USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 172:sc= -1.08 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -1.32 X(o=-6.2,f=-6.4) USER MOD Set 1.3: A 62 CYS SG : rot 60:sc= 0.183 USER MOD Set 1.4: A 65 CYS SG : rot -57:sc= -3.94! USER MOD Set 2.1: A 22 CYS SG : rot 80:sc= 1.24 USER MOD Set 2.2: A 25 CYS SG : rot -71:sc= -0.826 USER MOD Set 2.3: A 42 CYS SG : rot 77:sc= 1.23 USER MOD Set 2.4: A 45 CYS SG : rot 125:sc= -0.307 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 7:sc= 0.58 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 110:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 40 SER OG : rot 170:sc= -2.55 USER MOD Single : A 47 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 49 ASN : amide:sc= -1.75! C(o=-1.8!,f=-3.7!) USER MOD Single : A 50 TYR OH : rot 115:sc= 0.19 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc=-0.00212 USER MOD Single : A 73 ASN : amide:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 22.717 -3.927 -18.770 1.00 0.00 N ATOM 31 CA GLY A 4 22.813 -5.174 -19.507 1.00 0.00 C ATOM 32 C GLY A 4 22.210 -6.342 -18.753 1.00 0.00 C ATOM 33 O GLY A 4 21.880 -6.224 -17.573 1.00 0.00 O ATOM 0 HA2 GLY A 4 22.307 -5.065 -20.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.861 -5.386 -19.721 1.00 0.00 H new ATOM 37 N SER A 5 22.063 -7.473 -19.435 1.00 0.00 N ATOM 38 CA SER A 5 21.490 -8.666 -18.823 1.00 0.00 C ATOM 39 C SER A 5 21.768 -9.900 -19.676 1.00 0.00 C ATOM 40 O SER A 5 22.176 -9.791 -20.832 1.00 0.00 O ATOM 41 CB SER A 5 19.982 -8.493 -18.632 1.00 0.00 C ATOM 42 OG SER A 5 19.286 -8.716 -19.846 1.00 0.00 O ATOM 0 H SER A 5 22.333 -7.588 -20.412 1.00 0.00 H new ATOM 0 HA SER A 5 21.958 -8.806 -17.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.626 -9.189 -17.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.771 -7.488 -18.268 1.00 0.00 H new ATOM 0 HG SER A 5 18.324 -8.601 -19.697 1.00 0.00 H new ATOM 48 N SER A 6 21.543 -11.075 -19.096 1.00 0.00 N ATOM 49 CA SER A 6 21.772 -12.331 -19.800 1.00 0.00 C ATOM 50 C SER A 6 20.600 -13.288 -19.600 1.00 0.00 C ATOM 51 O SER A 6 19.686 -13.013 -18.824 1.00 0.00 O ATOM 52 CB SER A 6 23.067 -12.984 -19.314 1.00 0.00 C ATOM 53 OG SER A 6 23.085 -13.089 -17.901 1.00 0.00 O ATOM 0 H SER A 6 21.202 -11.183 -18.141 1.00 0.00 H new ATOM 0 HA SER A 6 21.861 -12.111 -20.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.167 -13.975 -19.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.922 -12.397 -19.649 1.00 0.00 H new ATOM 0 HG SER A 6 23.922 -13.511 -17.615 1.00 0.00 H new ATOM 59 N GLY A 7 20.635 -14.413 -20.307 1.00 0.00 N ATOM 60 CA GLY A 7 19.572 -15.394 -20.194 1.00 0.00 C ATOM 61 C GLY A 7 20.033 -16.793 -20.552 1.00 0.00 C ATOM 62 O GLY A 7 21.225 -17.031 -20.742 1.00 0.00 O ATOM 0 H GLY A 7 21.381 -14.663 -20.956 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.187 -15.392 -19.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.747 -15.108 -20.847 1.00 0.00 H new ATOM 66 N MET A 8 19.086 -17.721 -20.644 1.00 0.00 N ATOM 67 CA MET A 8 19.402 -19.104 -20.981 1.00 0.00 C ATOM 68 C MET A 8 18.201 -19.796 -21.618 1.00 0.00 C ATOM 69 O MET A 8 17.065 -19.345 -21.476 1.00 0.00 O ATOM 70 CB MET A 8 19.842 -19.869 -19.731 1.00 0.00 C ATOM 71 CG MET A 8 21.309 -19.677 -19.386 1.00 0.00 C ATOM 72 SD MET A 8 21.829 -20.675 -17.977 1.00 0.00 S ATOM 73 CE MET A 8 23.608 -20.492 -18.070 1.00 0.00 C ATOM 0 H MET A 8 18.094 -17.540 -20.490 1.00 0.00 H new ATOM 0 HA MET A 8 20.220 -19.098 -21.701 1.00 0.00 H new ATOM 0 HB2 MET A 8 19.233 -19.548 -18.886 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.648 -20.931 -19.878 1.00 0.00 H new ATOM 0 HG2 MET A 8 21.918 -19.934 -20.252 1.00 0.00 H new ATOM 0 HG3 MET A 8 21.492 -18.625 -19.168 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.074 -21.054 -17.261 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.963 -20.872 -19.028 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.871 -19.438 -17.978 1.00 0.00 H new ATOM 83 N ALA A 9 18.461 -20.894 -22.321 1.00 0.00 N ATOM 84 CA ALA A 9 17.401 -21.649 -22.979 1.00 0.00 C ATOM 85 C ALA A 9 17.626 -23.150 -22.836 1.00 0.00 C ATOM 86 O ALA A 9 18.744 -23.598 -22.581 1.00 0.00 O ATOM 87 CB ALA A 9 17.313 -21.264 -24.448 1.00 0.00 C ATOM 0 H ALA A 9 19.396 -21.280 -22.449 1.00 0.00 H new ATOM 0 HA ALA A 9 16.457 -21.402 -22.493 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.518 -21.835 -24.927 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.096 -20.199 -24.533 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.262 -21.481 -24.939 1.00 0.00 H new ATOM 93 N SER A 10 16.557 -23.922 -23.000 1.00 0.00 N ATOM 94 CA SER A 10 16.638 -25.374 -22.884 1.00 0.00 C ATOM 95 C SER A 10 15.532 -26.045 -23.693 1.00 0.00 C ATOM 96 O SER A 10 14.556 -25.405 -24.082 1.00 0.00 O ATOM 97 CB SER A 10 16.540 -25.796 -21.417 1.00 0.00 C ATOM 98 OG SER A 10 17.696 -25.407 -20.696 1.00 0.00 O ATOM 0 H SER A 10 15.625 -23.567 -23.213 1.00 0.00 H new ATOM 0 HA SER A 10 17.601 -25.693 -23.282 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.657 -25.346 -20.964 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.415 -26.877 -21.354 1.00 0.00 H new ATOM 0 HG SER A 10 18.269 -24.856 -21.269 1.00 0.00 H new ATOM 104 N SER A 11 15.694 -27.341 -23.943 1.00 0.00 N ATOM 105 CA SER A 11 14.712 -28.100 -24.709 1.00 0.00 C ATOM 106 C SER A 11 13.477 -28.399 -23.864 1.00 0.00 C ATOM 107 O SER A 11 13.331 -29.495 -23.323 1.00 0.00 O ATOM 108 CB SER A 11 15.328 -29.407 -25.213 1.00 0.00 C ATOM 109 OG SER A 11 14.555 -29.963 -26.263 1.00 0.00 O ATOM 0 H SER A 11 16.495 -27.887 -23.626 1.00 0.00 H new ATOM 0 HA SER A 11 14.408 -27.496 -25.564 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.344 -29.223 -25.563 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.398 -30.120 -24.392 1.00 0.00 H new ATOM 0 HG SER A 11 14.970 -30.796 -26.569 1.00 0.00 H new ATOM 115 N VAL A 12 12.590 -27.415 -23.756 1.00 0.00 N ATOM 116 CA VAL A 12 11.366 -27.571 -22.979 1.00 0.00 C ATOM 117 C VAL A 12 10.235 -26.730 -23.560 1.00 0.00 C ATOM 118 O VAL A 12 10.437 -25.577 -23.941 1.00 0.00 O ATOM 119 CB VAL A 12 11.582 -27.174 -21.506 1.00 0.00 C ATOM 120 CG1 VAL A 12 10.282 -27.291 -20.725 1.00 0.00 C ATOM 121 CG2 VAL A 12 12.671 -28.031 -20.878 1.00 0.00 C ATOM 0 H VAL A 12 12.696 -26.501 -24.197 1.00 0.00 H new ATOM 0 HA VAL A 12 11.093 -28.625 -23.027 1.00 0.00 H new ATOM 0 HB VAL A 12 11.905 -26.134 -21.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.454 -27.007 -19.687 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.534 -26.630 -21.163 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.925 -28.320 -20.765 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.811 -27.737 -19.838 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.379 -29.080 -20.923 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.604 -27.890 -21.423 1.00 0.00 H new ATOM 131 N LEU A 13 9.044 -27.315 -23.625 1.00 0.00 N ATOM 132 CA LEU A 13 7.879 -26.620 -24.159 1.00 0.00 C ATOM 133 C LEU A 13 6.861 -26.337 -23.059 1.00 0.00 C ATOM 134 O LEU A 13 6.009 -27.173 -22.759 1.00 0.00 O ATOM 135 CB LEU A 13 7.230 -27.450 -25.269 1.00 0.00 C ATOM 136 CG LEU A 13 7.985 -27.503 -26.597 1.00 0.00 C ATOM 137 CD1 LEU A 13 9.004 -28.632 -26.587 1.00 0.00 C ATOM 138 CD2 LEU A 13 7.014 -27.668 -27.757 1.00 0.00 C ATOM 0 H LEU A 13 8.860 -28.269 -23.314 1.00 0.00 H new ATOM 0 HA LEU A 13 8.213 -25.668 -24.573 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.103 -28.470 -24.