USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 48 MET CE :methyl 170:sc= 0 (180deg=-0.00725) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0239) USER MOD Single : A 1 MET N :NH3+ 171:sc=-0.000494 (180deg=-0.101) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= 0.864 (180deg=-0.634) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : +bothHN:sc= 0.451 K(o=0.45,f=-3.6!) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc=-0.00584 (180deg=-0.0493) USER MOD Single : A 49 ASN : amide:sc= -0.0635 K(o=-0.064,f=-2.6!) USER MOD Single : A 50 MET CE :methyl -172:sc= 0 (180deg=-0.135) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= -0.14 (180deg=-0.205) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 62 THR OG1 : rot 135:sc= 0.0646 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.854) USER MOD Single : A 75 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.52) USER MOD Single : A 78 GLN : amide:sc= -1.51 X(o=-1.5,f=-1) USER MOD Single : A 80 HIS : no HE2:sc=-0.00785 K(o=-0.0078,f=-2.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00398) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.803 K(o=0.8,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.457 -4.168 10.925 1.00 -0.46 N ATOM 2 CA MET A 1 -14.744 -3.725 9.570 1.00 0.04 C ATOM 3 C MET A 1 -13.452 -3.390 8.816 1.00 0.62 C ATOM 4 O MET A 1 -13.407 -2.413 8.072 1.00 -0.50 O ATOM 5 CB MET A 1 -15.733 -2.548 9.607 1.00 -0.15 C ATOM 6 CG MET A 1 -15.216 -1.349 10.418 1.00 -0.05 C ATOM 7 SD MET A 1 -16.198 0.168 10.258 1.00 0.74 S ATOM 8 CE MET A 1 -17.790 -0.363 10.935 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.345 -4.242 11.461 1.00 -0.46 H new ATOM 0 H2 MET A 1 -13.992 -5.098 10.895 1.00 -0.46 H new ATOM 0 H3 MET A 1 -13.829 -3.481 11.389 1.00 -0.46 H new ATOM 0 HA MET A 1 -15.218 -4.536 9.016 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.943 -2.226 8.587 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -16.677 -2.888 10.034 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -15.179 -1.630 11.470 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -14.193 -1.135 10.109 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.473 0.486 10.967 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -18.212 -1.145 10.303 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.645 -0.750 11.943 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.405 -4.204 9.013 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.075 -4.034 8.432 1.00 0.04 C ATOM 20 C PHE A 2 -10.367 -2.787 8.973 1.00 0.62 C ATOM 21 O PHE A 2 -11.000 -1.800 9.346 1.00 -0.50 O ATOM 22 CB PHE A 2 -11.118 -4.052 6.896 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.801 -5.272 6.303 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -11.112 -6.496 6.242 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -13.128 -5.195 5.834 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -11.724 -7.625 5.673 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -13.738 -6.324 5.259 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.035 -7.537 5.173 1.00 -0.15 C ATOM 0 H PHE A 2 -12.469 -5.031 9.606 1.00 -0.46 H new ATOM 0 HA PHE A 2 -10.479 -4.892 8.744 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -11.634 -3.157 6.548 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -10.098 -4.000 6.515 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -10.108 -6.568 6.634 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -13.677 -4.268 5.916 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -11.187 -8.561 5.620 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -14.748 -6.258 4.883 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -13.501 -8.401 4.723 1.00 -0.15 H new ATOM 38 N THR A 3 -9.032 -2.844 9.035 1.00 -0.46 N ATOM 39 CA THR A 3 -8.205 -1.767 9.560 1.00 0.04 C ATOM 40 C THR A 3 -6.906 -1.734 8.761 1.00 0.62 C ATOM 41 O THR A 3 -5.925 -2.373 9.137 1.00 -0.50 O ATOM 42 CB THR A 3 -7.967 -1.963 11.068 1.00 0.17 C ATOM 43 OG1 THR A 3 -9.202 -2.136 11.732 1.00 -0.55 O ATOM 44 CG2 THR A 3 -7.254 -0.750 11.675 1.00 -0.19 C ATOM 0 H THR A 3 -8.495 -3.651 8.717 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.704 -0.804 9.451 1.00 0.04 H new ATOM 0 HB THR A 3 -7.342 -2.847 11.194 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.043 -2.262 12.691 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -7.099 -0.915 12.741 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -6.290 -0.612 11.185 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.865 0.141 11.531 1.00 -0.19 H new ATOM 52 N ILE A 4 -6.908 -0.989 7.650 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.731 -0.819 6.817 1.00 0.04 C ATOM 54 C ILE A 4 -4.834 0.203 7.516 1.00 0.62 C ATOM 55 O ILE A 4 -5.079 1.408 7.439 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.114 -0.401 5.384 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.040 -1.401 4.663 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -4.842 -0.244 4.536 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.518 -1.278 5.047 1.00 -0.09 C ATOM 0 H ILE A 4 -7.730 -0.490 7.310 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.191 -1.759 6.702 1.00 0.04 H new ATOM 0 HB ILE A 4 -6.660 0.537 5.487 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -6.943 -1.258 3.587 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.703 -2.414 4.882 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.114 0.052 3.523 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.202 0.520 4.977 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.306 -1.192 4.505 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.100 -2.017 4.496 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -8.632 -1.452 6.117 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -8.876 -0.278 4.802 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.809 -0.290 8.221 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.838 0.534 8.920 1.00 0.04 C ATOM 73 C ASN A 5 -1.899 1.172 7.896 1.00 0.62 C ATOM 74 O ASN A 5 -0.887 0.580 7.528 1.00 -0.50 O ATOM 75 CB ASN A 5 -2.082 -0.322 9.945 1.00 -0.09 C ATOM 76 CG ASN A 5 -1.022 0.485 10.693 1.00 0.68 C ATOM 77 OD1 ASN A 5 0.165 0.180 10.613 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -1.447 1.514 11.431 1.00 -0.87 N ATOM 0 H ASN A 5 -3.635 -1.290 8.318 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.335 1.335 9.467 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -2.790 -0.741 10.660 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -1.607 -1.161 9.437 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -0.777 2.078 11.954 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -2.442 1.736 11.472 1.00 -0.87 H new ATOM 85 N ALA A 6 -2.264 2.371 7.428 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.542 3.118 6.411 1.00 0.04 C ATOM 87 C ALA A 6 -0.958 4.400 7.005 1.00 0.62 C ATOM 88 O ALA A 6 -1.101 4.677 8.196 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.501 3.428 5.256 1.00 -0.10 C ATOM 0 H ALA A 6 -3.097 2.857 7.762 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.709 2.525 6.034 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -1.973 3.989 4.485 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -2.876 2.495 4.834 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.337 4.021 5.627 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.299 5.186 6.151 1.00 -0.46 N ATOM 96 CA GLU A 7 0.272 6.476 6.492 1.00 0.04 C ATOM 97 C GLU A 7 0.498 7.251 5.196 1.00 0.62 C ATOM 98 O GLU A 7 0.443 6.672 4.110 1.00 -0.50 O ATOM 99 CB GLU A 7 1.586 6.282 7.272 1.00 -0.18 C ATOM 100 CG GLU A 7 1.511 6.947 8.650 1.00 -0.40 C ATOM 101 CD GLU A 7 2.787 6.701 9.447 1.00 0.71 C ATOM 102 OE1 GLU A 7 3.728 7.506 9.280 1.00 -0.72 O ATOM 103 OE2 GLU A 7 2.803 5.705 10.204 1.00 -0.72 O ATOM 0 H GLU A 7 -0.147 4.928 5.176 1.00 -0.46 H new ATOM 0 HA GLU A 7 -0.404 7.040 7.134 1.00 0.04 H new ATOM 0 HB2 GLU A 7 1.790 5.218 7.389 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.415 6.705 6.705 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 1.353 8.019 8.532 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 0.654 6.557 9.199 1.00 -0.40 H new ATOM 110 N VAL A 8 0.763 8.557 5.317 1.00 -0.46 N ATOM 111 CA VAL A 8 1.129 9.406 4.191 1.00 0.04 C ATOM 112 C VAL A 8 2.401 8.865 3.529 1.00 0.62 C ATOM 113 O VAL A 8 3.233 8.256 4.202 1.00 -0.50 O ATOM 114 CB VAL A 8 1.287 10.871 4.638 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.044 11.418 5.173 1.00 -0.09 C ATOM 116 CG2 VAL A 8 2.384 11.062 5.694 1.00 -0.09 C ATOM 0 H VAL A 8 0.728 9.052 6.208 1.00 -0.46 H new ATOM 0 HA VAL A 8 0.330 9.388 3.450 1.00 0.04 H new ATOM 0 HB VAL A 8 1.589 11.430 3.752 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 0.087 12.454 5.484 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -0.800 11.367 4.389 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.366 10.821 6.026 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 2.446 12.115 5.968 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 2.145 10.471 6.578 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 3.341 10.736 5.287 1.00 -0.09 H new ATOM 126 N ARG A 9 2.530 9.049 2.209 1.00 -0.46 N ATOM 127 CA ARG A 9 3.589 8.417 1.435 1.00 0.04 C ATOM 128 C ARG A 9 4.941 9.093 1.663 1.00 0.62 C ATOM 129 O ARG A 9 5.379 9.920 0.864 1.00 -0.50 O ATOM 130 CB ARG A 9 3.186 8.296 -0.041 1.00 -0.08 C ATOM 131 CG ARG A 9 4.177 7.390 -0.786 1.00 -0.10 C ATOM 132 CD ARG A 9 3.589 6.873 -2.102 1.00 -0.23 C ATOM 133 NE ARG A 9 3.329 7.959 -3.055 1.00 -0.32 N ATOM 134 CZ ARG A 9 4.258 8.552 -3.824 1.00 0.76 C ATOM 135 NH1 ARG A 9 5.548 8.194 -3.747 1.00 -0.62 N ATOM 136 NH2 ARG A 9 3.889 9.512 -4.682 1.00 -0.62 N ATOM 0 H ARG A 9 1.905 9.637 1.657 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.724 7.397 1.794 1.00 0.04 H new ATOM 0 HB2 ARG A 9 2.179 7.887 -0.119 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 3.166 9.283 -0.503 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 5.094 7.943 -0.989 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 4.447 6.546 -0.151 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 4.277 6.156 -2.549 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 2.660 6.339 -1.899 1.00 -0.23 H new ATOM 0 HE ARG A 9 2.368 8.289 -3.140 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 5.836 7.462 -3.098 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 6.241 8.654 -4.338 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 2.909 9.788 -4.748 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 4.588 9.967 -5.269 1.00 -0.62 H new ATOM 386 N LYS A 25 5.619 -2.611 0.027 1.00 -0.46 N ATOM 