 0 H LEU A 94 5.111 2.360 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 94 2.661 3.649 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.437 1.852 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.067 2.491 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 94 4.274 4.348 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.015 4.241 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.963 4.472 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.625 2.870 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.869 2.988 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.552 1.569 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.171 2.308 -4.588 1.00 0.00 H new ATOM 1431 N TYR A 95 5.523 5.204 -7.832 1.00 0.00 N ATOM 1432 CA TYR A 95 6.112 6.518 -7.600 1.00 0.00 C ATOM 1433 C TYR A 95 5.620 7.526 -8.634 1.00 0.00 C ATOM 1434 O TYR A 95 4.983 8.523 -8.292 1.00 0.00 O ATOM 1435 CB TYR A 95 7.638 6.430 -7.643 1.00 0.00 C ATOM 1436 CG TYR A 95 8.321 7.778 -7.699 1.00 0.00 C ATOM 1437 CD1 TYR A 95 8.251 8.659 -6.627 1.00 0.00 C ATOM 1438 CD2 TYR A 95 9.038 8.169 -8.823 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.873 9.892 -6.674 1.00 0.00 C ATOM 1440 CE2 TYR A 95 9.664 9.400 -8.878 1.00 0.00 C ATOM 1441 CZ TYR A 95 9.578 10.257 -7.802 1.00 0.00 C ATOM 1442 OH TYR A 95 10.200 11.484 -7.852 1.00 0.00 O ATOM 0 H TYR A 95 6.192 4.434 -7.823 1.00 0.00 H new ATOM 0 HA TYR A 95 5.802 6.858 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.987 5.891 -6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.935 5.845 -8.513 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.701 8.375 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.107 7.500 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.808 10.566 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.218 9.689 -9.759 1.00 0.00 H new ATOM 0 HH TYR A 95 10.732 11.548 -8.672 1.00 0.00 H new ATOM 1452 N SER A 96 5.920 7.259 -9.901 1.00 0.00 N ATOM 1453 CA SER A 96 5.512 8.143 -10.986 1.00 0.00 C ATOM 1454 C SER A 96 3.998 8.114 -11.171 1.00 0.00 C ATOM 1455 O SER A 96 3.354 9.156 -11.285 1.00 0.00 O ATOM 1456 CB SER A 96 6.204 7.740 -12.289 1.00 0.00 C ATOM 1457 OG SER A 96 7.601 7.970 -12.218 1.00 0.00 O ATOM 0 H SER A 96 6.444 6.437 -10.201 1.00 0.00 H new ATOM 0 HA SER A 96 5.809 9.159 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.016 6.686 -12.493 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.781 8.306 -13.119 1.00 0.00 H new ATOM 0 HG SER A 96 7.879 8.007 -11.279 1.00 0.00 H new ATOM 1463 N GLY A 97 3.435 6.909 -11.200 1.00 0.00 N ATOM 1464 CA GLY A 97 2.001 6.765 -11.372 1.00 0.00 C ATOM 1465 C GLY A 97 1.617 6.449 -12.803 1.00 0.00 C ATOM 1466 O GLY A 97 0.695 7.050 -13.354 1.00 0.00 O ATOM 0 H GLY A 97 3.946 6.031 -11.108 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.638 5.972 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.507 7.686 -11.061 1.00 0.00 H new ATOM 1470 N VAL A 98 2.327 5.503 -13.410 1.00 0.00 N ATOM 1471 CA VAL A 98 2.057 5.108 -14.787 1.00 0.00 C ATOM 1472 C VAL A 98 0.999 4.012 -14.847 1.00 0.00 C ATOM 1473 O VAL A 98 -0.010 4.147 -15.537 1.00 0.00 O ATOM 1474 CB VAL A 98 3.334 4.612 -15.490 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.023 4.165 -16.910 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.400 5.698 -15.486 1.00 0.00 C ATOM 0 H VAL A 98 3.094 4.996 -12.969 1.00 0.00 H new ATOM 0 HA VAL A 98 1.688 5.994 -15.303 1.00 0.00 H new ATOM 0 HB VAL A 98 3.720 3.753 -14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.938 3.818 -17.391 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.296 3.353 -16.885 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.612 5.003 -17.474 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.296 5.330 -15.987 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.026 6.577 -16.011 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.643 5.965 -14.458 1.00 0.00 H new ATOM 1486 N ASN A 99 1.237 2.927 -14.118 1.00 0.00 N ATOM 1487 CA ASN A 99 0.304 1.806 -14.088 1.00 0.00 C ATOM 1488 C ASN A 99 -0.142 1.508 -12.659 1.00 0.00 C ATOM 1489 O ASN A 99 0.574 0.860 -11.896 1.00 0.00 O ATOM 1490 CB ASN A 99 0.949 0.562 -14.703 1.00 0.00 C ATOM 1491 CG ASN A 99 -0.070 -0.359 -15.346 1.00 0.00 C ATOM 1492 OD1 ASN A 99 -1.274 -0.217 -15.131 1.00 0.00 O ATOM 1493 ND2 ASN A 99 0.410 -1.309 -16.140 1.00 0.00 N ATOM 0 H ASN A 99 2.068 2.800 -13.540 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.573 2.080 -14.674 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.681 0.867 -15.450 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.491 0.017 -13.930 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.227 -1.959 -16.601 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.416 -1.389 -16.289 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.331 1.985 -12.305 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.873 1.771 -10.969 1.00 0.00 C ATOM 1502 