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.233 -27.052 -25.457 1.00 0.00 H new ATOM 0 HG LEU A 13 8.518 -26.561 -26.728 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.532 -28.654 -27.540 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.719 -28.470 -25.780 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.493 -29.582 -26.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.569 -27.704 -28.694 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.452 -28.594 -27.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.324 -26.825 -27.776 1.00 0.00 H new ATOM 150 N GLU A 14 6.956 -25.153 -22.462 1.00 0.00 N ATOM 151 CA GLU A 14 6.042 -24.760 -21.396 1.00 0.00 C ATOM 152 C GLU A 14 5.239 -23.526 -21.795 1.00 0.00 C ATOM 153 O GLU A 14 5.634 -22.778 -22.688 1.00 0.00 O ATOM 154 CB GLU A 14 6.818 -24.482 -20.106 1.00 0.00 C ATOM 155 CG GLU A 14 5.964 -24.567 -18.852 1.00 0.00 C ATOM 156 CD GLU A 14 6.793 -24.677 -17.588 1.00 0.00 C ATOM 157 OE1 GLU A 14 7.688 -23.829 -17.389 1.00 0.00 O ATOM 158 OE2 GLU A 14 6.547 -25.612 -16.797 1.00 0.00 O ATOM 0 H GLU A 14 7.656 -24.450 -22.698 1.00 0.00 H new ATOM 0 HA GLU A 14 5.349 -25.583 -21.225 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.639 -25.194 -20.025 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.262 -23.489 -20.166 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.328 -23.684 -18.789 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.303 -25.431 -18.925 1.00 0.00 H new ATOM 165 N MET A 15 4.108 -23.321 -21.126 1.00 0.00 N ATOM 166 CA MET A 15 3.249 -22.178 -21.411 1.00 0.00 C ATOM 167 C MET A 15 3.554 -21.020 -20.466 1.00 0.00 C ATOM 168 O MET A 15 3.333 -21.118 -19.258 1.00 0.00 O ATOM 169 CB MET A 15 1.777 -22.577 -21.289 1.00 0.00 C ATOM 170 CG MET A 15 1.192 -23.142 -22.573 1.00 0.00 C ATOM 171 SD MET A 15 1.543 -24.898 -22.783 1.00 0.00 S ATOM 172 CE MET A 15 -0.115 -25.574 -22.811 1.00 0.00 C ATOM 0 H MET A 15 3.766 -23.931 -20.384 1.00 0.00 H new ATOM 0 HA MET A 15 3.446 -21.852 -22.432 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.674 -23.318 -20.496 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.196 -21.705 -20.988 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.113 -22.989 -22.574 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.593 -22.591 -23.424 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.065 -26.656 -22.935 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.619 -25.340 -21.874 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.671 -25.139 -23.641 1.00 0.00 H new ATOM 182 N ILE A 16 4.063 -19.926 -21.023 1.00 0.00 N ATOM 183 CA ILE A 16 4.397 -18.750 -20.229 1.00 0.00 C ATOM 184 C ILE A 16 3.150 -17.937 -19.899 1.00 0.00 C ATOM 185 O ILE A 16 2.288 -17.728 -20.752 1.00 0.00 O ATOM 186 CB ILE A 16 5.407 -17.846 -20.960 1.00 0.00 C ATOM 187 CG1 ILE A 16 6.662 -18.640 -21.329 1.00 0.00 C ATOM 188 CG2 ILE A 16 5.768 -16.648 -20.095 1.00 0.00 C ATOM 189 CD1 ILE A 16 6.549 -19.370 -22.649 1.00 0.00 C ATOM 0 H ILE A 16 4.253 -19.830 -22.021 1.00 0.00 H new ATOM 0 HA ILE A 16 4.847 -19.111 -19.304 1.00 0.00 H new ATOM 0 HB ILE A 16 4.947 -17.482 -21.879 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.513 -17.960 -21.371 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.870 -19.363 -20.540 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.483 -16.019 -20.625 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.869 -16.072 -19.878 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.212 -16.994 -19.161 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.475 -19.911 -22.846 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.719 -20.075 -22.605 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.372 -18.651 -23.449 1.00 0.00 H new ATOM 201 N LYS A 17 3.062 -17.479 -18.655 1.00 0.00 N ATOM 202 CA LYS A 17 1.922 -16.685 -18.211 1.00 0.00 C ATOM 203 C LYS A 17 2.171 -15.198 -18.443 1.00 0.00 C ATOM 204 O LYS A 17 2.168 -14.405 -17.503 1.00 0.00 O ATOM 205 CB LYS A 17 1.644 -16.940 -16.728 1.00 0.00 C ATOM 206 CG LYS A 17 1.100 -18.329 -16.441 1.00 0.00 C ATOM 207 CD LYS A 17 -0.316 -18.493 -16.967 1.00 0.00 C ATOM 208 CE LYS A 17 -0.906 -19.838 -16.572 1.00 0.00 C ATOM 209 NZ LYS A 17 -2.024 -20.239 -17.469 1.00 0.00 N ATOM 0 H LYS A 17 3.766 -17.644 -17.936 1.00 0.00 H new ATOM 0 HA LYS A 17 1.052 -16.986 -18.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.566 -16.796 -16.164 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.931 -16.198 -16.368 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.748 -19.076 -16.899 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.113 -18.511 -15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.944 -17.691 -16.579 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.315 -18.400 -18.053 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.126 -20.599 -16.601 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.265 -19.789 -15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.399 -21.161 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.780 -19.526 -17.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.676 -20.311 -18.446 1.00 0.00 H new ATOM 269 N THR A 21 1.050 -11.761 -15.419 1.00 0.00 N ATOM 270 CA THR A 21 2.307 -11.257 -14.882 1.00 0.00 C ATOM 271 C THR A 21 2.457 -9.762 -15.143 1.00 0.00 C ATOM 272 O THR A 21 1.972 -9.246 -16.150 1.00 0.00 O ATOM 273 CB THR A 21 3.514 -11.996 -15.489 1.00 0.00 C ATOM 274 OG1 THR A 21 3.355 -13.410 -15.327 1.00 0.00 O ATOM 275 CG2 THR A 21 4.811 -11.548 -14.830 1.00 0.00 C ATOM 0 HA THR A 21 2.285 -11.435 -13.807 1.00 0.00 H new ATOM 0 HB THR A 21 3.562 -11.755 -16.551 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.177 -13.821 -16.199 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.649 -12.084 -15.275 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.944 -10.477 -14.980 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.769 -11.762 -13.762 1.00 0.00 H new ATOM 283 N CYS A 22 3.132 -9.072 -14.230 1.00 0.00 N ATOM 284 CA CYS A 22 3.347 -7.636 -14.361 1.00 0.00 C ATOM 285 C CYS A 22 3.764 -7.276 -15.784 1.00 0.00 C ATOM 286 O CYS A 22 4.828 -7.668 -16.264 1.00 0.00 O ATOM 287 CB CYS A 22 4.414 -7.166 -13.371 1.00 0.00 C ATOM 288 SG CYS A 22 4.549 -5.355 -13.226 1.00 0.00 S ATOM 0 H CYS A 22 3.540 -9.484 -13.391 1.00 0.00 H new ATOM 0 HA CYS A 22 2.407 -7.132 -14.138 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.191 -7.583 -12.389 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.380 -7.568 -13.676 1.00 0.00 H new ATOM 0 HG CYS A 22 3.606 -4.910 -12.449 1.00 0.00 H new ATOM 293 N PRO A 23 2.907 -6.512 -16.477 1.00 0.00 N ATOM 294 CA PRO A 23 3.164 -6.081 -17.854 1.00 0.00 C ATOM 295 C PRO A 23 4.295 -5.062 -17.941 1.00 0.00 C ATOM 296 O PRO A 23 4.601 -4.551 -19.019 1.00 0.00 O ATOM 297 CB PRO A 23 1.839 -5.446 -18.281 1.00 0.00 C ATOM 298 CG PRO A 23 1.202 -5.006 -17.008 1.00 0.00 C ATOM 299 CD PRO A 23 1.620 -6.008 -15.968 1.00 0.00 C ATOM 0 HA PRO A 23 3.479 -6.910 -18.488 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.002 -4.604 -18.954 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.210 -6.161 -18.812 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.527 -4.002 -16.736 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.117 -4.974 -17.105 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.729 -5.547 -14.987 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.888 -6.809 -15.864 1.00 0.00 H new ATOM 307 N ILE A 24 4.913 -4.772 -16.801 1.00 0.00 N ATOM 308 CA ILE A 24 6.011 -3.815 -16.750 1.00 0.00 C ATOM 309 C ILE A 24 7.347 -4.522 -16.547 1.00 0.00 C ATOM 310 O ILE A 24 8.226 -4.470 -17.408 1.00 0.00 O ATOM 311 CB ILE A 24 5.810 -2.788 -15.620 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.546 -1.964 -15.869 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.026 -1.880 -15.507 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.106 -1.154 -14.669 1.00 0.00 C ATOM 0 H ILE A 24 4.672 -5.186 -15.901 1.00 0.00 H new ATOM 0 HA ILE A 24 6.020 -3.293 -17.707 1.00 0.00 H new ATOM 0 HB ILE A 24 5.692 -3.325 -14.679 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.721 -1.290 -16.708 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.737 -2.634 -16.161 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.869 -1.160 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.909 -2.480 -15.288 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.172 -1.349 -16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.204 -0.595 -14.918 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.899 -1.824 -13.834 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.898 -0.459 -14.389 1.00 0.00 H new ATOM 326 N CYS A 25 7.493 -5.184 -15.404 1.00 0.00 N ATOM 327 CA CYS A 25 8.721 -5.903 -15.088 1.00 0.00 C ATOM 328 C CYS A 25 8.672 -7.328 -15.632 1.00 0.00 C ATOM 329 O CYS A 25 9.707 -7.934 -15.910 1.00 0.00 O ATOM 330 CB CYS A 25 8.945 -5.931 -13.575 1.00 0.00 C ATOM 331 SG CYS A 25 7.706 -6.900 -12.657 1.00 0.00 S ATOM 0 H CYS A 25 6.775 -5.237 -14.681 1.00 0.00 H new ATOM 0 HA CYS A 25 9.551 -5.380 -15.562 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.934 -6.342 -13.373 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.942 -4.908 -13.199 1.00 0.00 H new ATOM 0 HG CYS A 25 6.567 -6.273 -12.672 1.00 0.00 H new ATOM 336 N LEU A 26 7.462 -7.857 -15.781 1.00 0.00 N ATOM 337 CA LEU A 26 7.277 -9.211 -16.292 1.00 0.00 C ATOM 338 C LEU A 26 7.763 -10.245 -15.283 1.00 0.00 C ATOM 339 O LEU A 26 8.476 -11.184 -15.636 1.00 0.00 O ATOM 340 CB LEU A 26 8.023 -9.384 -17.617 1.00 0.00 C ATOM 341 CG LEU A 26 7.803 -8.287 -18.659 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.738 -8.481 -19.843 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.352 -8.274 -19.120 1.00 0.00 C ATOM 0 H LEU A 26 6.595 -7.369 -15.555 1.00 0.00 H new ATOM 0 HA LEU A 26 6.211 -9.367 -16.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.090 -9.447 -17.405 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.729 -10.338 -18.055 1.00 0.00 H new ATOM 0 HG LEU A 26 8.027 -7.324 -18.199 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.567 -7.691 -20.575 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.772 -8.441 -19.500 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.546 -9.450 -20.304 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.213 -7.487 -19.861 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.102 -9.238 -19.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.701 -8.087 -18.266 1.00 0.00 H new ATOM 355 N GLU A 27 7.371 -10.067 -14.025 1.00 0.00 N ATOM 356 CA GLU A 27 7.767 -10.987 -12.965 1.00 0.00 C ATOM 357 C GLU A 27 6.618 -11.217 -11.987 1.00 0.00 C ATOM 358 O GLU A 27 5.635 -10.474 -11.980 1.00 0.00 O ATOM 359 CB GLU A 27 8.986 -10.444 -12.217 1.00 0.00 C ATOM 360 CG GLU A 27 10.256 -10.430 -13.051 1.00 0.00 C ATOM 361 CD GLU A 27 11.351 -9.582 -12.433 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.040 -8.480 -11.936 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.520 -10.022 -12.447 1.00 0.00 O ATOM 0 H GLU A 27 6.780 -9.295 -13.715 1.00 0.00 H new ATOM 0 HA GLU A 27 8.027 -11.940 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.772 -9.430 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.154 -11.048 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.617 -11.451 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.028 -10.052 -14.047 1.00 0.00 H new ATOM 370 N LEU A 28 6.748 -12.250 -11.163 1.00 0.00 N ATOM 371 CA LEU A 28 5.721 -12.580 -10.181 1.00 0.00 C ATOM 372 C LEU A 28 5.233 -11.326 -9.462 1.00 0.00 C ATOM 373 O LEU A 28 6.006 -10.640 -8.793 1.00 0.00 O ATOM 374 CB LEU A 28 6.264 -13.586 -9.164 1.00 0.00 C ATOM 375 CG LEU A 28 6.077 -15.062 -9.515 1.00 0.00 C ATOM 376 CD1 LEU A 28 4.599 -15.417 -9.559 1.00 0.00 C ATOM 377 CD2 LEU A 28 6.745 -15.383 -10.844 1.00 0.00 C ATOM 0 H LEU A 28 7.555 -12.874 -11.155 1.00 0.00 H new ATOM 0 HA LEU A 28 4.878 -13.026 -10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.329 -13.397 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.783 -13.398 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 28 6.551 -15.663 -8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.485 -16.472 -9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.150 -15.226 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.101 -14.808 -10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.602 -16.438 -11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.301 -14.773 -11.631 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.811 -15.168 -10.777 1.00 0.00 H new ATOM 389 N LEU A 29 3.944 -11.034 -9.603 1.00 0.00 N ATOM 390 CA LEU A 29 3.351 -9.864 -8.965 1.00 0.00 C ATOM 391 C LEU A 29 3.388 -9.994 -7.446 1.00 0.00 C ATOM 392 O LEU A 29 2.712 -10.846 -6.868 1.00 0.00 O ATOM 393 CB LEU A 29 1.908 -9.678 -9.438 1.00 0.00 C ATOM 394 CG LEU A 29 1.726 -9.316 -10.912 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.398 -9.846 -11.432 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.815 -7.810 -11.107 1.00 0.00 C ATOM 0 H LEU A 29 3.290 -11.591 -10.153 1.00 0.00 H new ATOM 0 HA LEU A 29 3.936 -8.990 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.361 -10.600 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.446 -8.897 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 29 2.529 -9.783 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.286 -9.579 -12.483 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.374 -10.931 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.418 -9.409 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.683 -7.571 -12.162 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.035 -7.321 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.791 -7.457 -10.774 1.00 0.00 H new ATOM 408 N LYS A 30 4.180 -9.143 -6.803 1.00 0.00 N ATOM 409 CA LYS A 30 4.303 -9.160 -5.351 1.00 0.00 C ATOM 410 C