387 CA LYS A 25 4.729 -1.576 0.542 1.00 0.04 C ATOM 388 C LYS A 25 4.288 -0.631 -0.583 1.00 0.62 C ATOM 389 O LYS A 25 4.652 0.543 -0.604 1.00 -0.50 O ATOM 390 CB LYS A 25 5.405 -0.884 1.742 1.00 -0.10 C ATOM 391 CG LYS A 25 4.478 0.046 2.535 1.00 -0.16 C ATOM 392 CD LYS A 25 5.208 0.736 3.699 1.00 -0.18 C ATOM 393 CE LYS A 25 5.203 -0.051 5.019 1.00 -0.04 C ATOM 394 NZ LYS A 25 5.900 -1.347 4.935 1.00 -0.14 N ATOM 0 HA LYS A 25 3.802 -2.009 0.917 1.00 0.04 H new ATOM 0 HB2 LYS A 25 5.797 -1.648 2.414 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 6.258 -0.308 1.382 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 4.066 0.802 1.867 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 3.637 -0.527 2.924 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 6.242 0.918 3.405 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 4.749 1.710 3.871 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 5.671 0.554 5.795 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 4.171 -0.222 5.327 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 6.276 -1.600 5.871 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 5.233 -2.080 4.620 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 6.683 -1.276 4.254 1.00 -0.14 H new ATOM 408 N PHE A 26 3.508 -1.167 -1.530 1.00 -0.46 N ATOM 409 CA PHE A 26 3.098 -0.479 -2.752 1.00 0.04 C ATOM 410 C PHE A 26 2.207 0.743 -2.446 1.00 0.62 C ATOM 411 O PHE A 26 1.556 0.780 -1.400 1.00 -0.50 O ATOM 412 CB PHE A 26 2.410 -1.484 -3.693 1.00 -0.10 C ATOM 413 CG PHE A 26 0.937 -1.697 -3.410 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.537 -2.393 -2.256 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.029 -1.039 -4.197 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.808 -2.382 -1.861 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.374 -1.017 -3.791 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.760 -1.676 -2.612 1.00 -0.15 C ATOM 0 H PHE A 26 3.137 -2.115 -1.462 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.981 -0.085 -3.255 1.00 0.04 H new ATOM 0 HB2 PHE A 26 2.524 -1.138 -4.720 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.924 -2.442 -3.620 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.266 -2.936 -1.673 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 0.265 -0.551 -5.114 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -1.113 -2.919 -0.975 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.110 -0.494 -4.384 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.788 -1.639 -2.284 1.00 -0.15 H new ATOM 428 N PRO A 27 2.167 1.750 -3.340 1.00 -0.23 N ATOM 429 CA PRO A 27 1.412 2.977 -3.130 1.00 0.04 C ATOM 430 C PRO A 27 -0.061 2.796 -3.508 1.00 0.53 C ATOM 431 O PRO A 27 -0.391 1.990 -4.378 1.00 -0.50 O ATOM 432 CB PRO A 27 2.081 4.005 -4.043 1.00 -0.12 C ATOM 433 CG PRO A 27 2.518 3.156 -5.236 1.00 -0.12 C ATOM 434 CD PRO A 27 2.930 1.838 -4.577 1.00 -0.01 C ATOM 0 HA PRO A 27 1.418 3.283 -2.084 1.00 0.04 H new ATOM 0 HB2 PRO A 27 1.390 4.795 -4.339 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.929 4.488 -3.557 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.708 3.015 -5.951 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 3.346 3.614 -5.778 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.714 0.992 -5.229 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 4.001 1.821 -4.376 1.00 -0.01 H new ATOM 442 N ALA A 28 -0.943 3.573 -2.871 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.372 3.598 -3.157 1.00 0.04 C ATOM 444 C ALA A 28 -2.910 5.012 -2.954 1.00 0.62 C ATOM 445 O ALA A 28 -2.215 5.858 -2.392 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.086 2.609 -2.241 1.00 -0.10 C ATOM 0 H ALA A 28 -0.672 4.215 -2.126 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.550 3.308 -4.192 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.155 2.625 -2.452 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -2.697 1.606 -2.415 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -2.917 2.889 -1.201 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.141 5.268 -3.418 1.00 -0.46 N ATOM 453 CA ILE A 29 -4.796 6.570 -3.346 1.00 0.04 C ATOM 454 C ILE A 29 -6.197 6.407 -2.749 1.00 0.62 C ATOM 455 O ILE A 29 -6.847 5.381 -2.944 1.00 -0.50 O ATOM 456 CB ILE A 29 -4.821 7.223 -4.747 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.379 7.537 -5.198 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.676 8.500 -4.785 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.286 8.140 -6.603 1.00 -0.09 C ATOM 0 H ILE A 29 -4.718 4.555 -3.863 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.237 7.238 -2.690 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.280 6.511 -5.433 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -2.928 8.228 -4.486 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -2.791 6.620 -5.167 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.660 8.919 -5.791 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.702 8.259 -4.509 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.273 9.229 -4.082 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.241 8.333 -6.848 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.705 7.442 -7.327 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.845 9.075 -6.635 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.658 7.437 -2.029 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.043 7.587 -1.599 1.00 0.04 C ATOM 473 C ILE A 30 -8.640 8.774 -2.352 1.00 0.62 C ATOM 474 O ILE A 30 -7.943 9.759 -2.577 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.113 7.810 -0.074 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.590 6.584 0.697 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.555 8.138 0.349 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.367 6.884 2.184 1.00 -0.09 C ATOM 0 H ILE A 30 -6.059 8.205 -1.725 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.610 6.683 -1.820 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.471 8.655 0.173 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -8.301 5.764 0.597 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.653 6.250 0.251 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.591 8.293 1.427 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -9.886 9.043 -0.159 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.211 7.310 0.079 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.998 5.989 2.684 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.635 7.685 2.288 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.309 7.192 2.638 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.929 8.682 -2.708 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.764 9.785 -3.170 1.00 0.04 C ATOM 492 C TYR A 31 -11.920 9.975 -2.184 1.00 0.62 C ATOM 493 O TYR A 31 -12.217 9.089 -1.383 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.326 9.481 -4.567 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.312 9.522 -5.694 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.404 8.462 -5.876 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.308 10.606 -6.593 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.467 8.511 -6.922 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.383 10.644 -7.649 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.450 9.604 -7.804 1.00 0.46 C ATOM 501 OH TYR A 31 -7.531 9.655 -8.811 1.00 -0.53 O ATOM 0 H TYR A 31 -10.434 7.796 -2.678 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.164 10.693 -3.226 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.786 8.493 -4.549 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.118 10.197 -4.786 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.427 7.611 -5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.018 11.410 -6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.758 7.706 -7.048 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.388 11.472 -8.342 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.658 10.477 -9.329 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.600 11.123 -2.266 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.821 11.356 -1.512 1.00 0.04 C ATOM 513 C GLY A 32 -14.565 12.597 -1.999 1.00 0.62 C ATOM 514 O GLY A 32 -15.095 13.348 -1.182 1.00 -0.50 O ATOM 0 H GLY A 32 -12.317 11.907 -2.854 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.472 10.486 -1.598 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.579 11.470 -0.455 1.00 0.04 H new ATOM 518 N GLY A 33 -14.623 12.788 -3.325 1.00 -0.46 N ATOM 519 CA GLY A 33 -15.357 13.860 -3.984 1.00 0.04 C ATOM 520 C GLY A 33 -14.877 15.237 -3.530 1.00 0.62 C ATOM 521 O GLY A 33 -13.899 15.760 -4.060 1.00 -0.50 O ATOM 0 H GLY A 33 -14.142 12.176 -3.984 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -15.239 13.771 -5.064 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -16.421 13.757 -3.770 1.00 0.04 H new ATOM 525 N LYS A 34 -15.572 15.807 -2.537 1.00 -0.46 N ATOM 526 CA LYS A 34 -15.196 17.040 -1.858 1.00 0.04 C ATOM 527 C LYS A 34 -13.770 16.896 -1.318 1.00 0.62 C ATOM 528 O LYS A 34 -12.922 17.751 -1.569 1.00 -0.50 O ATOM 529 CB LYS A 34 -16.221 17.317 -0.745 1.00 -0.10 C ATOM 530 CG LYS A 34 -16.210 18.746 -0.180 1.00 -0.16 C ATOM 531 CD LYS A 34 -14.972 19.077 0.663 1.00 -0.18 C ATOM 532 CE LYS A 34 -15.192 20.367 1.459 1.00 -0.04 C ATOM 533 NZ LYS A 34 -13.987 20.743 2.221 1.00 -0.14 N ATOM 0 H LYS A 34 -16.438 15.405 -2.178 1.00 -0.46 H new ATOM 0 HA LYS A 34 -15.203 17.890 -2.540 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -17.218 17.105 -1.131 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -16.041 16.620 0.073 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -16.272 19.453 -1.007 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -17.101 18.891 0.431 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -14.759 18.254 1.345 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -14.103 19.187 0.015 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -15.460 21.175 0.778 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -16.030 20.235 2.143 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -14.170 21.620 2.749 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -13.746 19.982 2.888 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -13.194 20.892 1.565 1.00 -0.14 H new ATOM 547 N GLU A 35 -13.505 15.790 -0.610 1.00 -0.46 N ATOM 548 CA GLU A 35 -12.171 15.425 -0.169 1.00 0.04 C ATOM 549 C GLU A 35 -11.334 15.072 -1.402 1.00 0.62 C ATOM 550 O GLU A 35 -11.476 13.988 -1.969 1.00 -0.50 O ATOM 551 CB GLU A 35 -12.267 14.269 0.837 1.00 -0.18 C ATOM 552 CG GLU A 35 -10.900 13.865 1.400 1.00 -0.40 C ATOM 553 CD GLU A 35 -11.052 12.789 2.470 1.00 0.71 C ATOM 554 OE1 GLU A 35 -11.450 11.663 2.102 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -10.802 13.113 3.652 1.00 -0.72 O ATOM 0 H GLU A 35 -14.224 15.123 -0.329 1.00 -0.46 H new ATOM 0 HA GLU A 35 -11.680 16.252 0.344 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -12.923 14.560 1.658 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -12.726 13.407 0.352 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -10.264 13.496 0.595 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -10.404 14.738 1.824 1.00 -0.40 H new ATOM 562 N ALA A 36 -10.474 16.011 -1.817 1.00 -0.46 N ATOM 563 CA ALA A 36 -9.555 15.846 -2.933 1.00 0.04 C ATOM 564 C ALA A 36 -8.597 14.685 -2.647 1.00 0.62 C ATOM 565 O ALA A 36 -8.289 14.428 -1.483 1.00 -0.50 O ATOM 566 CB ALA A 36 -8.786 17.154 -3.143 1.00 -0.10 C ATOM 0 H ALA A 36 -10.402 16.925 -1.371 1.00 -0.46 H new ATOM 0 HA ALA A 36 -10.108 15.612 -3.843 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -8.095 17.040 -3.978 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -9.489 17.958 -3.361 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -8.227 17.396 -2.239 1.00 -0.10 H new ATOM 572 N PRO A 37 -8.140 13.956 -3.678 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.411 12.716 -3.487 1.00 0.04 C ATOM 574 C PRO A 37 -6.024 12.928 -2.881 1.00 0.53 C ATOM 575 O PRO A 37 -5.450 14.012 -2.977 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.339 12.053 -4.865 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.449 13.239 -5.824 1.00 -0.12 C ATOM 578 CD PRO A 37 -8.406 14.176 -5.088 1.00 -0.01 C ATOM 0 HA PRO A 37 -7.924 12.080 -2.766 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -6.405 11.508 -5.002 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.149 11.339 -5.012 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.481 13.707 -6.002 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.842 12.940 -6.795 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -8.231 15.216 -5.365 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -9.444 13.952 -5.333 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.500 11.871 -2.249 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.213 11.868 -1.569 1.00 0.04 C ATOM 588 C LEU A 38 -3.617 10.460 -1.566 1.00 0.62 C ATOM 589 O LEU A 38 -4.355 9.478 -1.641 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.313 12.510 -0.169 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.194 11.854 0.918 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -6.657 11.646 0.507 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -4.614 10.555 1.487 1.00 -0.11 C ATOM 0 H LEU A 38 -5.979 10.972 -2.199 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.514 12.496 -2.121 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.301 12.577 0.230 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.671 13.531 -0.305 1.00 -0.06 H new ATOM 0 HG LEU A 38 -5.187 12.597 1.716 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -7.203 11.181 1.328 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -7.109 12.609 0.270 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -6.700 11.000 -0.370 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -5.289 10.156 2.244 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -4.497 9.827 0.685 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -3.643 10.757 1.938 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.279 10.380 -1.528 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.516 9.146 -1.681 1.00 0.04 C ATOM 607 C ALA A 39 -1.026 8.626 -0.330 1.00 0.62 C ATOM 608 O ALA A 39 -0.658 9.413 0.543 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.335 9.388 -2.624 1.00 -0.10 C ATOM 0 H ALA A 39 -1.687 11.198 -1.386 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.169 8.385 -2.108 1.00 0.04 H new ATOM 0 HB1 ALA A 39 0.235 8.466 -2.738 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -0.706 9.708 -3.598 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 0.309 10.163 -2.209 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.022 7.297 -0.171 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.690 6.602 1.066 1.00 0.04 C ATOM 617 C ILE A 40 0.046 5.291 0.774 1.00 0.62 C ATOM 618 O ILE A 40 0.130 4.863 -0.377 1.00 -0.50 O ATOM 619 CB ILE A 40 -1.970 6.339 1.884 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.015 5.579 1.047 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.539 7.656 2.427 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.146 5.023 1.914 1.00 -0.09 C ATOM 0 H ILE A 40 -1.259 6.659 -0.931 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.024 7.235 1.652 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.711 5.707 2.734 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.431 6.247 0.292 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.529 4.761 0.516 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.442 7.452 3.002 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -1.800 8.134 3.070 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -2.780 8.319 1.596 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.861 4.494 1.284 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.734 4.335 2.652 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.650 5.844 2.425 1.00 -0.09 H new ATOM 634 N GLU A 41 0.568 4.665 1.838 1.00 -0.46 N ATOM 635 CA GLU A 41 1.355 3.438 1.789 1.00 0.04 C ATOM 636 C GLU A 41 0.523 2.260 2.296 1.00 0.62 C ATOM 637 O GLU A 41 0.062 2.292 3.436 1.00 -0.50 O ATOM 638 CB GLU A 41 2.610 3.598 2.657 1.00 -0.18 C ATOM 639 CG GLU A 41 3.327 4.917 2.374 1.00 -0.40 C ATOM 640 CD GLU A 41 4.736 4.975 2.960 1.00 0.71 C ATOM 641 OE1 GLU A 41 4.942 4.370 4.033 1.00 -0.72 O ATOM 642 OE2 GLU A 41 5.582 5.638 2.321 1.00 -0.72 O ATOM 0 H GLU A 41 0.446 5.017 2.788 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.650 3.244 0.758 1.00 0.04 H new ATOM 0 HB2 GLU A 41 2.332 3.553 3.710 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 3.290 2.767 2.471 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 3.383 5.069 1.296 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 2.737 5.738 2.781 1.00 -0.40 H new ATOM 649 N LEU A 42 0.352 1.220 1.469 1.00 -0.46 N ATOM 650 CA LEU A 42 -0.329 -0.019 1.833 1.00 0.04 C ATOM 651 C LEU A 42 0.697 -1.154 1.858 1.00 0.62 C ATOM 652 O LEU A 42 1.294 -1.475 0.833 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.463 -0.311 0.839 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.838 0.177 1.321 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -2.861 1.669 1.668 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.896 -0.116 0.251 1.00 -0.11 C ATOM 0 H LEU A 42 0.693 1.222 0.508 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.777 0.074 2.822 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.231 0.163 -0.115 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.510 -1.385 0.658 1.00 -0.06 H new ATOM 0 HG LEU A 42 -3.060 -0.367 2.239 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -3.860 1.950 2.001 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.144 1.869 2.464 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -2.596 2.252 0.786 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -4.869 0.232 0.597 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.633 0.401 -0.672 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.939 -1.189 0.066 1.00 -0.11 H new ATOM 668 N ASP A 43 0.898 -1.755 3.039 1.00 -0.46 N ATOM 669 CA ASP A 43 1.859 -2.827 3.257 1.00 0.04 C ATOM 670 C ASP A 43 1.388 -4.116 2.586 1.00 0.62 C ATOM 671 O ASP A 43 0.312 -4.616 2.910 1.00 -0.50 O ATOM 672 CB ASP A 43 2.078 -3.017 4.760 1.00 -0.40 C ATOM 673 CG ASP A 43 3.208 -4.005 5.019 1.00 0.71 C ATOM 674 OD1 ASP A 43 4.357 -3.642 4.682 1.00 -0.72 O ATOM 675 OD2 ASP A 43 2.902 -5.098 5.543 1.00 -0.72 O ATOM 0 H ASP A 43 0.383 -1.499 3.882 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.813 -2.559 2.803 1.00 0.04 H new ATOM 0 HB2 ASP A 43 2.313 -2.058 5.222 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 1.160 -3.377 5.224 1.00 -0.40 H new ATOM 680 N HIS A 44 2.192 -4.632 1.644 1.00 -0.46 N ATOM 681 CA HIS A 44 1.845 -5.733 0.753 1.00 0.04 C ATOM 682 C HIS A 44 1.967 -7.090 1.462 1.00 0.62 C ATOM 683 O HIS A 44 2.740 -7.949 1.043 1.00 -0.50 O ATOM 684 CB HIS A 44 2.726 -5.635 -0.507 1.00 -0.10 C ATOM 685 CG HIS A 44 2.286 -6.500 -1.667 1.00 -0.03 C ATOM 686 ND1 HIS A 44 2.078 -7.861 -1.637 1.00 -0.15 N ATOM 687 CD2 HIS A 44 2.084 -6.084 -2.957 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.746 -8.252 -2.879 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.737 -7.204 -3.719 1.00 -0.50 N ATOM 0 H HIS A 44 3.134 -4.276 1.482 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.800 -5.657 0.454 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.747 -4.596 -0.836 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.747 -5.906 -0.239 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 2.161 -8.464 -0.819 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 2.176 -5.071 -3.321 1.00 0.20 H new ATOM 0 HE1 HIS A 44 1.518 -9.269 -3.163 1.00 0.24 H new ATOM 0 HE2 HIS A 44 1.520 -7.222 -4.715 1.00 -0.50 H new ATOM 697 N ASP A 45 1.169 -7.293 2.516 1.00 -0.46 N ATOM 698 CA ASP A 45 1.042 -8.554 3.236 1.00 0.04 C ATOM 699 C ASP A 45 -0.354 -8.604 3.852 1.00 0.62 C ATOM 700 O ASP A 45 -1.259 -9.226 3.295 1.00 -0.50 O ATOM 701 CB ASP A 45 2.137 -8.687 4.311 1.00 -0.40 C ATOM 702 CG ASP A 45 3.498 -9.049 3.724 1.00 0.71 C ATOM 703 OD1 ASP A 45 3.652 -10.227 3.338 1.00 -0.72 O ATOM 704 OD2 ASP A 45 4.361 -8.145 3.679 1.00 -0.72 O ATOM 0 H ASP A 45 0.577 -6.557 2.900 1.00 -0.46 H new ATOM 0 HA ASP A 45 1.173 -9.393 2.553 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.220 -7.747 4.857 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 1.842 -9.450 5.032 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.528 -7.925 4.992 1.00 -0.46 N ATOM 710 CA LYS A 46 -1.779 -7.887 5.737 1.00 0.04 C ATOM 711 C LYS A 46 -2.915 -7.355 4.866 1.00 0.62 C ATOM 712 O LYS A 46 -4.032 -7.865 4.927 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.629 -7.016 6.992 1.00 -0.10 C ATOM 714 CG LYS A 46 -0.581 -7.577 7.964 1.00 -0.16 C ATOM 715 CD LYS A 46 -0.444 -6.717 9.232 1.00 -0.18 C ATOM 716 CE LYS A 46 -1.717 -6.631 10.087 1.00 -0.04 C ATOM 717 NZ LYS A 46 -2.213 -7.961 10.485 1.00 -0.14 N ATOM 0 H LYS A 46 0.215 -7.378 5.426 1.00 -0.46 H new ATOM 0 HA LYS A 46 -2.023 -8.905 6.039 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -1.346 -6.005 6.699 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -2.591 -6.944 7.499 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -0.856 -8.594 8.245 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 0.384 -7.635 7.461 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 0.362 -7.121 9.844 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 -0.149 -5.709 8.941 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -1.514 -6.039 10.979 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -2.493 -6.108 9.528 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -3.022 -7.851 11.129 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -2.512 -8.487 9.639 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 -1.455 -8.484 10.968 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.629 -6.328 4.056 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.622 -5.704 3.200 1.00 0.04 C ATOM 733 C VAL A 47 -4.219 -6.700 2.206 1.00 0.62 C ATOM 734 O VAL A 47 -5.402 -6.597 1.901 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.036 -4.461 2.514 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -2.183 -4.817 1.291 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -4.161 -3.512 2.088 1.00 -0.09 C ATOM 0 H VAL A 47 -1.700 -5.913 3.982 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.451 -5.370 3.823 1.00 0.04 H new ATOM 0 HB VAL A 47 -2.389 -3.972 3.242 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -1.792 -3.904 0.842 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -1.354 -5.454 1.599 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.796 -5.346 0.562 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -3.733 -2.635 1.603 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -4.825 -4.024 1.391 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -4.727 -3.201 2.966 1.00 -0.09 H new ATOM 747 N MET A 48 -3.427 -7.662 1.711 1.00 -0.46 N ATOM 748 CA MET A 48 -3.911 -8.651 0.759 1.00 0.04 C ATOM 749 C MET A 48 -4.897 -9.598 1.453 1.00 0.62 C ATOM 750 O MET A 48 -5.993 -9.837 0.949 1.00 -0.50 O ATOM 751 CB MET A 48 -2.744 -9.398 0.093 1.00 -0.15 C ATOM 752 CG MET A 48 -3.043 -9.648 -1.393 1.00 -0.05 C ATOM 753 SD MET A 48 -4.545 -10.590 -1.771 1.00 0.74 S ATOM 754 CE MET A 48 -4.717 -10.237 -3.538 1.00 -0.13 C ATOM 0 H MET A 48 -2.444 -7.769 1.961 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.446 -8.145 -0.045 1.00 0.04 H new ATOM 0 HB2 MET A 48 -1.828 -8.816 0.193 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -2.575 -10.348 0.601 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -3.111 -8.682 -1.894 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -2.193 -10.173 -1.828 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -5.487 -10.880 -3.964 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -5.000 -9.193 -3.675 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -3.768 -10.425 -4.041 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.514 -10.104 2.631 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.359 -10.964 3.452 1.00 0.04 C ATOM 766 C ASN A 49 -6.708 -10.293 3.729 1.00 0.62 C ATOM 767 O ASN A 49 -7.750 -10.934 3.600 1.00 -0.50 O ATOM 768 CB ASN A 49 -4.652 -11.319 4.769 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.404 -12.181 4.566 1.00 0.68 C ATOM 770 OD1 ASN A 49 -2.574 -11.899 3.706 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -3.261 -13.239 5.366 1.00 -0.87 N ATOM 0 H ASN A 49 -3.598 -9.923 3.041 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.543 -11.887 2.902 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.372 -10.400 5.283 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.350 -11.848 5.418 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -2.443 -13.842 5.273 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -3.969 -13.445 6.070 1.00 -0.87 H new ATOM 778 N MET A 50 -6.689 -9.004 4.091 1.00 -0.46 N ATOM 779 CA MET A 50 -7.894 -8.230 4.353 1.00 0.04 C ATOM 780 C MET A 50 -8.711 -7.994 3.079 1.00 0.62 C ATOM 781 O MET A 50 -9.927 -8.172 3.096 1.00 -0.50 O ATOM 782 CB MET A 50 -7.525 -6.902 5.031 1.00 -0.15 C ATOM 783 CG MET A 50 -7.090 -7.134 6.485 1.00 -0.05 C ATOM 784 SD MET A 50 -6.812 -5.644 7.482 1.00 0.74 S ATOM 785 CE MET A 50 -5.413 -4.896 6.613 1.00 -0.13 C ATOM 0 H MET A 50 -5.827 -8.471 4.209 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.527 -8.806 5.028 1.00 0.04 H new ATOM 0 HB2 MET A 50 -6.720 -6.418 4.479 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.380 -6.226 5.006 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -7.850 -7.740 6.978 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.170 -7.719 6.479 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -5.038 -4.050 7.188 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -4.620 -5.635 6.496 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -5.737 -4.552 5.631 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.065 -7.565 1.986 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.770 -7.079 0.807 1.00 0.04 C ATOM 797 C GLN A 51 -9.484 -8.185 0.029 1.00 0.62 C ATOM 798 O GLN A 51 -10.597 -7.954 -0.437 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.892 -6.156 -0.050 1.00 -0.10 C ATOM 800 CG GLN A 51 -6.781 -6.876 -0.819 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.112 -7.044 -2.296 1.00 0.68 C ATOM 802 OE1 GLN A 51 -7.426 -8.142 -2.748 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -7.021 -5.948 -3.050 1.00 -0.87 N ATOM 0 H GLN A 51 -7.049 -7.548 1.901 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.585 -6.449 1.164 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -8.527 -5.628 -0.762 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.441 -5.402 0.595 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -5.852 -6.315 -0.719 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.611 -7.856 -0.374 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -6.756 -5.058 -2.627 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -7.216 -5.999 -4.050 1.00 -0.87 H new ATOM 812 N ALA A 52 -8.874 -9.375 -0.068 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.482 -10.611 -0.561 1.00 0.04 C ATOM 814 C ALA A 52 -10.476 -10.397 -1.718 1.00 0.62 C ATOM 815 O ALA A 52 -10.051 -10.164 -2.850 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.084 -11.375 0.625 1.00 -0.10 C ATOM 0 H ALA A 52 -7.901 -9.504 0.208 1.00 -0.46 H new ATOM 0 HA ALA A 52 -8.700 -11.221 -1.012 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -10.540 -12.299 0.269 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.298 -11.611 1.342 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -10.842 -10.758 1.108 1.00 -0.10 H new ATOM 822 N LYS A 53 -11.788 -10.478 -1.443 1.00 -0.46 N ATOM 823 CA LYS A 53 -12.851 -10.262 -2.417 1.00 0.04 C ATOM 824 C LYS A 53 -14.186 -10.093 -1.679 1.00 0.62 C ATOM 825 O LYS A 53 -14.351 -10.636 -0.587 1.00 -0.50 O ATOM 826 CB LYS A 53 -12.929 -11.464 -3.379 1.00 -0.10 C ATOM 827 CG LYS A 53 -13.582 -11.124 -4.729 1.00 -0.16 C ATOM 828 CD LYS A 53 -12.642 -10.395 -5.705 1.00 -0.18 C ATOM 829 CE LYS A 53 -11.491 -11.263 -6.237 1.00 -0.04 C ATOM 830 NZ LYS A 53 -11.974 -12.491 -6.896 1.00 -0.14 N ATOM 0 H LYS A 53 -12.139 -10.701 -0.512 1.00 -0.46 H new ATOM 0 HA LYS A 53 -12.640 -9.362 -2.995 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -11.923 -11.844 -3.556 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -13.493 -12.265 -2.902 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -13.932 -12.045 -5.195 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -14.460 -10.503 -4.552 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -13.226 -10.029 -6.549 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -12.223 -9.522 -5.205 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -10.898 -10.683 -6.944 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -10.830 -11.532 -5.413 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -11.165 -13.018 -7.283 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -12.474 -13.083 -6.203 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -12.624 -12.238 -7.668 1.00 -0.14 H new ATOM 844 N ALA A 54 -15.139 -9.379 -2.299 1.00 -0.46 N ATOM 845 CA ALA A 54 -16.556 -9.304 -1.938 1.00 0.04 C ATOM 846 C ALA A 54 -16.819 -8.508 -0.657 1.00 0.62 C ATOM 847 O ALA A 54 -17.430 -7.441 -0.708 1.00 -0.50 O ATOM 848 CB ALA A 54 -17.192 -10.701 -1.896 1.00 -0.10 C ATOM 0 H ALA A 54 -14.923 -8.805 -3.114 1.00 -0.46 H new ATOM 0 HA ALA A 54 -17.046 -8.738 -2.730 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -18.244 -10.614 -1.625 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -17.107 -11.169 -2.877 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.677 -11.313 -1.156 1.00 -0.10 H new ATOM 854 N GLU A 55 -16.367 -9.031 0.486 1.00 -0.46 N ATOM 855 CA GLU A 55 -16.491 -8.406 1.796 1.00 0.04 C ATOM 856 C GLU A 55 -15.917 -6.990 1.765 1.00 0.62 C ATOM 857 O GLU A 55 -16.540 -6.051 2.259 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.748 -9.255 2.835 1.00 -0.18 C ATOM 859 CG GLU A 55 -16.371 -10.649 2.999 1.00 -0.40 C ATOM 860 CD GLU A 55 -15.562 -11.545 3.938 1.00 0.71 C ATOM 861 OE1 GLU A 55 -14.683 -11.008 4.647 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -15.835 -12.765 3.922 1.00 -0.72 O ATOM 0 H GLU A 55 -15.889 -9.932 0.521 1.00 -0.46 H new ATOM 0 HA GLU A 55 -17.545 -8.344 2.066 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -14.704 -9.358 2.538 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -15.757 -8.740 3.796 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -17.386 -10.547 3.384 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.447 -11.127 2.022 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.738 -6.841 1.147 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.996 -5.590 1.062 1.00 0.04 C ATOM 871 C PHE A 56 -14.542 -4.688 -0.055 1.00 0.62 C ATOM 872 O PHE A 56 -13.786 -4.144 -0.859 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.520 -5.932 0.853 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.542 -4.848 1.260 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -11.087 -4.813 2.592 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -10.870 -4.099 0.274 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.935 -4.083 2.925 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -9.741 -3.336 0.616 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.260 -3.344 1.936 1.00 -0.15 C ATOM 0 H PHE A 56 -14.265 -7.615 0.680 1.00 -0.46 H new ATOM 0 HA PHE A 56 -14.111 -5.022 1.985 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -12.290 -6.837 1.416 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.363 -6.164 -0.200 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -11.626 -5.349 3.359 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.223 -4.111 -0.746 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -9.567 -4.089 3.940 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.242 -2.743 -0.136 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.373 -2.783 2.191 1.00 -0.15 H new ATOM 889 N TYR A 57 -15.866 -4.527 -0.094 1.00 -0.46 N ATOM 890 CA TYR A 57 -16.597 -3.657 -1.002 1.00 0.04 C ATOM 891 C TYR A 57 -17.906 -3.280 -0.313 1.00 0.62 C ATOM 892 O TYR A 57 -18.251 -2.103 -0.225 1.00 -0.50 O ATOM 893 CB TYR A 57 -16.890 -4.355 -2.338 1.00 -0.10 C ATOM 894 CG TYR A 57 -15.683 -4.670 -3.201 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -15.239 -3.737 -4.157 1.00 0.00 C ATOM 896 CD2 TYR A 57 -15.067 -5.933 -3.121 1.00 0.00 C ATOM 897 CE1 TYR A 57 -14.227 -4.090 -5.067 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -14.048 -6.282 -4.023 1.00 -0.26 C ATOM 899 CZ TYR A 57 -13.646 -5.370 -5.013 1.00 0.46 C ATOM 900 OH TYR A 57 -12.727 -5.746 -5.950 1.00 -0.53 O ATOM 0 H TYR A 57 -16.485 -5.029 0.543 1.00 -0.46 H new ATOM 0 HA TYR A 57 -15.999 -2.774 -1.227 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -17.417 -5.286 -2.131 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -17.569 -3.726 -2.913 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -15.676 -2.750 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -15.379 -6.637 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -13.895 -3.378 -5.808 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -13.574 -7.250 -3.955 1.00 -0.26 H new ATOM 0 HH TYR A 57 -12.426 -6.660 -5.765 1.00 -0.53 H new ATOM 910 N SER A 58 -18.634 -4.286 0.182 1.00 -0.46 N ATOM 911 CA SER A 58 -19.882 -4.102 0.901 1.00 0.04 C ATOM 912 C SER A 58 -19.637 -3.570 2.316 1.00 0.62 C ATOM 913 O SER A 58 -20.306 -2.622 2.726 1.00 -0.50 O ATOM 914 CB SER A 58 -20.665 -5.420 0.899 1.00 0.02 C ATOM 915 OG SER A 58 -19.857 -6.490 1.341 1.00 -0.55 O ATOM 0 H SER A 58 -18.361 -5.264 0.088 1.00 -0.46 H new ATOM 0 HA SER A 58 -20.483 -3.346 0.396 1.00 0.04 H new ATOM 0 HB2 SER A 58 -21.539 -5.329 1.544 1.00 0.02 H new ATOM 0 HB3 SER A 58 -21.032 -5.628 -0.106 1.00 0.02 H new ATOM 0 HG SER A 58 -20.379 -7.319 1.332 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.694 -4.163 3.063 1.00 -0.46 N ATOM 922 CA GLU A 59 -18.528 -3.917 4.495 1.00 0.04 C ATOM 923 C GLU A 59 -17.666 -2.680 4.799 1.00 0.62 C ATOM 924 O GLU A 59 -16.810 -2.743 5.680 1.00 -0.50 O ATOM 925 CB GLU A 59 -17.945 -5.167 5.174 1.00 -0.18 C ATOM 926 CG GLU A 59 -18.753 -6.440 4.890 1.00 -0.40 C ATOM 927 CD GLU A 59 -18.285 -7.609 5.753 1.00 0.71 C ATOM 928 OE1 GLU A 59 -17.057 -7.711 5.964 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -19.168 -8.382 6.185 1.00 -0.72 O ATOM 0 H GLU A 59 -18.023 -4.831 2.684 1.00 -0.46 H new ATOM 0 HA GLU A 59 -19.517 -3.705 4.902 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -16.919 -5.312 4.835 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -17.905 -5.002 6.251 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -19.810 -6.250 5.077 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -18.658 -6.704 3.837 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.927 -1.566 4.096 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.373 -0.222 4.295 1.00 0.04 C ATOM 938 C VAL A 60 -16.023 -0.182 5.031 1.00 0.62 C ATOM 939 O VAL A 60 -15.917 0.354 6.133 1.00 -0.50 O ATOM 940 CB VAL A 60 -18.432 0.700 4.932 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -19.561 0.990 3.933 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -19.041 0.123 6.220 1.00 -0.09 C ATOM 0 H VAL A 60 -18.582 -1.586 3.314 1.00 -0.46 H new ATOM 0 HA VAL A 60 -17.128 0.161 3.304 1.00 0.04 H new ATOM 0 HB VAL A 60 -17.910 1.620 5.197 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -20.300 1.642 4.398 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -19.149 1.480 3.051 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -20.036 0.054 3.640 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -19.778 0.820 6.618 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -19.524 -0.829 5.999 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -18.253 -0.032 6.957 1.00 -0.09 H new ATOM 952 N LEU A 61 -14.992 -0.759 4.401 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.656 -0.905 4.961 1.00 0.04 C ATOM 954 C LEU A 61 -13.021 0.431 5.384 1.00 0.62 C ATOM 955 O LEU A 61 -13.317 1.475 4.805 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.760 -1.775 4.056 1.00 -0.06 C ATOM 957 CG LEU A 61 -12.673 -1.480 2.543 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -13.913 -1.869 1.730 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -12.300 -0.040 2.223 1.00 -0.11 C ATOM 0 H LEU A 61 -15.074 -1.146 3.461 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.758 -1.450 5.899 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.747 -1.722 4.455 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -13.093 -2.807 4.166 1.00 -0.06 H new ATOM 0 HG LEU A 61 -11.861 -2.137 2.230 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -13.752 -1.622 0.681 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -14.091 -2.940 1.827 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -14.779 -1.322 2.103 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -12.258 0.093 1.142 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -13.049 0.632 2.642 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -11.326 0.188 2.655 1.00 -0.11 H new ATOM 971 N THR A 62 -12.181 0.402 6.431 1.00 -0.46 N ATOM 972 CA THR A 62 -11.648 1.598 7.083 1.00 0.04 C ATOM 973 C THR A 62 -10.120 1.617 7.048 1.00 0.62 C ATOM 974 O THR A 62 -9.477 0.615 7.358 1.00 -0.50 O ATOM 975 CB THR A 62 -12.178 1.683 8.522 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.591 1.669 8.502 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.718 2.966 9.227 1.00 -0.19 C ATOM 0 H THR A 62 -11.851 -0.467 6.850 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.988 2.476 6.534 1.00 0.04 H new ATOM 0 HB THR A 62 -11.783 0.826 9.068 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.922 1.053 9.189 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -12.115 2.986 10.242 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.629 2.991 9.263 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -12.083 3.834 8.678 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.556 2.778 6.684 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.125 3.014 6.573 1.00 0.04 C ATOM 987 C ILE A 63 -7.713 4.020 7.645 1.00 0.62 C ATOM 988 O ILE A 63 -8.279 5.110 7.716 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.775 3.563 5.175 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.370 2.698 4.052 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.248 3.662 5.011 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.194 3.346 2.682 1.00 -0.09 C ATOM 0 H ILE A 63 -10.111 3.602 6.453 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.589 2.075 6.714 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.215 4.557 5.094 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -7.891 1.719 4.055 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.431 2.534 4.243 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -6.013 4.051 4.020 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.843 4.332 5.769 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.805 2.673 5.127 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.628 2.703 1.917 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.696 4.314 2.670 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.132 3.486 2.479 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.695 3.671 8.438 1.00 -0.46 N ATOM 1005 CA VAL A 64 -6.024 4.604 9.329 1.00 0.04 C ATOM 1006 C VAL A 64 -4.940 5.299 8.507 1.00 0.62 C ATOM 1007 O VAL A 64 -3.947 4.660 8.172 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.423 3.848 10.528 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.691 4.818 11.467 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.513 3.115 11.319 1.00 -0.09 C ATOM 0 H VAL A 64 -6.316 2.725 8.475 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.718 5.341 9.733 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.716 3.118 10.133 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.273 4.265 12.308 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.887 5.313 10.923 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.393 5.565 11.837 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -6.061 2.589 12.160 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.240 3.837 11.691 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -7.014 2.397 10.669 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.130 6.584 8.179 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.116 7.408 7.526 1.00 0.04 C ATOM 1022 C VAL A 65 -3.572 8.397 8.558 1.00 0.62 C ATOM 1023 O VAL A 65 -4.105 9.490 8.725 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.643 8.053 6.225 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -5.119 6.959 5.264 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.796 9.054 6.375 1.00 -0.09 C ATOM 0 H VAL A 65 -6.001 7.081 8.363 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.283 6.795 7.183 1.00 0.04 H new ATOM 0 HB VAL A 65 -3.789 8.620 5.855 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -5.490 7.417 4.347 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -4.287 6.295 5.027 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -5.919 6.386 5.733 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -6.076 9.436 5.393 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -6.653 8.556 6.829 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -5.479 9.881 7.010 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.526 7.979 9.286 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.938 8.739 10.382 1.00 0.04 C ATOM 1038 C ASP A 66 -3.023 9.163 11.378 1.00 0.62 C ATOM 1039 O ASP A 66 -3.367 10.341 11.482 1.00 -0.50 O ATOM 1040 CB ASP A 66 -1.124 9.922 9.830 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.408 10.714 10.924 1.00 0.71 C ATOM 1042 OD1 ASP A 66 -0.065 10.098 11.956 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 -0.213 11.930 10.703 1.00 -0.72 O ATOM 0 H ASP A 66 -2.062 7.086 9.121 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.240 8.110 10.935 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.388 9.549 9.118 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -1.789 10.589 9.281 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.599 8.182 12.084 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.636 8.411 13.079 1.00 0.04 C ATOM 1050 