C PHE A 100 -2.589 0.426 -10.882 1.00 0.00 C ATOM 1503 O PHE A 100 -2.448 -0.302 -9.900 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.837 2.900 -10.599 1.00 0.00 C ATOM 1505 CG PHE A 100 -3.242 2.893 -9.153 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.287 2.971 -8.152 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.578 2.809 -8.794 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.657 2.963 -6.820 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.954 2.802 -7.464 1.00 0.00 C ATOM 1510 CZ PHE A 100 -3.992 2.880 -6.476 1.00 0.00 C ATOM 0 H PHE A 100 -1.937 2.522 -12.925 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.042 1.767 -10.263 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.370 3.857 -10.833 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.730 2.822 -11.219 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.242 3.039 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.334 2.748 -9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.903 3.022 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.999 2.736 -7.198 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.283 2.876 -5.436 1.00 0.00 H new ATOM 1520 N SER A 101 -3.359 0.105 -11.917 1.00 0.00 N ATOM 1521 CA SER A 101 -4.101 -1.150 -11.957 1.00 0.00 C ATOM 1522 C SER A 101 -3.311 -2.270 -11.288 1.00 0.00 C ATOM 1523 O SER A 101 -3.869 -3.088 -10.556 1.00 0.00 O ATOM 1524 CB SER A 101 -4.424 -1.530 -13.403 1.00 0.00 C ATOM 1525 OG SER A 101 -3.240 -1.776 -14.142 1.00 0.00 O ATOM 0 H SER A 101 -3.485 0.696 -12.739 1.00 0.00 H new ATOM 0 HA SER A 101 -5.033 -1.010 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.056 -2.418 -13.417 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.991 -0.728 -13.875 1.00 0.00 H new ATOM 0 HG SER A 101 -2.806 -0.924 -14.357 1.00 0.00 H new ATOM 1531 N LYS A 102 -2.008 -2.302 -11.546 1.00 0.00 N ATOM 1532 CA LYS A 102 -1.138 -3.320 -10.969 1.00 0.00 C ATOM 1533 C LYS A 102 -0.988 -3.119 -9.465 1.00 0.00 C ATOM 1534 O LYS A 102 -1.252 -4.029 -8.678 1.00 0.00 O ATOM 1535 CB LYS A 102 0.237 -3.283 -11.639 1.00 0.00 C ATOM 1536 CG LYS A 102 0.291 -4.029 -12.961 1.00 0.00 C ATOM 1537 CD LYS A 102 1.709 -4.453 -13.306 1.00 0.00 C ATOM 1538 CE LYS A 102 2.550 -3.268 -13.755 1.00 0.00 C ATOM 1539 NZ LYS A 102 4.004 -3.506 -13.539 1.00 0.00 N ATOM 0 H LYS A 102 -1.531 -1.634 -12.151 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.595 -4.294 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.522 -2.244 -11.806 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.974 -3.711 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.350 -4.909 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.103 -3.394 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.172 -4.921 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.684 -5.203 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.367 -3.073 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.243 -2.377 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.543 -2.675 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.183 -3.667 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.303 -4.342 -14.081 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.565 -1.922 -9.071 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.383 -1.602 -7.660 1.00 0.00 C ATOM 1555 C VAL A 103 -1.631 -1.944 -6.853 1.00 0.00 C ATOM 1556 O VAL A 103 -1.542 -2.505 -5.761 1.00 0.00 O ATOM 1557 CB VAL A 103 -0.050 -0.111 -7.462 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.104 0.210 -5.983 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.209 0.260 -8.231 1.00 0.00 C ATOM 0 H VAL A 103 -0.342 -1.158 -9.709 1.00 0.00 H new ATOM 0 HA VAL A 103 0.453 -2.204 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.876 0.483 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.339 1.268 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.827 -0.016 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.910 -0.391 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.430 1.317 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.045 -0.340 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.056 0.070 -9.293 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.793 -1.603 -7.399 1.00 0.00 N ATOM 1570 CA LEU A 104 -4.061 -1.874 -6.730 1.00 0.00 C ATOM 1571 C LEU A 104 -4.245 -3.371 -6.499 1.00 0.00 C ATOM 1572 O LEU A 104 -4.499 -3.809 -5.377 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.224 -1.328 -7.559 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.578 -1.259 -6.852 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.512 -0.309 -5.666 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.666 -0.826 -7.824 1.00 0.00 C ATOM 0 H LEU A 104 -2.884 -1.139 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.047 -1.374 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.963 -0.326 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.332 -1.948 -8.449 