LYS A 30 3.459 -8.057 -4.720 1.00 0.00 C ATOM 411 O LYS A 30 3.725 -6.871 -4.915 1.00 0.00 O ATOM 412 CB LYS A 30 5.768 -8.992 -4.941 1.00 0.00 C ATOM 413 CG LYS A 30 6.644 -10.174 -5.318 1.00 0.00 C ATOM 414 CD LYS A 30 6.673 -11.221 -4.217 1.00 0.00 C ATOM 415 CE LYS A 30 5.644 -12.314 -4.460 1.00 0.00 C ATOM 416 NZ LYS A 30 5.327 -13.064 -3.213 1.00 0.00 N ATOM 0 H LYS A 30 4.747 -8.432 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 30 3.939 -10.123 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.166 -8.091 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.820 -8.841 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.273 -10.624 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.658 -9.827 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.668 -11.663 -4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.480 -10.745 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.732 -11.871 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.020 -13.005 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.622 -13.800 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.193 -13.508 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.944 -12.409 -2.502 1.00 0.00 H new ATOM 430 N GLU A 31 2.441 -8.456 -3.964 1.00 0.00 N ATOM 431 CA GLU A 31 1.559 -7.500 -3.305 1.00 0.00 C ATOM 432 C GLU A 31 1.070 -6.442 -4.290 1.00 0.00 C ATOM 433 O GLU A 31 1.152 -5.239 -4.040 1.00 0.00 O ATOM 434 CB GLU A 31 2.281 -6.828 -2.135 1.00 0.00 C ATOM 435 CG GLU A 31 2.194 -7.612 -0.836 1.00 0.00 C ATOM 436 CD GLU A 31 2.560 -6.775 0.375 1.00 0.00 C ATOM 437 OE1 GLU A 31 3.769 -6.609 0.637 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.637 -6.288 1.060 1.00 0.00 O ATOM 0 H GLU A 31 2.207 -9.434 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 31 0.695 -8.045 -2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.330 -6.690 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.858 -5.835 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.181 -7.996 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.858 -8.475 -0.891 1.00 0.00 H new ATOM 445 N PRO A 32 0.550 -6.899 -5.439 1.00 0.00 N ATOM 446 CA PRO A 32 0.038 -6.009 -6.485 1.00 0.00 C ATOM 447 C PRO A 32 -1.249 -5.304 -6.069 1.00 0.00 C ATOM 448 O PRO A 32 -1.908 -5.710 -5.112 1.00 0.00 O ATOM 449 CB PRO A 32 -0.227 -6.956 -7.658 1.00 0.00 C ATOM 450 CG PRO A 32 -0.454 -8.287 -7.027 1.00 0.00 C ATOM 451 CD PRO A 32 0.421 -8.319 -5.804 1.00 0.00 C ATOM 0 HA PRO A 32 0.739 -5.207 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.095 -6.638 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.619 -6.982 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.503 -8.419 -6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.196 -9.094 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.032 -8.901 -5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.391 -8.769 -6.016 1.00 0.00 H new ATOM 459 N VAL A 33 -1.600 -4.247 -6.794 1.00 0.00 N ATOM 460 CA VAL A 33 -2.809 -3.487 -6.501 1.00 0.00 C ATOM 461 C VAL A 33 -3.627 -3.245 -7.765 1.00 0.00 C ATOM 462 O VAL A 33 -3.125 -2.694 -8.745 1.00 0.00 O ATOM 463 CB VAL A 33 -2.476 -2.132 -5.850 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.702 -2.336 -4.557 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.694 -1.255 -6.817 1.00 0.00 C ATOM 0 H VAL A 33 -1.064 -3.898 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.396 -4.083 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.410 -1.625 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.476 -1.367 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.302 -2.923 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.772 -2.864 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.467 -0.301 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.765 -1.754 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.290 -1.080 -7.713 1.00 0.00 H new ATOM 475 N SER A 34 -4.889 -3.660 -7.736 1.00 0.00 N ATOM 476 CA SER A 34 -5.776 -3.491 -8.881 1.00 0.00 C ATOM 477 C SER A 34 -6.219 -2.037 -9.015 1.00 0.00 C ATOM 478 O SER A 34 -6.142 -1.263 -8.061 1.00 0.00 O ATOM 479 CB SER A 34 -7.000 -4.398 -8.743 1.00 0.00 C ATOM 480 OG SER A 34 -6.639 -5.763 -8.867 1.00 0.00 O ATOM 0 H SER A 34 -5.321 -4.116 -6.932 1.00 0.00 H new ATOM 0 HA SER A 34 -5.226 -3.769 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.474 -4.230 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.734 -4.142 -9.507 1.00 0.00 H new ATOM 0 HG SER A 34 -7.438 -6.323 -8.773 1.00 0.00 H new ATOM 486 N ALA A 35 -6.684 -1.674 -10.206 1.00 0.00 N ATOM 487 CA ALA A 35 -7.141 -0.315 -10.465 1.00 0.00 C ATOM 488 C ALA A 35 -8.511 -0.315 -11.137 1.00 0.00 C ATOM 489 O ALA A 35 -9.100 -1.372 -11.365 1.00 0.00 O ATOM 490 CB ALA A 35 -6.130 0.427 -11.326 1.00 0.00 C ATOM 0 H ALA A 35 -6.754 -2.302 -11.006 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.234 0.199 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.485 1.441 -11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.171 0.467 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.009 -0.094 -12.276 1.00 0.00 H new ATOM 496 N ASP A 36 -9.011 0.875 -11.449 1.00 0.00 N ATOM 497 CA ASP A 36 -10.312 1.011 -12.095 1.00 0.00 C ATOM 498 C ASP A 36 -10.323 0.308 -13.449 1.00 0.00 C ATOM 499 O ASP A 36 -11.343 -0.241 -13.867 1.00 0.00 O ATOM 500 CB ASP A 36 -10.665 2.489 -12.271 1.00 0.00 C ATOM 501 CG ASP A 36 -11.802 2.700 -13.252 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.925 2.235 -12.966 1.00 0.00 O ATOM 503 OD2 ASP A 36 -11.569 3.329 -14.305 1.00 0.00 O ATOM 0 H ASP A 36 -8.536 1.759 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.059 0.540 -11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.940 2.911 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.785 3.031 -12.617 1.00 0.00 H new ATOM 508 N CYS A 37 -9.182 0.330 -14.130 1.00 0.00 N ATOM 509 CA CYS A 37 -9.060 -0.304 -15.438 1.00 0.00 C ATOM 510 C CYS A 37 -8.726 -1.786 -15.295 1.00 0.00 C ATOM 511 O CYS A 37 -7.976 -2.344 -16.095 1.00 0.00 O ATOM 512 CB CYS A 37 -7.982 0.395 -16.268 1.00 0.00 C ATOM 513 SG CYS A 37 -6.371 0.535 -15.429 1.00 0.00 S ATOM 0 H CYS A 37 -8.329 0.780 -13.798 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.019 -0.213 -15.949 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.847 -0.151 -17.202 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.331 1.394 -16.530 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.485 0.991 -16.264 1.00 0.00 H new ATOM 518 N ASN A 38 -9.288 -2.417 -14.269 1.00 0.00 N ATOM 519 CA ASN A 38 -9.050 -3.835 -14.020 1.00 0.00 C ATOM 520 C ASN A 38 -7.600 -4.203 -14.321 1.00 0.00 C ATOM 521 O ASN A 38 -7.325 -5.240 -14.926 1.00 0.00 O ATOM 522 CB ASN A 38 -9.992 -4.689 -14.871 1.00 0.00 C ATOM 523 CG ASN A 38 -10.224 -6.063 -14.275 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.010 -6.223 -13.341 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.537 -7.065 -14.813 1.00 0.00 N ATOM 0 H ASN A 38 -9.911 -1.969 -13.597 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.246 -4.032 -12.966 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.948 -4.176 -14.976 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.576 -4.796 -15.873 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.651 -8.013 -14.453 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.896 -6.887 -15.586 1.00 0.00 H new ATOM 532 N HIS A 39 -6.677 -3.348 -13.894 1.00 0.00 N ATOM 533 CA HIS A 39 -5.255 -3.584 -14.116 1.00 0.00 C ATOM 534 C HIS A 39 -4.475 -3.471 -12.810 1.00 0.00 C ATOM 535 O HIS A 39 -4.565 -2.465 -12.107 1.00 0.00 O ATOM 536 CB HIS A 39 -4.705 -2.590 -15.140 1.00 0.00 C ATOM 537 CG HIS A 39 -5.205 -2.825 -16.532 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.206 -1.850 -17.506 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.722 -3.934 -17.111 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.703 -2.348 -18.624 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.023 -3.611 -18.412 1.00 0.00 N ATOM 0 H HIS A 39 -6.888 -2.485 -13.392 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.136 -4.596 -14.503 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.973 -1.579 -14.833 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.616 -2.646 -15.140 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.870 -4.894 -16.638 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.827 -1.813 -19.554 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.428 -4.244 -19.102 1.00 0.00 H new ATOM 549 N SER A 40 -3.710 -4.511 -12.491 1.00 0.00 N ATOM 550 CA SER A 40 -2.918 -4.530 -11.267 1.00 0.00 C ATOM 551 C SER A 40 -1.429 -4.641 -11.585 1.00 0.00 C ATOM 552 O SER A 40 -1.040 -5.233 -12.592 1.00 0.00 O ATOM 553 CB SER A 40 -3.348 -5.695 -10.374 1.00 0.00 C ATOM 554 OG SER A 40 -2.899 -5.510 -9.043 1.00 0.00 O ATOM 0 H SER A 40 -3.622 -5.351 -13.063 1.00 0.00 H new ATOM 0 HA SER A 40 -3.090 -3.593 -10.738 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.434 -5.784 -10.386 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.947 -6.628 -10.770 1.00 0.00 H new ATOM 0 HG SER A 40 -3.318 -6.177 -8.461 1.00 0.00 H new ATOM 560 N PHE A 41 -0.601 -4.067 -10.718 1.00 0.00 N ATOM 561 CA PHE A 41 0.844 -4.100 -10.906 1.00 0.00 C ATOM 562 C PHE A 41 1.566 -4.154 -9.562 1.00 0.00 C ATOM 563 O PHE A 41 0.978 -3.874 -8.517 1.00 0.00 O ATOM 564 CB PHE A 41 1.306 -2.873 -11.696 1.00 0.00 C ATOM 565 CG PHE A 41 0.306 -2.406 -12.715 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.841 -1.735 -12.322 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.513 -2.638 -14.065 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.763 -1.303 -13.258 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.405 -2.209 -15.005 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.545 -1.541 -14.600 1.00 0.00 C ATOM 0 H PHE A 41 -0.906 -3.574 -9.879 1.00 0.00 H new ATOM 0 HA PHE A 41 1.091 -5.000 -11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.512 -2.059 -11.001 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.244 -3.107 -12.200 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.017 -1.547 -11.273 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.402 -3.160 -14.387 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.653 -0.780 -12.939 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.232 -2.396 -16.055 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.264 -1.206 -15.333 1.00 0.00 H new ATOM 580 N CYS A 42 2.843 -4.518 -9.598 1.00 0.00 N ATOM 581 CA CYS A 42 3.647 -4.611 -8.385 1.00 0.00 C ATOM 582 C CYS A 42 3.561 -3.320 -7.575 1.00 0.00 C ATOM 583 O CYS A 42 3.840 -2.235 -8.086 1.00 0.00 O ATOM 584 CB CYS A 42 5.106 -4.910 -8.736 1.00 0.00 C ATOM 585 SG CYS A 42 5.323 -6.310 -9.881 1.00 0.00 S ATOM 0 H CYS A 42 3.344 -4.754 -10.455 1.00 0.00 H new ATOM 0 HA CYS A 42 3.252 -5.426 -7.779 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.552 -4.020 -9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.654 -5.117 -7.817 1.00 0.00 H new ATOM 0 HG CYS A 42 5.031 -5.931 -11.090 1.00 0.00 H new ATOM 590 N ARG A 43 3.172 -3.446 -6.311 1.00 0.00 N ATOM 591 CA ARG A 43 3.049 -2.291 -5.431 1.00 0.00 C ATOM 592 C ARG A 43 4.119 -1.250 -5.747 1.00 0.00 C ATOM 593 O ARG A 43 3.843 -0.051 -5.775 1.00 0.00 O ATOM 594 CB ARG A 43 3.159 -2.723 -3.967 1.00 0.00 C ATOM 595 CG ARG A 43 2.384 -1.834 -3.009 1.00 0.00 C ATOM 596 CD ARG A 43 1.903 -2.611 -1.793 1.00 0.00 C ATOM 597 NE ARG A 43 0.974 -1.833 -0.979 1.00 0.00 N ATOM 598 CZ ARG A 43 0.455 -2.269 0.164 1.00 0.00 C ATOM 599 NH1 ARG A 43 0.774 -3.470 0.624 1.00 0.00 N ATOM 600 NH2 ARG A 43 -0.384 -1.502 0.848 1.00 0.00 N ATOM 0 H ARG A 43 2.937 -4.337 -5.873 1.00 0.00 H new ATOM 0 HA ARG A 43 2.070 -1.843 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.798 -3.747 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.210 -2.727 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.016 -1.007 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.529 -1.399 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.417 -3.530 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.761 -2.902 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 43 0.709 -0.904 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.419 -4.062 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.374 -3.803 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.631 -0.577 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.782 -1.837 1.725 1.00 0.00 H new ATOM 614 N ALA A 44 5.340 -1.717 -5.983 1.00 0.00 N ATOM 615 CA ALA A 44 6.450 -0.827 -6.299 1.00 0.00 C ATOM 616 C ALA A 44 6.341 -0.296 -7.724 1.00 0.00 C ATOM 617 O ALA A 44 6.213 0.909 -7.940 1.00 0.00 O ATOM 618 CB ALA A 44 7.776 -1.547 -6.102 1.00 0.00 C ATOM 0 H ALA A 44 5.586 -2.707 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 44 6.406 0.023 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.596 -0.871 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.864 -1.871 -5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.819 -2.416 -6.758 1.00 0.00 H new ATOM 624 N CYS A 45 6.392 -1.203 -8.694 1.00 0.00 N ATOM 625 CA CYS A 45 6.300 -0.827 -10.099 1.00 0.00 C ATOM 626 C CYS A 45 5.300 0.309 -10.294 1.00 0.00 C ATOM 627 O CYS A 45 5.667 1.409 -10.709 1.00 0.00 O ATOM 628 CB CYS A 45 5.889 -2.033 -10.946 1.00 0.00 C ATOM 629 SG CYS A 45 7.228 -3.237 -11.222 1.00 0.00 S ATOM 0 H CYS A 45 6.497 -2.205 -8.532 1.00 0.00 H new ATOM 0 HA CYS A 45 7.283 -0.483 -10.422 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.055 -2.538 -10.