C GLY A 67 -6.033 8.473 12.460 1.00 0.62 C ATOM 1051 O GLY A 67 -6.952 7.832 12.967 1.00 -0.50 O ATOM 0 H GLY A 67 -3.350 7.199 11.974 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.606 7.614 13.822 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.432 9.344 13.604 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.206 9.258 11.388 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.506 9.523 10.786 1.00 0.04 C ATOM 1057 C LYS A 68 -8.130 8.240 10.227 1.00 0.62 C ATOM 1058 O LYS A 68 -7.653 7.709 9.225 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.381 10.572 9.673 1.00 -0.10 C ATOM 1060 CG LYS A 68 -6.944 11.945 10.198 1.00 -0.16 C ATOM 1061 CD LYS A 68 -6.718 12.951 9.061 1.00 -0.18 C ATOM 1062 CE LYS A 68 -8.000 13.258 8.274 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -7.779 14.313 7.269 1.00 -0.14 N ATOM 0 H LYS A 68 -5.435 9.729 10.914 1.00 -0.46 H new ATOM 0 HA LYS A 68 -8.160 9.910 11.567 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.661 10.225 8.932 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -8.340 10.671 9.164 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -7.703 12.331 10.878 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -6.025 11.837 10.774 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -6.321 13.878 9.476 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -5.964 12.558 8.379 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -8.350 12.352 7.780 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -8.785 13.570 8.963 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -8.665 14.495 6.756 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -7.468 15.185 7.743 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -7.047 14.005 6.597 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.212 7.771 10.861 1.00 -0.46 N ATOM 1078 CA GLU A 69 -9.995 6.628 10.412 1.00 0.04 C ATOM 1079 C GLU A 69 -10.883 7.043 9.236 1.00 0.62 C ATOM 1080 O GLU A 69 -12.079 7.279 9.406 1.00 -0.50 O ATOM 1081 CB GLU A 69 -10.839 6.086 11.573 1.00 -0.18 C ATOM 1082 CG GLU A 69 -9.969 5.483 12.680 1.00 -0.40 C ATOM 1083 CD GLU A 69 -10.834 4.874 13.777 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -11.371 3.772 13.528 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -10.954 5.524 14.838 1.00 -0.72 O ATOM 0 H GLU A 69 -9.570 8.190 11.719 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.326 5.835 10.077 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.446 6.891 11.987 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.527 5.328 11.199 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.316 4.719 12.259 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.326 6.254 13.104 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.295 7.124 8.039 1.00 -0.46 N ATOM 1093 CA ILE A 70 -11.024 7.410 6.814 1.00 0.04 C ATOM 1094 C ILE A 70 -11.761 6.139 6.384 1.00 0.62 C ATOM 1095 O ILE A 70 -11.137 5.174 5.942 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.068 7.973 5.744 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.618 9.381 6.180 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.755 7.976 4.372 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -8.910 10.178 5.079 1.00 -0.09 C ATOM 0 H ILE A 70 -9.293 6.991 7.899 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.774 8.185 6.969 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.182 7.345 5.649 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -10.490 9.942 6.517 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.949 9.289 7.035 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.071 8.376 3.623 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.033 6.957 4.102 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.650 8.597 4.414 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -8.625 11.157 5.464 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -8.018 9.641 4.757 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -9.583 10.304 4.231 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.093 6.149 6.532 1.00 -0.46 N ATOM 1112 CA LYS A 71 -13.962 5.039 6.175 1.00 0.04 C ATOM 1113 C LYS A 71 -14.393 5.172 4.714 1.00 0.62 C ATOM 1114 O LYS A 71 -15.001 6.170 4.325 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.144 4.963 7.147 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.966 3.689 6.908 1.00 -0.16 C ATOM 1117 CD LYS A 71 -16.797 3.298 8.136 1.00 -0.18 C ATOM 1118 CE LYS A 71 -17.823 4.372 8.516 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -18.615 3.958 9.687 1.00 -0.14 N ATOM 0 H LYS A 71 -13.599 6.949 6.912 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.425 4.095 6.264 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -14.778 4.978 8.174 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -15.780 5.840 7.023 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -16.629 3.841 6.056 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -15.296 2.869 6.649 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -17.315 2.360 7.937 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -16.131 3.121 8.980 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -17.310 5.309 8.733 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -18.487 4.560 7.672 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -19.301 4.703 9.923 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -19.122 3.076 9.469 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -17.982 3.802 10.497 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.037 4.163 3.913 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.166 4.137 2.464 1.00 0.04 C ATOM 1135 C VAL A 72 -14.869 2.841 2.033 1.00 0.62 C ATOM 1136 O VAL A 72 -15.379 2.110 2.880 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.775 4.326 1.827 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -12.336 5.794 1.846 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.689 3.511 2.530 1.00 -0.09 C ATOM 0 H VAL A 72 -13.632 3.303 4.282 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.789 4.959 2.111 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.884 3.976 0.801 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -11.351 5.885 1.388 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -13.053 6.395 1.287 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -12.291 6.147 2.876 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.731 3.682 2.040 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.622 3.817 3.574 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -11.939 2.451 2.478 1.00 -0.09 H new ATOM 1149 N LYS A 73 -14.950 2.581 0.719 1.00 -0.46 N ATOM 1150 CA LYS A 73 -15.764 1.501 0.170 1.00 0.04 C ATOM 1151 C LYS A 73 -15.141 0.822 -1.065 1.00 0.62 C ATOM 1152 O LYS A 73 -15.769 -0.073 -1.626 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.174 2.056 -0.099 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.240 0.956 -0.125 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.654 1.542 -0.199 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.719 0.452 -0.011 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -20.591 -0.633 -1.000 1.00 -0.14 N ATOM 0 H LYS A 73 -14.449 3.118 0.011 1.00 -0.46 H new ATOM 0 HA LYS A 73 -15.820 0.696 0.902 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.427 2.785 0.670 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.178 2.584 -1.052 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -18.070 0.304 -0.982 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -18.148 0.338 0.768 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -19.774 2.307 0.568 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -19.797 2.032 -1.162 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.637 0.036 0.993 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -21.710 0.898 -0.091 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -21.446 -1.224 -0.980 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -20.475 -0.225 -1.950 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -19.761 -1.216 -0.770 1.00 -0.14 H new ATOM 1171 N ALA A 74 -13.918 1.202 -1.474 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.172 0.598 -2.585 1.00 0.04 C ATOM 1173 C ALA A 74 -13.846 0.853 -3.941 1.00 0.62 C ATOM 1174 O ALA A 74 -14.809 0.176 -4.293 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.908 -0.894 -2.335 1.00 -0.10 C ATOM 0 H ALA A 74 -13.408 1.962 -1.024 1.00 -0.46 H new ATOM 0 HA ALA A 74 -12.201 1.092 -2.631 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.354 -1.311 -3.176 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.325 -1.012 -1.422 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.857 -1.419 -2.230 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.336 1.834 -4.701 1.00 -0.46 N ATOM 1182 CA GLN A 75 -13.944 2.291 -5.945 1.00 0.04 C ATOM 1183 C GLN A 75 -13.440 1.457 -7.123 1.00 0.62 C ATOM 1184 O GLN A 75 -14.212 0.712 -7.723 1.00 -0.50 O ATOM 1185 CB GLN A 75 -13.659 3.791 -6.133 1.00 -0.10 C ATOM 1186 CG GLN A 75 -14.733 4.502 -6.968 1.00 -0.10 C ATOM 1187 CD GLN A 75 -14.757 4.039 -8.423 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -13.736 4.073 -9.103 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -15.925 3.614 -8.910 1.00 -0.87 N ATOM 0 H GLN A 75 -12.480 2.333 -4.460 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.025 2.156 -5.899 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -13.591 4.268 -5.155 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -12.690 3.914 -6.616 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.711 4.325 -6.520 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -14.558 5.577 -6.937 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -16.752 3.601 -8.313 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -15.991 3.303 -9.879 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.148 1.597 -7.444 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.469 0.883 -8.513 1.00 0.04 C ATOM 1200 C ASP A 76 -10.188 0.305 -7.924 1.00 0.62 C ATOM 1201 O ASP A 76 -9.409 1.027 -7.307 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.168 1.831 -9.679 1.00 -0.40 C ATOM 1203 CG ASP A 76 -10.336 1.134 -10.752 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -10.720 0.006 -11.133 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -9.310 1.720 -11.157 1.00 -0.72 O ATOM 0 H ASP A 76 -11.531 2.236 -6.943 1.00 -0.46 H new ATOM 0 HA ASP A 76 -12.094 0.082 -8.909 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -12.102 2.187 -10.113 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.633 2.707 -9.311 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.005 -1.010 -8.055 1.00 -0.46 N ATOM 1211 CA VAL A 77 -8.985 -1.740 -7.328 1.00 0.04 C ATOM 1212 C VAL A 77 -8.443 -2.869 -8.204 1.00 0.62 C ATOM 1213 O VAL A 77 -9.190 -3.757 -8.613 1.00 -0.50 O ATOM 1214 CB VAL A 77 -9.552 -2.233 -5.978 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -9.725 -1.062 -5.000 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -10.912 -2.939 -6.087 1.00 -0.09 C ATOM 0 H VAL A 77 -10.567 -1.594 -8.674 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.144 -1.089 -7.092 1.00 0.04 H new ATOM 0 HB VAL A 77 -8.819 -2.956 -5.620 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.125 -1.432 -4.056 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -8.759 -0.589 -4.824 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -10.414 -0.332 -5.425 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.239 -3.254 -5.096 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -11.645 -2.253 -6.510 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -10.818 -3.812 -6.732 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.136 -2.837 -8.496 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.476 -3.829 -9.334 1.00 0.04 C ATOM 1228 C GLN A 78 -6.055 -5.013 -8.461 1.00 0.62 C ATOM 1229 O GLN A 78 -4.873 -5.346 -8.365 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.292 -3.198 -10.084 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.715 -2.249 -11.215 1.00 -0.10 C ATOM 1232 CD GLN A 78 -6.517 -1.040 -10.735 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -6.008 -0.216 -9.979 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -7.773 -0.932 -11.174 1.00 -0.87 N ATOM 0 H GLN A 78 -6.507 -2.112 -8.151 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.162 -4.197 -10.096 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -4.673 -2.650 -9.373 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -4.672 -3.992 -10.500 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -4.824 -1.899 -11.736 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -6.310 -2.804 -11.940 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -8.157 -1.639 -11.801 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -8.349 -0.142 -10.882 1.00 -0.87 H new ATOM 1243 N ARG A 79 -7.048 -5.655 -7.833 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.868 -6.880 -7.073 1.00 0.04 C ATOM 1245 C ARG A 79 -6.659 -8.051 -8.031 1.00 0.62 C ATOM 1246 O ARG A 79 -7.388 -8.185 -9.014 1.00 -0.50 O ATOM 1247 CB ARG A 79 -8.045 -7.110 -6.109 1.00 -0.08 C ATOM 1248 CG ARG A 79 -9.317 -7.742 -6.692 1.00 -0.10 C ATOM 1249 CD ARG A 79 -10.018 -6.842 -7.714 1.00 -0.23 C ATOM 1250 NE ARG A 79 -11.239 -7.467 -8.230 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -11.274 -8.363 -9.231 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -10.141 -8.813 -9.795 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -12.456 -8.815 -9.669 1.00 -0.62 N ATOM 0 H ARG A 79 -8.013 -5.325 -7.844 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.976 -6.793 -6.452 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -7.695 -7.745 -5.295 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -8.315 -6.149 -5.671 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -9.061 -8.690 -7.166 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -10.009 -7.968 -5.880 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -10.265 -5.887 -7.251 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -9.339 -6.630 -8.540 1.00 -0.23 H new ATOM 0 HE ARG A 79 -12.125 -7.203 -7.799 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -9.237 -8.475 -9.464 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -10.184 -9.493 -10.554 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -13.320 -8.479 -9.243 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -12.492 -9.495 -10.428 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.664 -8.895 -7.738 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.362 -10.089 -8.507 1.00 0.04 C ATOM 1269 C HIS A 80 -5.550 -11.298 -7.586 1.00 0.62 C ATOM 1270 O HIS A 80 -4.694 -11.544 -6.738 1.00 -0.50 O ATOM 1271 CB HIS A 80 -3.936 -9.996 -9.063 1.00 -0.10 C ATOM 1272 CG HIS A 80 -3.604 -11.065 -10.078 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.115 -12.346 -10.129 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -2.713 -10.940 -11.110 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -3.542 -12.968 -11.172 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -2.679 -12.155 -11.801 1.00 -0.50 N ATOM 0 H HIS A 80 -5.039 -8.758 -6.944 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.029 -10.193 -9.363 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -3.799 -9.017 -9.523 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.229 -10.062 -8.236 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -4.802 -12.747 -9.491 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -2.137 -10.058 -11.348 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -3.748 -13.987 -11.466 1.00 0.24 H new ATOM 1284 N PRO A 81 -6.651 -12.059 -7.716 1.00 -0.23 N ATOM 1285 CA PRO A 81 -6.882 -13.240 -6.901 1.00 0.04 C ATOM 1286 C PRO A 81 -5.949 -14.368 -7.345 1.00 0.53 C ATOM 1287 O PRO A 81 -5.427 -14.342 -8.458 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.352 -13.601 -7.124 1.00 -0.12 C ATOM 1289 CG PRO A 81 -8.602 -13.131 -8.555 1.00 -0.12 C ATOM 1290 CD PRO A 81 -7.737 -11.874 -8.667 1.00 -0.01 C ATOM 0 HA PRO A 81 -6.678 -13.069 -5.844 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.527 -14.671 -7.013 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.005 -13.096 -6.412 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.310 -13.887 -9.284 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -9.655 -12.911 -8.728 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -7.354 -11.751 -9.680 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.314 -10.979 -8.434 1.00 -0.01 H new ATOM 1298 N TYR A 82 -5.752 -15.353 -6.457 1.00 -0.46 N ATOM 1299 CA TYR A 82 -4.930 -16.541 -6.661 1.00 0.04 C ATOM 1300 C TYR A 82 -3.439 -16.202 -6.582 1.00 0.62 C ATOM 1301 O TYR A 82 -2.745 -16.688 -5.692 1.00 -0.50 O ATOM 1302 CB TYR A 82 -5.303 -17.291 -7.953 1.00 -0.10 C ATOM 1303 CG TYR A 82 -6.796 -17.405 -8.209 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -7.631 -18.020 -7.257 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -7.365 -16.807 -9.351 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -9.026 -18.016 -7.432 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -8.760 -16.805 -9.527 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -9.590 -17.405 -8.566 1.00 0.46 C ATOM 1309 OH TYR A 82 -10.945 -17.376 -8.726 1.00 -0.53 O ATOM 0 H TYR A 82 -6.185 -15.336 -5.534 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.142 -17.232 -5.845 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -4.840 -16.783 -8.799 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -4.877 -18.293 -7.912 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -7.199 -18.496 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.728 -16.349 -10.093 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.664 -18.482 -6.696 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -9.193 -16.342 -10.401 1.00 -0.26 H new ATOM 0 HH TYR A 82 -11.166 -16.915 -9.562 1.00 -0.53 H new ATOM 1319 N LYS A 83 -2.958 -15.364 -7.508 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.588 -14.878 -7.564 1.00 0.04 C ATOM 1321 C LYS A 83 -1.607 -13.393 -7.183 1.00 0.62 C ATOM 1322 O LYS A 83 -2.049 -12.580 -7.991 1.00 -0.50 O ATOM 1323 CB LYS A 83 -1.023 -15.083 -8.978 1.00 -0.10 C ATOM 1324 CG LYS A 83 -1.091 -16.559 -9.400 1.00 -0.16 C ATOM 1325 CD LYS A 83 -0.398 -16.816 -10.745 1.00 -0.18 C ATOM 1326 CE LYS A 83 1.131 -16.808 -10.618 1.00 -0.04 C ATOM 1327 NZ LYS A 83 1.779 -17.162 -11.893 1.00 -0.14 N ATOM 0 H LYS A 83 -3.538 -14.997 -8.262 1.00 -0.46 H new ATOM 0 HA LYS A 83 -0.948 -15.425 -6.872 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -1.583 -14.474 -9.687 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 0.011 -14.741 -9.011 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -0.626 -17.176 -8.631 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -2.134 -16.867 -9.467 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -0.723 -17.778 -11.142 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 -0.706 -16.055 -11.462 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 1.466 -15.821 -10.300 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 1.437 -17.513 -9.845 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 2.812 -17.147 -11.773 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 1.477 -18.114 -12.183 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 1.506 -16.475 -12.624 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.174 -13.009 -5.970 1.00 -0.23 N ATOM 1342 CA PRO A 84 -1.290 -11.638 -5.494 1.00 0.04 C ATOM 1343 C PRO A 84 -0.342 -10.711 -6.256 1.00 0.53 C ATOM 1344 O PRO A 84 0.679 -11.158 -6.780 1.00 -0.50 O ATOM 1345 CB PRO A 84 -0.966 -11.699 -4.000 1.00 -0.12 C ATOM 1346 CG PRO A 84 -0.010 -12.885 -3.903 1.00 -0.12 C ATOM 1347 CD PRO A 84 -0.555 -13.850 -4.957 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.286 -11.228 -5.659 1.00 0.04 H new ATOM 0 HB2 PRO A 84 -0.502 -10.777 -3.650 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -1.862 -11.853 -3.399 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 1.019 -12.593 -4.116 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 -0.016 -13.329 -2.907 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.244 -14.456 -5.385 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -1.280 -14.538 -4.522 1.00 -0.01 H new ATOM 1355 N LYS A 85 -0.701 -9.422 -6.344 1.00 -0.46 N ATOM 1356 CA LYS A 85 0.039 -8.456 -7.146 1.00 0.04 C ATOM 1357 C LYS A 85 -0.140 -7.028 -6.623 1.00 0.62 C ATOM 1358 O LYS A 85 0.851 -6.319 -6.468 1.00 -0.50 O ATOM 1359 CB LYS A 85 -0.376 -8.578 -8.624 1.00 -0.10 C ATOM 1360 CG LYS A 85 0.799 -8.318 -9.576 1.00 -0.16 C ATOM 1361 CD LYS A 85 1.726 -9.543 -9.647 1.00 -0.18 C ATOM 1362 CE LYS A 85 2.878 -9.347 -10.639 1.00 -0.04 C ATOM 1363 NZ LYS A 85 3.824 -8.308 -10.191 1.00 -0.14 N ATOM 0 H LYS A 85 -1.509 -9.028 -5.862 1.00 -0.46 H new ATOM 0 HA LYS A 85 1.102 -8.683 -7.065 1.00 0.04 H new ATOM 0 HB2 LYS A 85 -0.776 -9.575 -8.807 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -1.177 -7.869 -8.835 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 0.421 -8.084 -10.571 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 1.363 -7.449 -9.236 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 2.133 -9.745 -8.656 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 