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.824 -2.254 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.484 -0.272 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.761 -0.662 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.243 0.689 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.623 -0.782 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.425 0.159 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.730 -1.544 -8.642 1.00 0.00 H new ATOM 1588 N SER A 105 -4.112 -4.150 -7.567 1.00 0.00 N ATOM 1589 CA SER A 105 -4.265 -5.598 -7.481 1.00 0.00 C ATOM 1590 C SER A 105 -3.261 -6.193 -6.498 1.00 0.00 C ATOM 1591 O SER A 105 -3.619 -6.991 -5.632 1.00 0.00 O ATOM 1592 CB SER A 105 -4.085 -6.234 -8.860 1.00 0.00 C ATOM 1593 OG SER A 105 -2.900 -5.772 -9.484 1.00 0.00 O ATOM 0 H SER A 105 -3.899 -3.803 -8.502 1.00 0.00 H new ATOM 0 HA SER A 105 -5.271 -5.811 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.049 -7.319 -8.762 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.945 -6.000 -9.487 1.00 0.00 H new ATOM 0 HG SER A 105 -2.530 -5.024 -8.970 1.00 0.00 H new ATOM 1599 N THR A 106 -1.999 -5.798 -6.640 1.00 0.00 N ATOM 1600 CA THR A 106 -0.941 -6.292 -5.768 1.00 0.00 C ATOM 1601 C THR A 106 -1.382 -6.280 -4.308 1.00 0.00 C ATOM 1602 O THR A 106 -1.232 -7.274 -3.596 1.00 0.00 O ATOM 1603 CB THR A 106 0.343 -5.453 -5.911 1.00 0.00 C ATOM 1604 OG1 THR A 106 0.826 -5.523 -7.257 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.419 -5.942 -4.954 1.00 0.00 C ATOM 0 H THR A 106 -1.685 -5.137 -7.351 1.00 0.00 H new ATOM 0 HA THR A 106 -0.732 -7.317 -6.074 1.00 0.00 H new ATOM 0 HB THR A 106 0.104 -4.418 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.223 -5.024 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.316 -5.334 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.059 -5.859 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.655 -6.983 -5.173 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.927 -5.152 -3.869 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.391 -5.011 -2.493 1.00 0.00 C ATOM 1615 C LEU A 107 -3.597 -5.907 -2.231 1.00 0.00 C ATOM 1616 O LEU A 107 -3.684 -6.562 -1.191 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.751 -3.553 -2.201 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.576 -2.582 -2.086 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -2.068 -1.143 -2.103 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.777 -2.859 -0.820 1.00 0.00 C ATOM 0 H LEU A 107 -2.059 -4.321 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.582 -5.318 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.414 -3.198 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.317 -3.519 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.922 -2.731 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.217 -0.467 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.596 -0.950 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.744 -0.980 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.055 -2.158 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.422 -2.739 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.392 -3.878 -0.848 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.526 -5.932 -3.180 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.728 -6.750 -3.054 1.00 0.00 C ATOM 1634 C LEU A 108 -5.375 -8.176 -2.643 1.00 0.00 C ATOM 1635 O LEU A 108 -6.007 -8.751 -1.757 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.500 -6.764 -4.374 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.508 -5.631 -4.575 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.066 -5.658 -5.989 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.631 -5.731 -3.553 1.00 0.00 C ATOM 0 H LEU A 108 -4.470 -5.395 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.356 -6.312 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.781 -6.733 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.030 -7.713 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.994 -4.681 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.781 -4.845 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.252 -5.538 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.565 -6.611 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.339 -4.918 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.144 -6.686 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.215 -5.661 -2.548 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.360 -8.739 -3.290 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.921 -10.096 -2.989 1.00 0.00 C ATOM 1653 C ALA A 109 -3.396 -10.198 -1.561 1.00 0.00 C ATOM 1654 O ALA A 109 -3.812 -11.070 -0.797 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.853 -10.537 -3.979 1.00 0.00 C ATOM 0 H ALA A 109 -3.826 -8.276 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.781 -10.759 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.534 -11.552 