USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 574 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 15 TYR OH : rot 98:sc= 0.938 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -169:sc= 0.0209 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.137) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00897 USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00437) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-7.6e-05 X(o=-7.6e-05,f=-0.043) USER MOD Single : A 19 SER OG : rot -130:sc= -0.784 USER MOD Single : A 24 THR OG1 : rot -129:sc= -1.47 USER MOD Single : A 25 MET CE :methyl -109:sc= -2.44 (180deg=-9.33!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 73:sc= 1.83 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.013 K(o=0.013,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0.956 (180deg=0.815) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0585 (180deg=-0.375) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.093) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.528 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0226 (180deg=-0.269) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.246 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 2.346 -1.426 -1.724 1.00 0.00 C ATOM 4 O MET A 1 3.108 -2.172 -1.110 1.00 0.00 O ATOM 5 CB MET A 1 3.424 0.728 -1.048 1.00 0.00 C ATOM 6 CG MET A 1 3.268 2.150 -0.532 1.00 0.00 C ATOM 7 SD MET A 1 4.686 3.191 -0.927 1.00 0.00 S ATOM 8 CE MET A 1 3.885 4.536 -1.797 1.00 0.00 C ATOM 0 H1 MET A 1 1.009 0.967 0.210 1.00 0.00 H new ATOM 0 H2 MET A 1 0.503 -0.624 -0.100 1.00 0.00 H new ATOM 0 H3 MET A 1 1.929 -0.343 0.777 1.00 0.00 H new ATOM 0 HA MET A 1 1.508 0.521 -1.999 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.040 0.162 -0.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.958 0.751 -1.998 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.368 2.591 -0.960 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.129 2.127 0.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.633 5.265 -2.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.372 4.146 -2.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.162 5.016 -1.138 1.00 0.00 H new ATOM 18 N ASP A 2 1.702 -1.796 -2.825 1.00 0.00 N ATOM 19 CA ASP A 2 1.858 -3.132 -3.390 1.00 0.00 C ATOM 20 C ASP A 2 2.622 -3.078 -4.709 1.00 0.00 C ATOM 21 O ASP A 2 2.283 -3.779 -5.662 1.00 0.00 O ATOM 22 CB ASP A 2 0.490 -3.781 -3.605 1.00 0.00 C ATOM 23 CG ASP A 2 -0.132 -4.263 -2.309 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.643 -3.416 -1.546 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.108 -5.486 -2.057 1.00 0.00 O ATOM 0 H ASP A 2 1.067 -1.190 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 2 2.430 -3.734 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.179 -3.064 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.594 -4.623 -4.290 1.00 0.00 H new ATOM 30 N GLU A 3 3.654 -2.241 -4.756 1.00 0.00 N ATOM 31 CA GLU A 3 4.464 -2.096 -5.959 1.00 0.00 C ATOM 32 C GLU A 3 5.949 -2.241 -5.637 1.00 0.00 C ATOM 33 O GLU A 3 6.800 -1.633 -6.286 1.00 0.00 O ATOM 34 CB GLU A 3 4.205 -0.737 -6.615 1.00 0.00 C ATOM 35 CG GLU A 3 2.766 -0.544 -7.064 1.00 0.00 C ATOM 36 CD GLU A 3 2.496 -1.141 -8.431 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.115 -2.176 -8.758 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.668 -0.575 -9.174 1.00 0.00 O ATOM 0 H GLU A 3 3.948 -1.654 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 3 4.181 -2.887 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.466 0.053 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.864 -0.627 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.097 -1.000 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.536 0.521 -7.085 1.00 0.00 H new ATOM 45 N THR A 4 6.252 -3.052 -4.628 1.00 0.00 N ATOM 46 CA THR A 4 7.632 -3.277 -4.217 1.00 0.00 C ATOM 47 C THR A 4 7.741 -4.484 -3.292 1.00 0.00 C ATOM 48 O THR A 4 7.534 -4.373 -2.084 1.00 0.00 O ATOM 49 CB THR A 4 8.214 -2.043 -3.502 1.00 0.00 C ATOM 50 OG1 THR A 4 7.155 -1.170 -3.093 1.00 0.00 O ATOM 51 CG2 THR A 4 9.173 -1.292 -4.413 1.00 0.00 C ATOM 0 H THR A 4 5.560 -3.564 -4.081 1.00 0.00 H new ATOM 0 HA THR A 4 8.205 -3.466 -5.125 1.00 0.00 H new ATOM 0 HB THR A 4 8.763 -2.384 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.533 -0.389 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.571 -0.425 -3.886 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.993 -1.950 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.643 -0.962 -5.306 1.00 0.00 H new ATOM 59 N GLY A 5 8.067 -5.638 -3.867 1.00 0.00 N ATOM 60 CA GLY A 5 8.198 -6.849 -3.078 1.00 0.00 C ATOM 61 C GLY A 5 8.366 -8.086 -3.938 1.00 0.00 C ATOM 62 O GLY A 5 7.872 -9.160 -3.597 1.00 0.00 O ATOM 0 H GLY A 5 8.243 -5.756 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.056 -6.754 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.316 -6.965 -2.448 1.00 0.00 H new ATOM 66 N LYS A 6 9.063 -7.935 -5.059 1.00 0.00 N ATOM 67 CA LYS A 6 9.295 -9.048 -5.972 1.00 0.00 C ATOM 68 C LYS A 6 10.742 -9.063 -6.454 1.00 0.00 C ATOM 69 O LYS A 6 11.494 -9.991 -6.157 1.00 0.00 O ATOM 70 CB LYS A 6 8.348 -8.956 -7.171 1.00 0.00 C ATOM 71 CG LYS A 6 7.203 -7.979 -6.968 1.00 0.00 C ATOM 72 CD LYS A 6 7.615 -6.558 -7.312 1.00 0.00 C ATOM 73 CE LYS A 6 6.606 -5.544 -6.795 1.00 0.00 C ATOM 74 NZ LYS A 6 5.282 -5.691 -7.461 1.00 0.00 N ATOM 0 H LYS A 6 9.477 -7.052 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 6 9.100 -9.975 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.918 -8.657 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.939 -9.945 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.357 -8.274 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.867 -8.021 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.595 -6.348 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.712 -6.458 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.487 -5.667 -5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.986 -4.536 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.632 -4.961 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.397 -5.583 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.892 -6.632 -7.253 1.00 0.00 H new ATOM 88 N GLU A 7 11.125 -8.030 -7.197 1.00 0.00 N ATOM 89 CA GLU A 7 12.483 -7.926 -7.718 1.00 0.00 C ATOM 90 C GLU A 7 12.849 -6.472 -7.999 1.00 0.00 C ATOM 91 O GLU A 7 11.983 -5.648 -8.298 1.00 0.00 O ATOM 92 CB GLU A 7 12.627 -8.755 -8.996 1.00 0.00 C ATOM 93 CG GLU A 7 12.781 -10.245 -8.741 1.00 0.00 C ATOM 94 CD GLU A 7 13.904 -10.558 -7.771 1.00 0.00 C ATOM 95 OE1 GLU A 7 14.886 -9.788 -7.734 1.00 0.00 O ATOM 96 OE2 GLU A 7 13.800 -11.572 -7.050 1.00 0.00 O ATOM 0 H GLU A 7 10.515 -7.254 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 7 13.165 -8.314 