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.528 -1.679 -11.912 1.00 0.00 H new ATOM 0 HG CYS A 45 6.838 -4.416 -10.836 1.00 0.00 H new ATOM 634 N ILE A 46 4.035 0.035 -9.990 1.00 0.00 N ATOM 635 CA ILE A 46 2.983 1.034 -10.130 1.00 0.00 C ATOM 636 C ILE A 46 3.404 2.365 -9.519 1.00 0.00 C ATOM 637 O ILE A 46 3.029 3.432 -10.006 1.00 0.00 O ATOM 638 CB ILE A 46 1.673 0.568 -9.467 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.540 1.546 -9.783 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.860 0.433 -7.963 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.092 1.322 -11.139 1.00 0.00 C ATOM 0 H ILE A 46 3.715 -0.870 -9.645 1.00 0.00 H new ATOM 0 HA ILE A 46 2.813 1.166 -11.199 1.00 0.00 H new ATOM 0 HB ILE A 46 1.406 -0.409 -9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.228 1.460 -9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.926 2.564 -9.735 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.926 0.103 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.642 -0.298 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.147 1.398 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.887 2.051 -11.295 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.664 1.437 -11.916 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.509 0.316 -11.185 1.00 0.00 H new ATOM 653 N THR A 47 4.188 2.297 -8.447 1.00 0.00 N ATOM 654 CA THR A 47 4.661 3.496 -7.768 1.00 0.00 C ATOM 655 C THR A 47 5.732 4.206 -8.589 1.00 0.00 C ATOM 656 O THR A 47 5.670 5.419 -8.793 1.00 0.00 O ATOM 657 CB THR A 47 5.232 3.166 -6.376 1.00 0.00 C ATOM 658 OG1 THR A 47 4.272 2.423 -5.617 1.00 0.00 O ATOM 659 CG2 THR A 47 5.604 4.437 -5.628 1.00 0.00 C ATOM 0 H THR A 47 4.509 1.423 -8.031 1.00 0.00 H new ATOM 0 HA THR A 47 3.800 4.154 -7.652 1.00 0.00 H new ATOM 0 HB THR A 47 6.132 2.566 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.231 1.503 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.005 4.178 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.356 4.986 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.718 5.059 -5.505 1.00 0.00 H new ATOM 667 N LEU A 48 6.714 3.443 -9.058 1.00 0.00 N ATOM 668 CA LEU A 48 7.799 3.999 -9.858 1.00 0.00 C ATOM 669 C LEU A 48 7.278 4.533 -11.188 1.00 0.00 C ATOM 670 O LEU A 48 7.802 5.506 -11.727 1.00 0.00 O ATOM 671 CB LEU A 48 8.872 2.938 -10.106 1.00 0.00 C ATOM 672 CG LEU A 48 9.889 3.255 -11.203 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.797 4.398 -10.775 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.709 2.019 -11.544 1.00 0.00 C ATOM 0 H LEU A 48 6.781 2.438 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 48 8.238 4.828 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.413 2.772 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.376 2.001 -10.358 1.00 0.00 H new ATOM 0 HG LEU A 48 9.346 3.564 -12.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.514 4.610 -11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.197 5.287 -10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.332 4.118 -9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.427 2.263 -12.326 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.242 1.679 -10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.046 1.228 -11.894 1.00 0.00 H new ATOM 686 N ASN A 49 6.239 3.889 -11.712 1.00 0.00 N ATOM 687 CA ASN A 49 5.645 4.299 -12.979 1.00 0.00 C ATOM 688 C ASN A 49 4.754 5.523 -12.790 1.00 0.00 C ATOM 689 O ASN A 49 4.824 6.480 -13.562 1.00 0.00 O ATOM 690 CB ASN A 49 4.833 3.151 -13.581 1.00 0.00 C ATOM 691 CG ASN A 49 5.633 2.339 -14.581 1.00 0.00 C ATOM 692 OD1 ASN A 49 6.126 1.256 -14.266 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.766 2.861 -15.795 1.00 0.00 N ATOM 0 H ASN A 49 5.792 3.081 -11.278 1.00 0.00 H new ATOM 0 HA ASN A 49 6.452 4.561 -13.663 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.485 2.497 -12.781 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.947 3.554 -14.071 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.294 2.361 -16.510 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.340 3.762 -16.012 1.00 0.00 H new ATOM 700 N TYR A 50 3.917 5.485 -11.759 1.00 0.00 N ATOM 701 CA TYR A 50 3.011 6.590 -11.469 1.00 0.00 C ATOM 702 C TYR A 50 3.786 7.835 -11.051 1.00 0.00 C ATOM 703 O TYR A 50 3.573 8.922 -11.588 1.00 0.00 O ATOM 704 CB TYR A 50 2.026 6.194 -10.368 1.00 0.00 C ATOM 705 CG TYR A 50 1.447 7.374 -9.620 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.469 8.175 -10.197 1.00 0.00 C ATOM 707 CD2 TYR A 50 1.878 7.687 -8.337 1.00 0.00 C ATOM 708 CE1 TYR A 50 -0.062 9.254 -9.517 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.352 8.764 -7.650 1.00 0.00 C ATOM 710 CZ TYR A 50 0.383 9.545 -8.244 1.00 0.00 C ATOM 711 OH TYR A 50 -0.145 10.618 -7.564 1.00 0.00 O ATOM 0 H TYR A 50 3.847 4.701 -11.110 1.00 0.00 H new ATOM 0 HA TYR A 50 2.456 6.819 -12.378 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.212 5.620 -10.810 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.531 5.538 -9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.118 7.950 -11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.637 7.078 -7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.822 9.867 -9.980 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.698 8.993 -6.653 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.633 10.298 -6.777 1.00 0.00 H new ATOM 721 N GLU A 51 4.687 7.668 -10.088 1.00 0.00 N ATOM 722 CA GLU A 51 5.494 8.778 -9.596 1.00 0.00 C ATOM 723 C GLU A 51 5.980 9.651 -10.750 1.00 0.00 C ATOM 724 O GLU A 51 6.218 10.846 -10.581 1.00 0.00 O ATOM 725 CB GLU A 51 6.692 8.254 -8.800 1.00 0.00 C ATOM 726 CG GLU A 51 6.334 7.786 -7.400 1.00 0.00 C ATOM 727 CD GLU A 51 6.280 8.925 -6.400 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.353 9.456 -6.047 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.163 9.284 -5.971 1.00 0.00 O ATOM 0 H GLU A 51 4.876 6.775 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 51 4.869 9.385 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.146 7.427 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.443 9.041 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.367 7.283 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.067 7.051 -7.068 1.00 0.00 H new ATOM 861 N ASN A 61 -1.366 7.987 -15.133 1.00 0.00 N ATOM 862 CA ASN A 61 -1.815 7.259 -16.314 1.00 0.00 C ATOM 863 C ASN A 61 -1.330 5.813 -16.280 1.00 0.00 C ATOM 864 O ASN A 61 -0.268 5.516 -15.732 1.00 0.00 O ATOM 865 CB ASN A 61 -1.313 7.948 -17.585 1.00 0.00 C ATOM 866 CG ASN A 61 -2.037 9.252 -17.861 1.00 0.00 C ATOM 867 OD1 ASN A 61 -3.242 9.265 -18.111 1.00 0.00 O ATOM 868 ND2 ASN A 61 -1.302 10.357 -17.816 1.00 0.00 N ATOM 0 HA ASN A 61 -2.905 7.257 -16.316 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.244 8.142 -17.492 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.443 7.277 -18.434 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.734 11.264 -17.993 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.306 10.299 -17.605 1.00 0.00 H new ATOM 875 N CYS A 62 -2.114 4.918 -16.871 1.00 0.00 N ATOM 876 CA CYS A 62 -1.765 3.503 -16.909 1.00 0.00 C ATOM 877 C CYS A 62 -0.872 3.195 -18.107 1.00 0.00 C ATOM 878 O CYS A 62 -1.196 3.512 -19.252 1.00 0.00 O ATOM 879 CB CYS A 62 -3.031 2.646 -16.969 1.00 0.00 C ATOM 880 SG CYS A 62 -2.718 0.852 -16.919 1.00 0.00 S ATOM 0 H CYS A 62 -2.995 5.147 -17.330 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.216 3.265 -15.998 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.678 2.914 -16.134 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.575 2.884 -17.883 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.093 0.551 -15.820 1.00 0.00 H new ATOM 885 N PRO A 63 0.279 2.561 -17.840 1.00 0.00 N ATOM 886 CA PRO A 63 1.242 2.195 -18.882 1.00 0.00 C ATOM 887 C PRO A 63 0.725 1.080 -19.784 1.00 