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.261 -10.511 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.998 -9.864 -3.915 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.479 -9.303 -1.206 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.897 -9.293 0.131 1.00 0.00 C ATOM 1663 C VAL A 110 -2.978 -9.394 1.201 1.00 0.00 C ATOM 1664 O VAL A 110 -2.909 -10.242 2.089 1.00 0.00 O ATOM 1665 CB VAL A 110 -1.069 -8.017 0.372 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.471 -8.026 1.771 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.020 -7.882 -0.681 1.00 0.00 C ATOM 0 H VAL A 110 -2.123 -8.575 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.241 -10.161 0.198 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.730 -7.154 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.111 -7.117 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.272 -8.073 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.177 -8.895 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.595 -6.975 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.681 -8.747 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.435 -7.827 -1.670 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.977 -8.522 1.110 1.00 0.00 N ATOM 1678 CA ASN A 111 -5.074 -8.513 2.071 1.00 0.00 C ATOM 1679 C ASN A 111 -5.679 -9.905 2.220 1.00 0.00 C ATOM 1680 O ASN A 111 -5.920 -10.375 3.332 1.00 0.00 O ATOM 1681 CB ASN A 111 -6.153 -7.520 1.635 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.533 -7.912 2.128 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.408 -8.269 1.339 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.733 -7.847 3.439 1.00 0.00 N ATOM 0 H ASN A 111 -4.049 -7.813 0.381 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.675 -8.205 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.904 -6.528 2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.164 -7.454 0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.641 -8.099 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.979 -7.545 4.056 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.921 -10.563 1.090 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.496 -11.903 1.093 1.00 0.00 C ATOM 1693 C LYS A 112 -5.541 -12.903 1.736 1.00 0.00 C ATOM 1694 O LYS A 112 -5.944 -13.708 2.575 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.825 -12.342 -0.336 1.00 0.00 C ATOM 1696 CG LYS A 112 -7.928 -13.383 -0.414 1.00 0.00 C ATOM 1697 CD LYS A 112 -9.304 -12.741 -0.358 1.00 0.00 C ATOM 1698 CE LYS A 112 -9.699 -12.152 -1.704 1.00 0.00 C ATOM 1699 NZ LYS A 112 -10.925 -11.312 -1.603 1.00 0.00 N ATOM 0 H LYS A 112 -5.728 -10.189 0.161 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.415 -11.876 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.120 -11.468 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.924 -12.744 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.828 -13.952 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.821 -14.090 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.041 -13.484 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.311 -11.957 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.877 -11.550 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.869 -12.958 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.162 -10.929 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.716 -11.892 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.755 -10.528 -0.941 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.274 -12.845 1.339 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.262 -13.743 1.880 1.00 0.00 C ATOM 1715 C ALA A 113 -3.174 -13.622 3.397 1.00 0.00 C ATOM 1716 O ALA A 113 -2.997 -14.616 4.102 1.00 0.00 O ATOM 1717 CB ALA A 113 -1.909 -13.456 1.246 1.00 0.00 C ATOM 0 H ALA A 113 -3.924 -12.185 0.644 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.554 -14.765 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.162 -14.134 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.974 -13.602 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.620 -12.426 1.456 1.00 0.00 H new ATOM 1723 N THR A 114 -3.299 -12.396 3.896 1.00 0.00 N ATOM 1724 CA THR A 114 -3.231 -12.144 5.330 1.00 0.00 C ATOM 1725 C THR A 114 -4.464 -12.689 6.042 1.00 0.00 C ATOM 1726 O THR A 114 -4.363 -13.259 7.128 1.00 0.00 O ATOM 1727 CB THR A 114 -3.102 -10.639 5.631 1.00 0.00 C ATOM 1728 OG1 THR A 114 -4.168 -9.920 5.001 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.765 -10.103 5.143 1.00 0.00 C ATOM 0 H THR A 114 -3.448 -11.562 3.328 1.00 0.00 H new ATOM 0 HA THR A 114 -2.344 -12.658 5.700 1.00 0.00 H new ATOM 0 HB THR A 114 -3.159 -10.501 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.731 -10.544 4.498 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.696 -9.038 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.955 -10.632 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.684 -10.254 4.067 1.00 0.00 H new