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.752 -8.591 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.493 -8.399 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.845 -10.641 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.970 -10.754 -9.686 1.00 0.00 H new ATOM 103 N LEU A 8 14.137 -6.162 -7.899 1.00 0.00 N ATOM 104 CA LEU A 8 14.619 -4.806 -8.141 1.00 0.00 C ATOM 105 C LEU A 8 16.003 -4.827 -8.780 1.00 0.00 C ATOM 106 O LEU A 8 16.772 -5.770 -8.591 1.00 0.00 O ATOM 107 CB LEU A 8 14.660 -4.017 -6.831 1.00 0.00 C ATOM 108 CG LEU A 8 13.325 -3.451 -6.346 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.255 -3.476 -4.827 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.125 -2.035 -6.868 1.00 0.00 C ATOM 0 H LEU A 8 14.866 -6.831 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 8 13.929 -4.318 -8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.061 -4.665 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.361 -3.190 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 8 12.523 -4.078 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.298 -3.069 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.352 -4.503 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.065 -2.873 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.170 -1.648 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.932 -1.397 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.130 -2.045 -7.958 1.00 0.00 H new ATOM 122 N VAL A 9 16.317 -3.779 -9.535 1.00 0.00 N ATOM 123 CA VAL A 9 17.610 -3.675 -10.200 1.00 0.00 C ATOM 124 C VAL A 9 18.296 -2.355 -9.863 1.00 0.00 C ATOM 125 O VAL A 9 17.637 -1.340 -9.637 1.00 0.00 O ATOM 126 CB VAL A 9 17.467 -3.791 -11.729 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.759 -5.084 -12.102 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.725 -2.586 -12.287 1.00 0.00 C ATOM 0 H VAL A 9 15.693 -2.990 -9.701 1.00 0.00 H new ATOM 0 HA VAL A 9 18.220 -4.502 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 9 18.464 -3.811 -12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.667 -5.149 -13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.336 -5.933 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.766 -5.098 -11.652 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.633 -2.684 -13.369 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.732 -2.532 -11.842 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.278 -1.677 -12.051 1.00 0.00 H new ATOM 138 N LEU A 10 19.624 -2.376 -9.832 1.00 0.00 N ATOM 139 CA LEU A 10 20.401 -1.181 -9.523 1.00 0.00 C ATOM 140 C LEU A 10 20.834 -0.468 -10.801 1.00 0.00 C ATOM 141 O LEU A 10 21.242 -1.106 -11.771 1.00 0.00 O ATOM 142 CB LEU A 10 21.630 -1.549 -8.690 1.00 0.00 C ATOM 143 CG LEU A 10 22.113 -0.486 -7.702 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.879 -1.131 -6.557 1.00 0.00 C ATOM 145 CD2 LEU A 10 22.977 0.547 -8.410 1.00 0.00 C ATOM 0 H LEU A 10 20.185 -3.207 -10.017 1.00 0.00 H new ATOM 0 HA LEU A 10 19.769 -0.505 -8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.408 -2.460 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.449 -1.783 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 10 21.242 0.022 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.215 -0.360 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 10 22.229 -1.831 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 10 23.743 -1.665 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.312 1.295 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.844 0.055 -8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 10 22.396 1.032 -9.194 1.00 0.00 H new ATOM 157 N ALA A 11 20.744 0.858 -10.792 1.00 0.00 N ATOM 158 CA ALA A 11 21.130 1.657 -11.948 1.00 0.00 C ATOM 159 C ALA A 11 22.584 2.107 -11.843 1.00 0.00 C ATOM 160 O ALA A 11 22.944 2.876 -10.952 1.00 0.00 O ATOM 161 CB ALA A 11 20.212 2.863 -12.086 1.00 0.00 C ATOM 0 H ALA A 11 20.407 1.401 -9.997 1.00 0.00 H new ATOM 0 HA ALA A 11 21.032 1.035 -12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.512 3.451 -12.953 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.184 2.525 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.282 3.478 -11.189 1.00 0.00 H new ATOM 167 N LEU A 12 23.415 1.621 -12.759 1.00 0.00 N ATOM 168 CA LEU A 12 24.831 1.972 -12.770 1.00 0.00 C ATOM 169 C LEU A 12 25.055 3.309 -13.469 1.00 0.00 C ATOM 170 O LEU A 12 25.749 4.184 -12.950 1.00 0.00 O ATOM 171 CB LEU A 12 25.643 0.878 -13.464 1.00 0.00 C ATOM 172 CG LEU A 12 25.303 -0.561 -13.074 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.921 -1.542 -14.058 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.775 -0.855 -11.657 1.00 0.00 C ATOM 0 H LEU A 12 23.133 0.983 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 12 25.165 2.063 -11.737 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.510 0.982 -14.541 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.699 1.050 -13.255 1.00 0.00 H new ATOM 0 HG LEU A 12 24.220 -0.680 -13.107 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.668 -2.561 -13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.534 -1.347 -15.058 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.004 -1.423 -14.058 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.525 -1.883 -11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.855 -0.718 -11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.284 -0.175 -10.961 1.00 0.00 H new ATOM 186 N TYR A 13 24.463 3.461 -14.648 1.00 0.00 N ATOM 187 CA TYR A 13 24.598 4.691 -15.419 1.00 0.00 C ATOM 188 C TYR A 13 23.239 5.351 -15.635 1.00 0.00 C ATOM 189 O TYR A 13 22.244 4.676 -15.902 1.00 0.00 O ATOM 190 CB TYR A 13 25.257 4.402 -16.769 1.00 0.00 C ATOM 191 CG TYR A 13 26.595 3.707 -16.653 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.762 4.435 -16.454 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.692 2.324 -16.743 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.987 3.805 -16.348 1.00 0.00 C ATOM 195 CE2 TYR A 13 27.913 1.686 -16.637 1.00 0.00 C ATOM 196 CZ TYR A 13 29.057 2.430 -16.440 1.00 0.00 C ATOM 197 OH TYR A 13 30.275 1.798 -16.335 1.00 0.00 O ATOM 0 H TYR A 13 23.885 2.747 -15.091 1.00 0.00 H new ATOM 0 HA TYR A 13 25.229 5.377 -14.853 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.587 3.784 -17.366 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.390 5.340 -17.307 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.710 5.511 -16.381 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.798 1.738 -16.898 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.885 4.385 -16.194 1.00 0.00 H new ATOM 0 HE2 TYR A 13 27.971 0.610 -16.708 1.00 0.00 H new ATOM 0 HH TYR A 13 30.150 0.830 -16.420 1.00 0.00 H new ATOM 207 N ASP A 14 23.206 6.673 -15.517 1.00 0.00 N ATOM 208 CA ASP A 14 21.971 7.427 -15.700 1.00 0.00 C ATOM 209 C ASP A 14 21.387 7.184 -17.088 1.00 0.00 C ATOM 210 O ASP A 14 22.084 6.725 -17.994 1.00 0.00 O ATOM 211 CB ASP A 14 22.225 8.921 -15.494 1.00 0.00 C ATOM 212 CG ASP A 14 23.105 9.513 -16.577 1.00 0.00 C ATOM 213 OD1 ASP A 14 22.586 9.782 -17.681 1.00 0.00 O ATOM 214 OD2 ASP A 14 24.312 9.707 -16.322 1.00 0.00 O ATOM 0 H ASP A 14 24.021 7.246 -15.295 1.00 0.00 H new ATOM 0 HA ASP A 14 21.251 7.083 -14.957 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.272 9.449 -15.475 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.695 9.076 -14.523 1.00 0.00 H new ATOM 219 N TYR A 15 20.105 7.492 -17.247 1.00 0.00 N ATOM 220 CA TYR A 15 19.427 7.304 -18.524 1.00 0.00 C ATOM 221 C TYR A 15 18.511 8.485 -18.834 1.00 0.00 C ATOM 222 O TYR A 15 18.357 9.394 -18.019 1.00 0.00 O ATOM 223 CB TYR A 15 18.616 6.007 -18.509 1.00 0.00 C ATOM 224 CG TYR A 15 18.471 5.368 -19.871 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.588 5.053 -20.635 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.216 5.080 -20.395 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.460 4.469 -21.881 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.079 4.495 -21.639 1.00 0.00 C ATOM 229 CZ TYR A 15 18.203 4.192 -22.378 1.00 0.00 C ATOM 230 OH TYR A 15 18.070 3.611 -23.618 1.00 0.00 O ATOM 0 H TYR A 15 19.514 7.873 -16.508 1.00 0.00 H new ATOM 0 HA TYR A 15 20.187 7.241 -19.303 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.094 5.298 -17.833 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.624 6.213 -18.106 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.573 5.268 -20.248 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.333 5.318 -19.820 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.339 4.231 -22.462 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.097 4.276 -22.031 1.00 0.00 H new ATOM 0 HH TYR A 15 17.943 2.645 -23.515 1.00 0.00 H new ATOM 240 N GLN A 16 17.907 8.462 -20.017 1.00 0.00 N ATOM 241 CA GLN A 16 17.007 9.530 -20.435 1.00 0.00 C ATOM 242 C GLN A 16 15.984 9.017 -21.443 1.00 0.00 C ATOM 243 O GLN A 16 16.263 8.938 -22.639 1.00 0.00 O ATOM 244 CB GLN A 16 17.802 10.688 -21.042 1.00 0.00 C ATOM 245 CG GLN A 16 17.907 11.898 -20.129 1.00 0.00 C ATOM 246 CD GLN A 16 17.027 13.047 -20.578 1.00 0.00 C ATOM 247 OE1 GLN A 16 17.156 13.542 -21.699 1.00 0.00 O ATOM 248 NE2 GLN A 16 16.125 13.479 -19.705 1.00 0.00 N ATOM 0 H GLN A 16 18.024 7.716 -20.703 1.00 0.00 H new ATOM 0 HA GLN A 16 16.474 9.887 -19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.805 10.340 -21.287 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.332 10.989 -21.978 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.630 11.608 -19.115 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.944 12.232 -20.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.052 13.040 -18.787 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.504 14.250 -19.952 1.00 0.00 H new ATOM 257 N GLU A 17 14.799 8.668 -20.952 1.00 0.00 N ATOM 258 CA GLU A 17 13.735 8.161 -21.811 1.00 0.00 C ATOM 259 C GLU A 17 13.501 9.095 -22.995 1.00 0.00 C ATOM 260 O GLU A 17 13.620 10.314 -22.873 1.00 0.00 O ATOM 261 CB GLU A 17 12.440 7.996 -21.013 1.00 0.00 C ATOM 262 CG GLU A 17 11.932 9.291 -20.402 1.00 0.00 C ATOM 263 CD GLU A 17 10.829 9.064 -19.387 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.426 7.897 -19.201 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.368 10.053 -18.779 1.00 0.00 O ATOM 0 H GLU A 17 14.552 8.727 -19.964 1.00 0.00 H new ATOM 0 HA GLU A 17 14.044 7.188 -22.193 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.670 7.586 -21.667 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.603 7.269 -20.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.761 9.811 -19.922 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.563 9.942 -21.195 1.00 0.00 H new ATOM 272 N LYS A 18 13.166 8.513 -24.142 1.00 0.00 N ATOM 273 CA LYS A 18 12.914 9.290 -25.349 1.00 0.00 C ATOM 274 C LYS A 18 11.478 9.102 -25.827 1.00 0.00 C ATOM 275 O LYS A 18 10.907 9.983 -26.471 1.00 0.00 O ATOM 276 CB LYS A 18 13.888 8.882 -26.456 1.00 0.00 C ATOM 277 CG LYS A 18 13.898 7.390 -26.739 1.00 0.00 C ATOM 278 CD LYS A 18 14.886 6.659 -25.845 1.00 0.00 C ATOM 279 CE LYS A 18 16.007 6.026 -26.654 1.00 0.00 C ATOM 280 NZ LYS A 18 17.164 5.647 -25.797 1.00 0.00 N ATOM 0 H LYS A 18 13.063 7.505 -24.260 1.00 0.00 H new ATOM 0 HA LYS A 18 13.065 10.343 -25.111 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.629 9.415 -27.371 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.894 9.197 -26.178 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.898 6.983 -26.587 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.156 7.219 -27.784 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.307 7.356 -25.121 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.364 5.888 -25.279 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.630 5.141 -27.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.338 6.723 -27.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.974 5.394 -26.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.422 6.449 -25.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.905 4.832 -25.205 1.00 0.00 H new ATOM 294 N SER A 19 10.898 7.950 -25.506 1.00 0.00 N ATOM 295 CA SER A 19 9.529 7.646 -25.905 1.00 0.00 C ATOM 296 C SER A 19 8.623 7.518 -24.684 1.00 0.00 C ATOM 297 O SER A 19 9.080 7.312 -23.559 1.00 0.00 O ATOM 298 CB SER A 19 9.488 6.353 -26.722 1.00 0.00 C ATOM 299 OG SER A 19 9.027 5.267 -25.936 1.00 0.00 O ATOM 0 H SER A 19 11.355 7.212 -24.971 1.00 0.00 H new ATOM 0 HA SER A 19 9.166 8.468 -26.521 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.835 6.485 -27.585 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.483 6.131 -27.107 1.00 0.00 H new ATOM 0 HG SER A 19 9.643 4.511 -26.030 1.00 0.00 H new ATOM 305 N PRO A 20 7.307 7.643 -24.909 1.00 0.00 N ATOM 306 CA PRO A 20 6.308 7.545 -23.840 1.00 0.00 C ATOM 307 C PRO A 20 6.180 6.126 -23.295 1.00 0.00 C ATOM 308 O PRO A 20 5.628 5.914 -22.216 1.00 0.00 O ATOM 309 CB PRO A 20 5.009 7.973 -24.528 1.00 0.00 C ATOM 310 CG PRO A 20 5.226 7.669 -25.970 1.00 0.00 C ATOM 311 CD PRO A 20 6.692 7.889 -26.224 1.00 0.00 C ATOM 0 HA PRO A 20 6.572 8.158 -22.978 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.153 7.426 -24.133 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.809 9.033 -24.373 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.940 6.643 -26.200 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.619 8.318 -26.601 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.076 7.205 -26.981 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.891 8.901 -26.578 1.00 0.00 H new ATOM 319 N ARG A 21 6.693 5.159 -24.048 1.00 0.00 N ATOM 320 CA ARG A 21 6.635 3.761 -23.641 1.00 0.00 C ATOM 321 C ARG A 21 7.967 3.312 -23.047 1.00 0.00 C ATOM 322 O ARG A 21 