0.00 C ATOM 888 O PRO A 63 1.454 0.564 -20.631 1.00 0.00 O ATOM 889 CB PRO A 63 2.461 1.718 -18.088 1.00 0.00 C ATOM 890 CG PRO A 63 1.907 1.262 -16.782 1.00 0.00 C ATOM 891 CD PRO A 63 0.729 2.152 -16.498 1.00 0.00 C ATOM 0 HA PRO A 63 1.452 3.028 -19.552 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.977 0.908 -18.604 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.185 2.522 -17.952 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.603 0.216 -16.831 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.654 1.340 -15.992 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.054 1.622 -15.956 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.012 3.011 -15.890 1.00 0.00 H new ATOM 899 N VAL A 64 -0.539 0.713 -19.598 1.00 0.00 N ATOM 900 CA VAL A 64 -1.155 -0.340 -20.396 1.00 0.00 C ATOM 901 C VAL A 64 -2.313 0.204 -21.224 1.00 0.00 C ATOM 902 O VAL A 64 -2.354 0.032 -22.443 1.00 0.00 O ATOM 903 CB VAL A 64 -1.669 -1.490 -19.508 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.345 -2.557 -20.355 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.529 -2.085 -18.696 1.00 0.00 C ATOM 0 H VAL A 64 -1.156 1.130 -18.901 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.383 -0.723 -21.064 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.408 -1.089 -18.815 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.702 -3.361 -19.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.188 -2.118 -20.888 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.630 -2.958 -21.074 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.909 -2.896 -18.075 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.235 -2.472 -19.370 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.094 -1.314 -18.060 1.00 0.00 H new ATOM 915 N CYS A 65 -3.254 0.863 -20.556 1.00 0.00 N ATOM 916 CA CYS A 65 -4.414 1.434 -21.229 1.00 0.00 C ATOM 917 C CYS A 65 -4.311 2.955 -21.294 1.00 0.00 C ATOM 918 O CYS A 65 -4.998 3.600 -22.087 1.00 0.00 O ATOM 919 CB CYS A 65 -5.700 1.029 -20.505 1.00 0.00 C ATOM 920 SG CYS A 65 -5.789 1.595 -18.776 1.00 0.00 S ATOM 0 H CYS A 65 -3.235 1.015 -19.548 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.440 1.046 -22.247 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.554 1.430 -21.052 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.789 -0.057 -20.526 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.764 1.141 -18.117 1.00 0.00 H new ATOM 925 N ARG A 66 -3.449 3.521 -20.457 1.00 0.00 N ATOM 926 CA ARG A 66 -3.256 4.965 -20.418 1.00 0.00 C ATOM 927 C ARG A 66 -4.534 5.672 -19.978 1.00 0.00 C ATOM 928 O ARG A 66 -4.921 6.692 -20.549 1.00 0.00 O ATOM 929 CB ARG A 66 -2.823 5.480 -21.792 1.00 0.00 C ATOM 930 CG ARG A 66 -1.479 4.937 -22.250 1.00 0.00 C ATOM 931 CD ARG A 66 -0.326 5.667 -21.581 1.00 0.00 C ATOM 932 NE ARG A 66 0.868 5.693 -22.422 1.00 0.00 N ATOM 933 CZ ARG A 66 1.582 4.612 -22.716 1.00 0.00 C ATOM 934 NH1 ARG A 66 1.225 3.427 -22.241 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.657 4.716 -23.489 1.00 0.00 N ATOM 0 H ARG A 66 -2.872 3.001 -19.796 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.472 5.182 -19.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.583 5.213 -22.527 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.775 6.569 -21.764 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.419 3.873 -22.022 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.395 5.036 -23.332 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.629 6.688 -21.350 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.091 5.182 -20.633 1.00 0.00 H new ATOM 0 HE ARG A 66 1.170 6.589 -22.804 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.400 3.343 -21.648 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.776 2.599 -22.469 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.934 5.626 -23.857 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.205 3.886 -23.715 1.00 0.00 H new ATOM 949 N VAL A 67 -5.187 5.123 -18.959 1.00 0.00 N ATOM 950 CA VAL A 67 -6.422 5.702 -18.441 1.00 0.00 C ATOM 951 C VAL A 67 -6.179 6.422 -17.120 1.00 0.00 C ATOM 952 O VAL A 67 -5.530 5.903 -16.211 1.00 0.00 O ATOM 953 CB VAL A 67 -7.503 4.624 -18.235 1.00 0.00 C ATOM 954 CG1 VAL A 67 -8.785 5.248 -17.704 1.00 0.00 C ATOM 955 CG2 VAL A 67 -7.763 3.875 -19.533 1.00 0.00 C ATOM 0 H VAL A 67 -4.882 4.278 -18.475 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.772 6.420 -19.183 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.142 3.909 -17.496 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.537 4.471 -17.565 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.585 5.735 -16.749 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.153 5.986 -18.417 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.529 3.117 -19.369 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.103 4.576 -20.296 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.843 3.394 -19.866 1.00 0.00 H new ATOM 965 N PRO A 68 -6.714 7.647 -17.007 1.00 0.00 N ATOM 966 CA PRO A 68 -6.570 8.466 -15.799 1.00 0.00 C ATOM 967 C PRO A 68 -7.360 7.906 -14.622 1.00 0.00 C ATOM 968 O PRO A 68 -8.591 7.952 -14.610 1.00 0.00 O ATOM 969 CB PRO A 68 -7.132 9.825 -16.223 1.00 0.00 C ATOM 970 CG PRO A 68 -8.078 9.515 -17.331 1.00 0.00 C ATOM 971 CD PRO A 68 -7.500 8.328 -18.050 1.00 0.00 C ATOM 0 HA PRO A 68 -5.537 8.506 -15.454 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.640 10.319 -15.395 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.339 10.495 -16.555 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.072 9.291 -16.944 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.183 10.366 -18.004 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.281 7.682 -18.451 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.875 8.632 -18.890 1.00 0.00 H new ATOM 979 N TYR A 69 -6.647 7.378 -13.634 1.00 0.00 N ATOM 980 CA TYR A 69 -7.283 6.807 -12.452 1.00 0.00 C ATOM 981 C TYR A 69 -6.899 7.585 -11.197 1.00 0.00 C ATOM 982 O TYR A 69 -5.790 8.105 -11.073 1.00 0.00 O ATOM 983 CB TYR A 69 -6.889 5.338 -12.295 1.00 0.00 C ATOM 984 CG TYR A 69 -5.403 5.125 -12.111 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.833 5.126 -10.844 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.569 4.925 -13.204 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.476 4.933 -10.671 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.212 4.729 -13.040 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.670 4.735 -11.772 1.00 0.00 C ATOM 990 OH TYR A 69 -1.318 4.542 -11.605 1.00 0.00 O ATOM 0 H TYR A 69 -5.628 7.333 -13.628 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.363 6.875 -12.583 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.416 4.919 -11.438 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.220 4.786 -13.174 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.462 5.280 -9.979 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.989 4.923 -14.199 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.049 4.937 -9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.578 4.572 -13.900 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.895 