1.145 -10.419 -9.937 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 3.410 -10.290 -10.768 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 2.474 -9.073 -11.614 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 4.596 -8.220 -10.882 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 3.327 -7.398 -10.109 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 4.217 -8.572 -9.265 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.392 -6.612 -6.372 1.00 -0.46 N ATOM 1378 CA LEU A 86 -1.750 -5.288 -5.865 1.00 0.04 C ATOM 1379 C LEU A 86 -1.052 -4.184 -6.663 1.00 0.62 C ATOM 1380 O LEU A 86 -0.166 -3.502 -6.150 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.435 -5.177 -4.364 1.00 -0.06 C ATOM 1382 CG LEU A 86 -2.225 -6.147 -3.470 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -1.632 -6.105 -2.058 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -3.709 -5.764 -3.396 1.00 -0.11 C ATOM 0 H LEU A 86 -2.204 -7.210 -6.523 1.00 -0.46 H new ATOM 0 HA LEU A 86 -2.824 -5.155 -5.993 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -0.370 -5.353 -4.216 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.638 -4.157 -4.038 1.00 -0.06 H new ATOM 0 HG LEU A 86 -2.152 -7.147 -3.898 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -2.183 -6.789 -1.412 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -0.585 -6.404 -2.094 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -1.706 -5.092 -1.662 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -4.236 -6.471 -2.756 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -3.805 -4.760 -2.983 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -4.141 -5.788 -4.396 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.442 -4.021 -7.932 1.00 -0.46 N ATOM 1397 CA GLN A 87 -0.810 -3.065 -8.830 1.00 0.04 C ATOM 1398 C GLN A 87 -1.093 -1.636 -8.362 1.00 0.62 C ATOM 1399 O GLN A 87 -0.162 -0.856 -8.165 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.274 -3.297 -10.273 1.00 -0.10 C ATOM 1401 CG GLN A 87 -0.909 -4.709 -10.749 1.00 -0.10 C ATOM 1402 CD GLN A 87 -1.241 -4.904 -12.224 1.00 0.68 C ATOM 1403 OE1 GLN A 87 -2.231 -5.548 -12.563 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 -0.406 -4.354 -13.109 1.00 -0.87 N ATOM 0 H GLN A 87 -2.203 -4.549 -8.359 1.00 -0.46 H new ATOM 0 HA GLN A 87 0.270 -3.213 -8.808 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.353 -3.155 -10.339 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -0.814 -2.558 -10.930 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 0.155 -4.885 -10.588 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -1.448 -5.446 -10.153 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 0.405 -3.827 -12.786 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 -0.579 -4.461 -14.108 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.375 -1.309 -8.157 1.00 -0.46 N ATOM 1414 CA HIS A 88 -2.802 -0.047 -7.576 1.00 0.04 C ATOM 1415 C HIS A 88 -4.202 -0.200 -6.979 1.00 0.62 C ATOM 1416 O HIS A 88 -4.923 -1.144 -7.305 1.00 -0.50 O ATOM 1417 CB HIS A 88 -2.746 1.080 -8.617 1.00 -0.10 C ATOM 1418 CG HIS A 88 -2.755 2.446 -7.982 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -3.846 3.270 -7.833 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -1.699 3.033 -7.336 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -3.445 4.336 -7.123 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -2.145 4.242 -6.798 1.00 -0.50 N ATOM 0 H HIS A 88 -3.150 -1.928 -8.396 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.118 0.227 -6.772 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -1.846 0.969 -9.222 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.597 0.990 -9.293 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -4.785 3.102 -8.195 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -0.699 2.632 -7.257 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -4.084 5.162 -6.849 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.561 0.718 -6.074 1.00 -0.46 N ATOM 1431 CA ILE A 89 -5.798 0.706 -5.311 1.00 0.04 C ATOM 1432 C ILE A 89 -6.296 2.154 -5.205 1.00 0.62 C ATOM 1433 O ILE A 89 -5.538 3.032 -4.793 1.00 -0.50 O ATOM 1434 CB ILE A 89 -5.516 0.077 -3.928 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.177 -1.427 -3.975 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -6.639 0.330 -2.918 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -6.298 -2.341 -4.476 1.00 -0.09 C ATOM 0 H ILE A 89 -3.969 1.518 -5.850 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.574 0.110 -5.791 1.00 0.04 H new ATOM 0 HB ILE A 89 -4.620 0.595 -3.586 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -4.306 -1.565 -4.616 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -4.890 -1.748 -2.974 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -6.384 -0.136 -1.966 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -6.765 1.403 -2.775 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -7.569 -0.097 -3.293 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -5.954 -3.375 -4.469 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -7.166 -2.243 -3.824 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.573 -2.057 -5.492 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.562 2.390 -5.579 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.214 3.696 -5.569 1.00 0.04 C ATOM 1451 C ASP A 90 -9.540 3.585 -4.810 1.00 0.62 C ATOM 1452 O ASP A 90 -10.512 3.025 -5.320 1.00 -0.50 O ATOM 1453 CB ASP A 90 -8.420 4.202 -7.003 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.094 4.368 -7.740 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -6.625 3.362 -8.317 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -6.560 5.497 -7.702 1.00 -0.72 O ATOM 0 H ASP A 90 -8.177 1.646 -5.908 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.582 4.424 -5.060 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.054 3.503 -7.548 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -8.945 5.157 -6.980 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.573 4.109 -3.578 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.740 4.055 -2.702 1.00 0.04 C ATOM 1463 C PHE A 91 -11.669 5.255 -2.926 1.00 0.62 C ATOM 1464 O PHE A 91 -11.250 6.263 -3.490 1.00 -0.50 O ATOM 1465 CB PHE A 91 -10.277 4.020 -1.243 1.00 -0.10 C ATOM 1466 CG PHE A 91 -9.441 2.819 -0.850 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -10.075 1.622 -0.470 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -8.045 2.942 -0.710 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -9.320 0.551 0.039 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -7.293 1.881 -0.174 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.931 0.684 0.200 1.00 -0.15 C ATOM 0 H PHE A 91 -8.776 4.588 -3.160 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.303 3.152 -2.937 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.701 4.923 -1.042 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -11.157 4.054 -0.600 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -11.146 1.526 -0.570 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.551 3.853 -1.015 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.808 -0.375 0.306 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -6.225 1.985 -0.049 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -7.354 -0.131 0.610 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.918 5.153 -2.445 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.886 6.249 -2.376 1.00 0.04 C ATOM 1483 C VAL A 92 -14.561 6.233 -1.005 1.00 0.62 C ATOM 1484 O VAL A 92 -14.797 5.157 -0.458 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.921 6.155 -3.512 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.790 4.889 -3.417 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -15.831 7.389 -3.546 1.00 -0.09 C ATOM 0 H VAL A 92 -13.290 4.275 -2.083 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.363 7.197 -2.506 1.00 0.04 H new ATOM 0 HB VAL A 92 -14.344 6.104 -4.435 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.502 4.874 -4.242 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -15.153 4.006 -3.471 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -16.331 4.889 -2.471 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -16.549 7.289 -4.360 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -16.365 7.474 -2.599 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -15.227 8.282 -3.703 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.872 7.417 -0.458 1.00 -0.46 N ATOM 1498 CA ARG A 93 -15.561 7.584 0.818 1.00 0.04 C ATOM 1499 C ARG A 93 -16.855 6.768 0.884 1.00 0.62 C ATOM 1500 O ARG A 93 -17.589 6.673 -0.099 1.00 -0.50 O ATOM 1501 CB ARG A 93 -15.866 9.070 1.056 1.00 -0.08 C ATOM 1502 CG ARG A 93 -14.663 9.841 1.615 1.00 -0.10 C ATOM 1503 CD ARG A 93 -14.446 9.549 3.105 1.00 -0.23 C ATOM 1504 NE ARG A 93 -13.453 10.462 3.682 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -13.257 10.652 4.997 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -13.940 9.933 5.901 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -12.369 11.563 5.411 1.00 -0.62 N ATOM 0 H ARG A 93 -14.643 8.304 -0.907 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.899 7.213 1.601 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -16.180 9.527 0.118 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -16.702 9.158 1.749 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -13.766 9.571 1.057 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -14.818 10.910 1.472 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -15.391 9.649 3.640 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -14.115 8.518 3.233 1.00 -0.23 H new ATOM 0 HE ARG A 93 -12.868 10.992 3.036 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -14.616 9.234 5.592 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -13.783 10.085 6.897 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -11.844 12.110 4.729 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -12.217 11.710 6.409 1.00 -0.62 H new ATOM 1521 N ALA A 94 -17.133 6.196 2.062 1.00 -0.46 N ATOM 1522 CA ALA A 94 -18.350 5.445 2.328 1.00 0.04 C ATOM 1523 C ALA A 94 -19.545 6.391 2.435 1.00 0.62 C ATOM 1524 O ALA A 94 -19.426 7.504 2.947 1.00 -0.50 O ATOM 1525 CB ALA A 94 -18.179 4.634 3.613 1.00 -0.10 C ATOM 0 H ALA A 94 -16.505 6.247 2.864 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.539 4.759 1.503 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -19.091 4.071 3.812 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.344 3.943 3.499 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.980 5.309 4.445 1.00 -0.10 H new