8.307 2.130 -23.084 1.00 0.00 O ATOM 323 CB ARG A 21 6.272 2.874 -24.833 1.00 0.00 C ATOM 324 CG ARG A 21 7.258 2.969 -25.986 1.00 0.00 C ATOM 325 CD ARG A 21 6.952 1.944 -27.067 1.00 0.00 C ATOM 326 NE ARG A 21 5.816 2.343 -27.893 1.00 0.00 N ATOM 327 CZ ARG A 21 5.378 1.637 -28.930 1.00 0.00 C ATOM 328 NH1 ARG A 21 5.978 0.503 -29.265 1.00 0.00 N ATOM 329 NH2 ARG A 21 4.338 2.065 -29.633 1.00 0.00 N ATOM 0 H ARG A 21 7.154 5.318 -24.944 1.00 0.00 H new ATOM 0 HA ARG A 21 5.864 3.664 -22.877 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.215 1.838 -24.500 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.280 3.149 -25.191 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.224 3.971 -26.413 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.271 2.815 -25.614 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.830 1.810 -27.699 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.743 0.980 -26.604 1.00 0.00 H new ATOM 0 HE ARG A 21 5.332 3.211 -27.661 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.778 0.171 -28.726 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.640 -0.037 -30.061 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.874 2.937 -29.378 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.002 1.523 -30.429 1.00 0.00 H new ATOM 343 N GLU A 22 8.716 4.264 -22.500 1.00 0.00 N ATOM 344 CA GLU A 22 10.011 3.966 -21.900 1.00 0.00 C ATOM 345 C GLU A 22 10.182 4.708 -20.577 1.00 0.00 C ATOM 346 O GLU A 22 9.439 5.643 -20.277 1.00 0.00 O ATOM 347 CB GLU A 22 11.142 4.343 -22.859 1.00 0.00 C ATOM 348 CG GLU A 22 12.473 3.697 -22.514 1.00 0.00 C ATOM 349 CD GLU A 22 13.236 3.242 -23.743 1.00 0.00 C ATOM 350 OE1 GLU A 22 12.704 2.395 -24.491 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.365 3.732 -23.957 1.00 0.00 O ATOM 0 H GLU A 22 8.449 5.247 -22.460 1.00 0.00 H new ATOM 0 HA GLU A 22 10.053 2.895 -21.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.860 4.055 -23.872 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.262 5.426 -22.858 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.083 4.406 -21.954 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.299 2.841 -21.861 1.00 0.00 H new ATOM 358 N VAL A 23 11.166 4.285 -19.791 1.00 0.00 N ATOM 359 CA VAL A 23 11.436 4.909 -18.501 1.00 0.00 C ATOM 360 C VAL A 23 12.888 5.362 -18.402 1.00 0.00 C ATOM 361 O VAL A 23 13.664 5.209 -19.346 1.00 0.00 O ATOM 362 CB VAL A 23 11.130 3.947 -17.337 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.628 3.803 -17.144 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.777 2.592 -17.582 1.00 0.00 C ATOM 0 H VAL A 23 11.790 3.513 -20.025 1.00 0.00 H new ATOM 0 HA VAL A 23 10.782 5.778 -18.427 1.00 0.00 H new ATOM 0 HB VAL A 23 11.551 4.365 -16.423 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.431 3.120 -16.318 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.195 4.778 -16.920 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.180 3.408 -18.056 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.551 1.925 -16.750 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.388 2.165 -18.506 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.857 2.714 -17.666 1.00 0.00 H new ATOM 374 N THR A 24 13.251 5.923 -17.253 1.00 0.00 N ATOM 375 CA THR A 24 14.610 6.399 -17.030 1.00 0.00 C ATOM 376 C THR A 24 15.069 6.108 -15.606 1.00 0.00 C ATOM 377 O THR A 24 14.270 5.723 -14.753 1.00 0.00 O ATOM 378 CB THR A 24 14.725 7.913 -17.295 1.00 0.00 C ATOM 379 OG1 THR A 24 16.099 8.277 -17.470 1.00 0.00 O ATOM 380 CG2 THR A 24 14.126 8.710 -16.146 1.00 0.00 C ATOM 0 H THR A 24 12.622 6.059 -16.462 1.00 0.00 H new ATOM 0 HA THR A 24 15.251 5.864 -17.731 1.00 0.00 H new ATOM 0 HB THR A 24 14.170 8.144 -18.204 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.314 9.034 -16.886 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.219 9.776 -16.355 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.073 8.452 -16.035 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.657 8.474 -15.224 1.00 0.00 H new ATOM 388 N MET A 25 16.361 6.295 -15.356 1.00 0.00 N ATOM 389 CA MET A 25 16.925 6.053 -14.033 1.00 0.00 C ATOM 390 C MET A 25 18.152 6.928 -13.797 1.00 0.00 C ATOM 391 O MET A 25 18.674 7.546 -14.725 1.00 0.00 O ATOM 392 CB MET A 25 17.298 4.578 -13.875 1.00 0.00 C ATOM 393 CG MET A 25 18.352 4.109 -14.865 1.00 0.00 C ATOM 394 SD MET A 25 17.739 2.828 -15.977 1.00 0.00 S ATOM 395 CE MET A 25 19.054 2.776 -17.192 1.00 0.00 C ATOM 0 H MET A 25 17.036 6.613 -16.051 1.00 0.00 H new ATOM 0 HA MET A 25 16.169 6.310 -13.291 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.663 4.410 -12.862 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.402 3.970 -13.996 1.00 0.00 H new ATOM 0 HG2 MET A 25 18.697 4.960 -15.452 1.00 0.00 H new ATOM 0 HG3 MET A 25 19.215 3.728 -14.318 1.00 0.00 H new ATOM 0 HE1 MET A 25 18.699 3.201 -18.131 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.906 3.353 -16.831 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.359 1.742 -17.354 1.00 0.00 H new ATOM 405 N LYS A 26 18.609 6.976 -12.550 1.00 0.00 N ATOM 406 CA LYS A 26 19.775 7.774 -12.192 1.00 0.00 C ATOM 407 C LYS A 26 20.837 6.912 -11.517 1.00 0.00 C ATOM 408 O LYS A 26 20.535 5.855 -10.963 1.00 0.00 O ATOM 409 CB LYS A 26 19.369 8.921 -11.265 1.00 0.00 C ATOM 410 CG LYS A 26 18.799 10.123 -11.998 1.00 0.00 C ATOM 411 CD LYS A 26 19.093 11.418 -11.259 1.00 0.00 C ATOM 412 CE LYS A 26 20.486 11.938 -11.578 1.00 0.00 C ATOM 413 NZ LYS A 26 20.810 13.167 -10.803 1.00 0.00 N ATOM 0 H LYS A 26 18.189 6.471 -11.770 1.00 0.00 H new ATOM 0 HA LYS A 26 20.196 8.188 -13.108 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.629 8.556 -10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.239 9.236 -10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.221 10.172 -13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.721 10.004 -12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.352 12.170 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.002 11.254 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 26 21.222 11.165 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.559 12.151 -12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.768 13.490 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.123 13.913 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.766 12.957 -9.785 1.00 0.00 H new ATOM 427 N LYS A 27 22.083 7.371 -11.565 1.00 0.00 N ATOM 428 CA LYS A 27 23.191 6.645 -10.955 1.00 0.00 C ATOM 429 C LYS A 27 22.884 6.305 -9.500 1.00 0.00 C ATOM 430 O LYS A 27 22.771 7.193 -8.656 1.00 0.00 O ATOM 431 CB LYS A 27 24.477 7.471 -11.037 1.00 0.00 C ATOM 432 CG LYS A 27 24.290 8.926 -10.644 1.00 0.00 C ATOM 433 CD LYS A 27 24.352 9.843 -11.855 1.00 0.00 C ATOM 434 CE LYS A 27 25.051 11.153 -11.526 1.00 0.00 C ATOM 435 NZ LYS A 27 25.014 12.104 -12.672 1.00 0.00 N ATOM 0 H LYS A 27 22.351 8.243 -12.021 1.00 0.00 H new ATOM 0 HA LYS A 27 23.329 5.714 -11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.230 7.022 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.864 7.425 -12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.330 9.048 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.061 9.213 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.880 9.341 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 27 23.342 10.047 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.575 11.611 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.087 10.953 -11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.501 12.985 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.490 11.678 -13.