4.416 -12.480 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.838 7.668 -10.243 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.622 8.379 -8.980 1.00 0.00 C ATOM 1002 C PRO A 70 -6.626 7.663 -8.074 1.00 0.00 C ATOM 1003 O PRO A 70 -6.916 6.594 -7.537 1.00 0.00 O ATOM 1004 CB PRO A 70 -9.012 8.394 -8.339 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.711 7.215 -8.924 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.182 7.073 -10.324 1.00 0.00 C ATOM 0 HA PRO A 70 -7.200 9.371 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.948 8.318 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.542 9.320 -8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.515 6.316 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.791 7.364 -8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.141 6.029 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.810 7.595 -11.046 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.450 8.260 -7.908 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.409 7.678 -7.068 1.00 0.00 C ATOM 1016 C PHE A 71 -4.933 7.415 -5.659 1.00 0.00 C ATOM 1017 O PHE A 71 -5.902 8.032 -5.219 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.195 8.607 -7.007 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.957 7.941 -6.477 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.386 6.873 -7.150 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.366 8.383 -5.304 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.247 6.259 -6.665 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -0.227 7.773 -4.814 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.333 6.708 -5.495 1.00 0.00 C ATOM 0 H PHE A 71 -5.194 9.146 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.109 6.728 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.991 8.992 -8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.435 9.464 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.836 6.516 -8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.800 9.213 -4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.189 5.429 -7.201 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.225 8.128 -3.900 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.222 6.228 -5.113 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.284 6.491 -4.956 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.698 6.161 -3.605 1.00 0.00 C ATOM 1036 C GLY A 72 -5.843 5.168 -3.576 1.00 0.00 C ATOM 1037 O GLY A 72 -5.997 4.415 -2.615 1.00 0.00 O ATOM 0 H GLY A 72 -3.479 5.966 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.850 5.749 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.998 7.072 -3.087 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.651 5.167 -4.632 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.789 4.261 -4.722 1.00 0.00 C ATOM 1043 C ASN A 73 -7.360 2.899 -5.260 1.00 0.00 C ATOM 1044 O ASN A 73 -8.076 2.275 -6.044 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.873 4.858 -5.622 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.640 5.975 -4.940 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.812 5.818 -4.598 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -8.980 7.109 -4.740 1.00 0.00 N ATOM 0 H ASN A 73 -6.538 5.784 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.193 4.125 -3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.414 5.240 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.568 4.073 -5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.444 7.896 -4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.009 7.194 -5.040 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.187 2.444 -4.834 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.661 1.156 -5.272 1.00 0.00 C ATOM 1057 C LEU A 74 -5.840 0.098 -4.188 1.00 0.00 C ATOM 1058 O LEU A 74 -5.369 0.261 -3.062 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.181 1.284 -5.636 1.00 0.00 C ATOM 1060 CG LEU A 74 -3.845 2.287 -6.740 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.392 2.723 -6.642 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.134 1.689 -8.109 1.00 0.00 C ATOM 0 H LEU A 74 -5.582 2.948 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.220 0.844 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.630 1.564 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.816 0.303 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.475 3.167 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.172 3.437 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.217 3.192 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.743 1.853 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.889 2.417 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.530 0.793 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.190 1.429 -8.177 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.521 -0.988 -4.535 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.760 -2.076 -3.594 1.00 0.00 C ATOM 1076 C LYS A 75 -5.507 -2.928 -3.417 1.00 0.00 C ATOM 1077 O LYS A 75 -4.690 -3.068 -4.327 1.00 0.00 O ATOM 1078 CB LYS A 75 -7.920 -2.950 -4.077 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.266 -2.246 -4.047 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.413 -3.228 -4.216 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.762 -2.535 -4.103 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.233 -2.020 -5.419 1.00 0.00 N ATOM 0 H LYS A 75 -6.918 -1.139 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.019 -1.639 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.715 -3.281 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.973 -3.844 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.378 -1.713 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.305 -1.500 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.334 -3.717 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.339 -4.009 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.497 -3.233 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.688 -1.709 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.155 -1.555 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.545 -1.334 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.328 -2.811 -6.087 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.352 -3.512 -2.220 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.202 -4.361 -1.897 1.00 0.00 C ATOM 1098 C PRO A 76 -4.231 -5.687 -2.649 1.00 0.00 C ATOM 1099 O PRO A 76 -3.360 -6.536 -2.464 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.346 -4.597 -0.391 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.802 -4.431 -0.120 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.287 -3.388 -1.089 1.00 0.00 C ATOM 0 HA PRO A 76 -3.259 -3.894 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.002 -5.593 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.753 -3.883 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.335 -5.372 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.974 -4.117 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.316 -3.573 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.259 -2.390 -0.652 1.00 0.00 H new