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.025 12.315 -12.916 1.00 0.00 H new ATOM 449 N GLY A 28 22.752 5.013 -9.214 1.00 0.00 N ATOM 450 CA GLY A 28 22.461 4.580 -7.860 1.00 0.00 C ATOM 451 C GLY A 28 20.972 4.472 -7.593 1.00 0.00 C ATOM 452 O GLY A 28 20.541 4.454 -6.440 1.00 0.00 O ATOM 0 H GLY A 28 22.841 4.259 -9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.930 3.612 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.904 5.283 -7.154 1.00 0.00 H new ATOM 456 N ASP A 29 20.186 4.400 -8.661 1.00 0.00 N ATOM 457 CA ASP A 29 18.736 4.294 -8.537 1.00 0.00 C ATOM 458 C ASP A 29 18.299 2.832 -8.516 1.00 0.00 C ATOM 459 O ASP A 29 19.045 1.945 -8.930 1.00 0.00 O ATOM 460 CB ASP A 29 18.049 5.028 -9.689 1.00 0.00 C ATOM 461 CG ASP A 29 16.577 5.275 -9.422 1.00 0.00 C ATOM 462 OD1 ASP A 29 16.204 5.407 -8.238 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.799 5.337 -10.397 1.00 0.00 O ATOM 0 H ASP A 29 20.528 4.413 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 29 18.441 4.757 -7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.550 5.981 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.157 4.445 -10.603 1.00 0.00 H new ATOM 468 N ILE A 30 17.086 2.590 -8.031 1.00 0.00 N ATOM 469 CA ILE A 30 16.550 1.237 -7.956 1.00 0.00 C ATOM 470 C ILE A 30 15.188 1.147 -8.636 1.00 0.00 C ATOM 471 O ILE A 30 14.287 1.938 -8.353 1.00 0.00 O ATOM 472 CB ILE A 30 16.415 0.764 -6.497 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.736 0.960 -5.750 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.985 -0.694 -6.450 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.636 0.691 -4.265 1.00 0.00 C ATOM 0 H ILE A 30 16.456 3.313 -7.684 1.00 0.00 H new ATOM 0 HA ILE A 30 17.256 0.589 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 30 15.649 1.364 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.489 0.300 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.083 1.982 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.894 -1.013 -5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.023 -0.806 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.730 -1.309 -6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.609 0.849 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.907 1.369 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.320 -0.339 -4.102 1.00 0.00 H new ATOM 487 N LEU A 31 15.043 0.177 -9.532 1.00 0.00 N ATOM 488 CA LEU A 31 13.790 -0.019 -10.252 1.00 0.00 C ATOM 489 C LEU A 31 13.249 -1.428 -10.032 1.00 0.00 C ATOM 490 O LEU A 31 13.998 -2.405 -10.068 1.00 0.00 O ATOM 491 CB LEU A 31 13.992 0.234 -11.747 1.00 0.00 C ATOM 492 CG LEU A 31 14.203 1.691 -12.159 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.105 2.572 -11.585 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.572 2.180 -11.709 1.00 0.00 C ATOM 0 H LEU A 31 15.778 -0.486 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 31 13.063 0.694 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.853 -0.345 -12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.123 -0.151 -12.281 1.00 0.00 H new ATOM 0 HG LEU A 31 14.158 1.751 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.272 3.605 -11.889 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.137 2.236 -11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.118 2.507 -10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.705 3.219 -12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.647 2.105 -10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.347 1.567 -12.169 1.00 0.00 H new ATOM 506 N THR A 32 11.943 -1.527 -9.804 1.00 0.00 N ATOM 507 CA THR A 32 11.302 -2.816 -9.579 1.00 0.00 C ATOM 508 C THR A 32 11.251 -3.637 -10.863 1.00 0.00 C ATOM 509 O THR A 32 10.552 -3.280 -11.812 1.00 0.00 O ATOM 510 CB THR A 32 9.871 -2.644 -9.036 1.00 0.00 C ATOM 511 OG1 THR A 32 9.902 -1.952 -7.783 1.00 0.00 O ATOM 512 CG2 THR A 32 9.194 -3.995 -8.857 1.00 0.00 C ATOM 0 H THR A 32 11.309 -0.729 -9.770 1.00 0.00 H new ATOM 0 HA THR A 32 11.903 -3.343 -8.838 1.00 0.00 H new ATOM 0 HB THR A 32 9.300 -2.061 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.988 -1.845 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.185 -3.848 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.145 -4.508 -9.818 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.766 -4.598 -8.152 1.00 0.00 H new ATOM 520 N LEU A 33 11.994 -4.737 -10.886 1.00 0.00 N ATOM 521 CA LEU A 33 12.033 -5.610 -12.054 1.00 0.00 C ATOM 522 C LEU A 33 10.693 -6.309 -12.256 1.00 0.00 C ATOM 523 O LEU A 33 10.101 -6.826 -11.307 1.00 0.00 O ATOM 524 CB LEU A 33 13.146 -6.649 -11.902 1.00 0.00 C ATOM 525 CG LEU A 33 13.587 -7.353 -13.186 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.514 -8.322 -13.658 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.903 -6.334 -14.271 1.00 0.00 C ATOM 0 H LEU A 33 12.578 -5.046 -10.109 1.00 0.00 H new ATOM 0 HA LEU A 33 12.236 -4.995 -12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.015 -6.159 -11.463 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.814 -7.406 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 33 14.493 -7.921 -12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.845 -8.814 -14.573 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.336 -9.072 -12.887 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.591 -7.776 -13.853 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.215 -6.853 -15.177 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.014 -5.739 -14.481 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.706 -5.680 -13.933 1.00 0.00 H new ATOM 539 N LEU A 34 10.221 -6.324 -13.497 1.00 0.00 N ATOM 540 CA LEU A 34 8.951 -6.963 -13.825 1.00 0.00 C ATOM 541 C LEU A 34 9.159 -8.130 -14.785 1.00 0.00 C ATOM 542 O LEU A 34 8.619 -9.216 -14.583 1.00 0.00 O ATOM 543 CB LEU A 34 7.990 -5.945 -14.443 1.00 0.00 C ATOM 544 CG LEU A 34 7.530 -4.812 -13.524 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.498 -3.942 -14.225 1.00 0.00 C ATOM 546 CD2 LEU A 34 6.966 -5.373 -12.227 1.00 0.00 C ATOM 0 H LEU A 34 10.698 -5.901 -14.293 1.00 0.00 H new ATOM 0 HA LEU A 34 8.518 -7.349 -12.902 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.471 -5.505 -15.316 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.108 -6.478 -14.799 1.00 0.00 H new ATOM 0 HG LEU A 34 8.393 -4.192 -13.283 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.182 -3.141 -13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.936 -3.511 -15.125 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.635 -4.549 -14.497 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.644 -4.553 -11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.114 -6.016 -12.449 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.735 -5.952 -11.716 1.00 0.00 H new ATOM 558 N ASN A 35 9.949 -7.897 -15.828 1.00 0.00 N ATOM 559 CA ASN A 35 10.231 -8.929 -16.819 1.00 0.00 C ATOM 560 C ASN A 35 11.647 -8.784 -17.368 1.00 0.00 C ATOM 561 O ASN A 35 12.110 -7.675 -17.634 1.00 0.00 O ATOM 562 CB ASN A 35 9.219 -8.857 -17.964 1.00 0.00 C ATOM 563 CG ASN A 35 8.191 -9.970 -17.897 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.048 -9.751 -17.497 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.595 -11.173 -18.290 1.00 0.00 N ATOM 0 H ASN A 35 10.405 -7.003 -16.009 1.00 0.00 H new ATOM 0 HA ASN A 35 10.147 -9.899 -16.329 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.710 -7.894 -17.935 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.747 -8.910 -18.916 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.948 -11.961 -18.267 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.552 -11.309 -18.614 1.00 0.00 H new ATOM 572 N SER A 36 12.330 -9.913 -17.535 1.00 0.00 N ATOM 573 CA SER A 36 13.695 -9.912 -18.049 1.00 0.00 C ATOM 574 C SER A 36 13.866 -10.968 -19.136 1.00 0.00 C ATOM 575 O SER A 36 14.952 -11.521 -19.316 1.00 0.00 O ATOM 576 CB SER A 36 14.690 -10.164 -16.914 1.00 0.00 C ATOM 577 OG SER A 36 16.023 -10.158 -17.395 1.00 0.00 O ATOM 0 H SER A 36 11.960 -10.839 -17.322 1.00 0.00 H new ATOM 0 HA SER A 36 13.893 -8.933 -18.484 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.573 -9.398 -16.147 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.474 -11.123 -16.443 1.00 0.00 H new ATOM 0 HG SER A 36 16.292 -9.238 -17.601 1.00 0.00 H new ATOM 583 N THR A 37 12.786 -11.245 -19.859 1.00 0.00 N ATOM 584 CA THR A 37 12.815 -12.236 -20.928 1.00 0.00 C ATOM 585 C THR A 37 13.928 -11.936 -21.925 1.00 0.00 C ATOM 586 O THR A 37 14.465 -12.843 -22.561 1.00 0.00 O ATOM 587 CB THR A 37 11.471 -12.293 -21.678 1.00 0.00 C ATOM 588 OG1 THR A 37 11.530 -13.278 -22.715 1.00 0.00 O ATOM 589 CG2 THR A 37 11.128 -10.937 -22.278 1.00 0.00 C ATOM 0 H THR A 37 11.880 -10.797 -19.724 1.00 0.00 H new ATOM 0 HA THR A 37 13.002 -13.202 -20.459 1.00 0.00 H new ATOM 0 HB THR A 37 10.693 -12.564 -20.964 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.671 -13.309 -23.186 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.175 -11.002 -22.803 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.055 -10.195 -21.483 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.909 -10.641 -22.979 1.00 0.00 H new ATOM 597 N ASN A 38 14.271 -10.659 -22.056 1.00 0.00 N ATOM 598 CA ASN A 38 15.321 -10.240 -22.977 1.00 0.00 C ATOM 599 C ASN A 38 16.679 -10.226 -22.282 1.00 0.00 C ATOM 600 O ASN A 38 16.776 -10.463 -21.078 1.00 0.00 O ATOM 601 CB ASN A 38 15.010 -8.853 -23.542 1.00 0.00 C ATOM 602 CG ASN A 38 15.326 -8.747 -25.022 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.353 -8.191 -25.410 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.441 -9.281 -25.855 1.00 0.00 N ATOM 0 H ASN A 38 13.837 -9.896 -21.536 1.00 0.00 H new ATOM 0 HA ASN A 38 15.359 -10.958 -23.797 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.956 -8.626 -23.381 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.584 -8.104 -22.996 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.599 -9.240 -26.862 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.603 -9.732 -25.488 1.00 0.00 H new ATOM 611 N LYS A 39 17.727 -9.944 -23.050 1.00 0.00 N ATOM 612 CA LYS A 39 19.081 -9.896 -22.509 1.00 0.00 C ATOM 613 C LYS A 39 19.714 -8.529 -22.749 1.00 0.00 C ATOM 614 O LYS A 39 20.818 -8.254 -22.279 1.00 0.00 O ATOM 615 CB LYS A 39 19.944 -10.988 -23.144 1.00 0.00 C ATOM 616 CG LYS A 39 19.262 -12.343 -23.207 1.00 0.00 C ATOM 617 CD LYS A 39 20.187 -13.408 -23.773 1.00 0.00 C ATOM 618 CE LYS A 39 19.843 -14.788 -23.235 1.00 0.00 C ATOM 619 NZ LYS A 39 18.860 -15.493 -24.104 1.00 0.00 N ATOM 0 H LYS A 39 17.665 -9.745 -24.049 1.00 0.00 H new ATOM 0 HA LYS A 39 19.023 -10.066 -21.434 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.218 -10.681 -24.153 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.870 -11.083 -22.577 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.938 -12.635 -22.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.367 -12.272 -23.824 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.116 -13.412 -24.861 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.220 -13.165 -23.522 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.752 -15.384 -23.157 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.436 -14.694 -22.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.652 -16.430 -23.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.983 -14.937 -24.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.258 -15.605 -25.058 1.00 0.00 H new ATOM 633 N ASP A 40 19.007 -7.675 -23.482 1.00 0.00 N ATOM 634 CA ASP A 40 19.499 -6.335 -23.781 1.00 0.00 C ATOM 635 C ASP A 40 18.680 -5.279 -23.046 1.00 0.00 C ATOM 636 O ASP A 40 19.210 -4.250 -22.627 1.00 0.00 O ATOM 637 CB ASP A 40 19.453 -6.077 -25.288 1.00 0.00 C ATOM 638 CG ASP A 40 20.600 -6.741 -26.025 1.00 0.00 C ATOM 639 OD1 ASP A 40 20.690 -7.985 -25.983 1.00 0.00 O ATOM 640 OD2 ASP A 40 21.407 -6.015 -26.643 1.00 0.00 O ATOM 0 H ASP A 40 18.092 -7.887 -23.880 1.00 0.00 H new ATOM 0 HA ASP A 40 20.532 -6.269 -23.440 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.508 -6.444 -25.688 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.481 -5.003 -25.471 1.00 0.00 H new ATOM 645 N TRP A 41 17.387 -5.539 -22.896 1.00 0.00 N ATOM 646 CA TRP A 41 16.494 -4.610 -22.212 1.00 0.00 C ATOM 647 C TRP A 41 15.611 -5.342 -21.208 1.00 0.00 C ATOM 648 O TRP A 41 15.218 -6.487 -21.433 1.00 0.00 O ATOM 649 CB TRP A 41 15.625 -3.866 -23.227 1.00 0.00 C ATOM 650 CG TRP A 41 16.419 -3.142 -24.272 1.00 0.00 C ATOM 651 CD1 TRP A 41 16.937 -3.671 -25.420 1.00 0.00 C ATOM 652 CD2 TRP A 41 16.786 -1.758 -24.263 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.605 -2.699 -26.125 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.526 -1.516 -25.438 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.561 -0.700 -23.380 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.041 -0.260 -25.747 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.073 0.546 -23.688 1.00 0.00 C ATOM 658 CH2 TRP A 41 17.805 0.758 -24.864 1.00 0.00 C ATOM 0 H TRP A 41 16.933 -6.385 -23.239 1.00 0.00 H new ATOM 0 HA TRP A 41 17.106 -3.889 -21.670 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.959 -4.578 -23.715 1.00 0.00 H new ATOM 0 HB3 TRP A 41 14.995 -3.150 -22.699 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.836 -4.701 -25.728 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.083 -2.836 -27.016 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.997 -0.853 -22.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.607 -0.095 -26.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 16.906 1.371 -23.011 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.190 1.744 -25.077 1.00 0.00 H new ATOM 669 N TRP A 42 15.304 -4.676 -20.101 1.00 0.00 N ATOM 670 CA TRP A 42 14.467 -5.265 -19.062 1.00 0.00 C ATOM 671 C TRP A 42 13.251 -4.388 -18.781 1.00 0.00 C ATOM 672 O TRP A 42 13.318 -3.164 -18.889 1.00 0.00 O ATOM 673 CB TRP A 42 15.275 -5.464 -17.779 1.00 0.00 C ATOM 674 CG TRP A 42 16.367 -6.481 -17.917 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.403 -7.532 -18.789 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.580 -6.545 -17.159 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.565 -8.245 -18.618 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.305 -7.659 -17.625 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.125 -5.768 -16.133 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.544 -8.013 -17.099 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.355 -6.121 -15.612 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.054 -7.235 -16.095 1.00 0.00 C ATOM 0 H TRP A 42 15.622 -3.728 -19.900 1.00 0.00 H new ATOM 0 HA TRP A 42 14.118 -6.235 -19.417 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.712 -4.511 -17.481 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.602 -5.770 -16.978 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.632 -7.768 -19.507 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.833 -9.076 -19.145 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.594 -4.907 -15.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.084 -8.872 -17.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.785 -5.528 -14.819 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.014 -7.485 -15.667 1.00 0.00 H new ATOM 693 N LYS A 43 12.141 -5.022 -18.419 1.00 0.00 N ATOM 694 CA LYS A 43 10.910 -4.300 -18.120 1.00 0.00 C ATOM 695 C LYS A 43 10.796 -4.013 -16.626 1.00 0.00 C ATOM 696 O LYS A 43 10.645 -4.930 -15.818 1.00 0.00 O ATOM 697 CB LYS A 43 9.696 -5.105 -18.590 1.00 0.00 C ATOM 698 CG LYS A 43 8.370 -4.405 -18.345 1.00 0.00 C ATOM 699 CD LYS A 43 7.956 -3.561 -19.538 1.00 0.00 C ATOM 700 CE LYS A 43 6.918 -4.275 -20.392 1.00 0.00 C ATOM 701 NZ LYS A 43 6.219 -3.337 -21.313 1.00 0.00 N ATOM 0 H LYS A 43 12.069 -6.035 -18.326 1.00 0.00 H new ATOM 0 HA LYS A 43 10.937 -3.350 -18.653 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.797 -5.311 -19.656 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.689 -6.068 -18.079 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.599 -5.147 -18.138 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.449 -3.773 -17.461 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.551 -2.611 -19.190 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.832 -3.331 -20.144 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.403 -5.060 -20.972 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.188 -4.761 -19.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.390 -3.810 -21.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.910 -2.497 -20.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.868 -3.048 -22.072 1.00 0.00 H new ATOM 715 N VAL A 44 10.868 -2.736 -16.266 1.00 0.00 N ATOM 716 CA VAL A 44 10.770 -2.329 -14.870 1.00 0.00 C ATOM 717 C VAL A 44 9.608 -1.364 -14.658 1.00 0.00 C ATOM 718 O VAL A 44 9.111 -0.759 -15.608 1.00 0.00 O ATOM 719 CB VAL A 44 12.072 -1.660 -14.388 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.254 -2.599 -14.571 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.302 -0.350 -15.125 1.00 0.00 C ATOM 0 H VAL A 44 10.994 -1.965 -16.922 1.00 0.00 H new ATOM 0 HA VAL A 44 10.597 -3.234 -14.288 1.00 0.00 H new ATOM 0 HB VAL A 44 11.975 -1.440 -13.325 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.164 -2.110 -14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.089 -3.508 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.357 -2.853 -15.626 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.226 0.109 -14.772 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.379 -0.543 -16.195 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.467 0.325 -14.937 1.00 0.00 H new ATOM 731 N GLU A 45 9.181 -1.227 -13.407 1.00 0.00 N ATOM 732 CA GLU A 45 8.076 -0.336 -13.072 1.00 0.00 C ATOM 733 C GLU A 45 8.566 0.853 -12.251 1.00 0.00 C ATOM 734 O GLU A 45 9.052 0.691 -11.131 1.00 0.00 O ATOM 735 CB GLU A 45 6.997 -1.095 -12.297 1.00 0.00 C ATOM 736 CG GLU A 45 5.581 -0.741 -12.720 1.00 0.00 C ATOM 737 CD GLU A 45 4.557 -1.746 -12.229 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.954 -2.705 -11.534 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.360 -1.574 -12.539 1.00 0.00 O ATOM 0 H GLU A 45 9.582 -1.721 -12.610 1.00 0.00 H new ATOM 0 HA GLU A 45 7.649 0.038 -14.003 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.150 -2.166 -12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.112 -0.888 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.328 0.247 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.535 -0.682 -13.807 1.00 0.00 H new ATOM 746 N VAL A 46 8.436 2.049 -12.817 1.00 0.00 N ATOM 747 CA VAL A 46 8.865 3.266 -12.138 1.00 0.00 C ATOM 748 C VAL A 46 7.686 3.970 -11.475 1.00 0.00 C ATOM 749 O VAL A 46 6.531 3.596 -11.678 1.00 0.00 O ATOM 750 CB VAL A 46 9.548 4.243 -13.114 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.772 3.598 -13.746 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.566 4.701 -14.182 1.00 0.00 C ATOM 0 H VAL A 46 8.037 2.201 -13.743 1.00 0.00 H new ATOM 0 HA VAL A 46 9.582 2.966 -11.374 1.00 0.00 H new ATOM 0 HB VAL A 46 9.877 5.119 -12.554 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.241 4.303 -14.432 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.482 3.323 -12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.471 2.705 -14.293 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.065 5.391 -14.863 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.206 3.837 -14.740 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.723 5.204 -13.709 1.00 0.00 H new ATOM 762 N LYS A 47 7.985 4.991 -10.679 1.00 0.00 N ATOM 763 CA LYS A 47 6.951 5.750 -9.986 1.00 0.00 C ATOM 764 C LYS A 47 6.933 7.201 -10.457 1.00 0.00 C ATOM 765 O LYS A 47 7.958 7.742 -10.870 1.00 0.00 O ATOM 766 CB LYS A 47 7.178 5.697 -8.473 1.00 0.00 C ATOM 767 CG LYS A 47 8.525 6.251 -8.040 1.00 0.00 C ATOM 768 CD LYS A 47 8.457 6.857 -6.649 1.00 0.00 C ATOM 769 CE LYS A 47 8.092 5.814 -5.603 1.00 0.00 C ATOM 770 NZ LYS A 47 8.981 4.622 -5.676 1.00 0.00 N ATOM 0 H LYS A 47 8.936 5.312 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 47 5.987 5.299 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.387 6.258 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.095 4.663 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.269 5.454 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.854 7.008 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.419 7.304 -6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.720 7.660 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.159 6.257 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.057 5.504 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.852 4.040 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.741 4.061 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.972 4.931 -5.737 1.00 0.00 H new ATOM 784 N ALA A 48 5.762 7.825 -10.390 1.00 0.00 N ATOM 785 CA ALA A 48 5.611 9.214 -10.806 1.00 0.00 C ATOM 786 C ALA A 48 4.501 9.905 -10.022 1.00 0.00 C ATOM 787 O ALA A 48 3.481 9.295 -9.701 1.00 0.00 O ATOM 788 CB ALA A 48 5.331 9.290 -12.300 1.00 0.00 C ATOM 0 H ALA A 48 4.903 7.391 -10.051 1.00 0.00 H new ATOM 0 HA ALA A 48 6.546 9.734 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.220 10.333 -12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.160 8.842 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.412 8.749 -12.526 1.00 0.00 H new ATOM 794 N THR A 49 4.706 11.183 -9.716 1.00 0.00 N ATOM 795 CA THR A 49 3.723 11.956 -8.967 1.00 0.00 C ATOM 796 C THR A 49 3.047 12.993 -9.857 1.00 0.00 C ATOM 797 O THR A 49 3.714 13.797 -10.507 1.00 0.00 O ATOM 798 CB THR A 49 4.368 12.670 -7.765 1.00 0.00 C ATOM 799 OG1 THR A 49 5.233 11.768 -7.066 1.00 0.00 O ATOM 800 CG2 THR A 49 3.304 13.198 -6.814 1.00 0.00 C ATOM 0 H THR A 49 5.544 11.704 -9.975 1.00 0.00 H new ATOM 0 HA THR A 49 2.976 11.251 -8.603 1.00 0.00 H new ATOM 0 HB THR A 49 4.948 13.513 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.641 12.230 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.784 13.698 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.664 13.906 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.701 12.368 -6.446 1.00 0.00 H new ATOM 808 N ALA A 50 1.718 12.970 -9.880 1.00 0.00 N ATOM 809 CA ALA A 50 0.952 13.910 -10.688 1.00 0.00 C ATOM 810 C ALA A 50 -0.454 14.098 -10.126 1.00 0.00 C ATOM 811 O ALA A 50 -1.046 13.165 -9.586 1.00 0.00 O ATOM 812 CB ALA A 50 0.886 13.435 -12.132 1.00 0.00 C ATOM 0 H ALA A 50 1.150 12.310 -9.348 1.00 0.00 H new ATOM 0 HA ALA A 50 1.460 14.874 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.311 14.147 -12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.895 13.359 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.405 12.458 -12.172 1.00 0.00 H new ATOM 818 N ASN A 51 -0.981 15.311 -10.257 1.00 0.00 N ATOM 819 CA ASN A 51 -2.317 15.621 -9.761 1.00 0.00 C ATOM 820 C ASN A 51 -2.425 15.327 -8.268 1.00 0.00 C ATOM 821 O ASN A 51 -3.503 15.023 -7.761 1.00 0.00 O ATOM 822 CB ASN A 51 -3.368 14.816 -10.528 1.00 0.00 C ATOM 823 CG ASN A 51 -3.024 14.668 -11.998 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.127 15.622 -12.770 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.613 13.469 -12.391 1.00 0.00 N ATOM 0 H ASN A 51 -0.504 16.095 -10.702 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.498 16.684 -9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.464 13.827 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.337 15.305 -10.432 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.367 13.309 -13.368 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.543 12.707 -11.716 1.00 0.00 H new ATOM 832 N GLY A 52 -1.298 15.421 -7.569 1.00 0.00 N ATOM 833 CA GLY A 52 -1.287 15.162 -6.141 1.00 0.00 C ATOM 834 C GLY A 52 -1.479 13.694 -5.816 1.00 0.00 C ATOM 835 O GLY A 52 -1.911 13.345 -4.717 1.00 0.00 O ATOM 0 H GLY A 52 -0.393 15.672 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.341 15.503 -5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.076 15.743 -5.664 1.00 0.00 H new ATOM 839 N LYS A 53 -1.159 12.831 -6.774 1.00 0.00 N ATOM 840 CA LYS A 53 -1.299 11.392 -6.586 1.00 0.00 C ATOM 841 C LYS A 53 -0.040 10.659 -7.039 1.00 0.00 C ATOM 842 O LYS A 53 0.653 11.101 -7.956 1.00 0.00 O ATOM 843 CB LYS A 53 -2.511 10.871 -7.360 1.00 0.00 C ATOM 844 CG LYS A 53 -3.825 11.498 -6.927 1.00 0.00 C ATOM 845 CD LYS A 53 -4.374 10.833 -5.676 1.00 0.00 C ATOM 846 CE LYS A 53 -5.779 11.321 -5.356 1.00 0.00 C ATOM 847 NZ LYS A 53 -6.466 10.432 -4.380 1.00 0.00 N ATOM 0 H LYS A 53 -0.801 13.103 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.446 11.203 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.361 11.060 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.575 9.790 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.678 12.562 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.553 11.414 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.386 9.752 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.715 11.041 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.729 12.333 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.364 11.372 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.420 10.799 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.537 9.472 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.922 10.403 -3.494 1.00 0.00 H new ATOM 861 N THR A 54 0.251 9.535 -6.391 1.00 0.00 N ATOM 862 CA THR A 54 1.426 8.741 -6.728 1.00 0.00 C ATOM 863 C THR A 54 1.035 7.465 -7.465 1.00 0.00 C ATOM 864 O THR A 54 0.308 6.627 -6.932 1.00 0.00 O ATOM 865 CB THR A 54 2.231 8.367 -5.469 1.00 0.00 C ATOM 866 OG1 THR A 54 1.355 8.263 -4.341 1.00 0.00 O ATOM 867 CG2 THR A 54 3.308 9.404 -5.187 1.00 0.00 C ATOM 0 H THR A 54 -0.311 9.154 -5.630 1.00 0.00 H new ATOM 0 HA THR A 54 2.047 9.357 -7.378 1.00 0.00 H new ATOM 0 HB THR A 54 2.713 7.405 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.874 8.023 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.863 9.118 -4.293 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.990 9.460 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.844 10.377 -5.030 1.00 0.00 H new ATOM 875 N TYR A 55 1.522 7.324 -8.692 1.00 0.00 N ATOM 876 CA TYR A 55 1.221 6.150 -9.503 1.00 0.00 C ATOM 877 C TYR A 55 2.487 5.596 -10.150 1.00 0.00 C ATOM 878 O TYR A 55 3.462 6.320 -10.351 1.00 0.00 O ATOM 879 CB TYR A 55 0.195 6.499 -10.583 1.00 0.00 C ATOM 880 CG TYR A 55 0.729 7.431 -11.647 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.353 6.935 -12.784 1.00 0.00 C ATOM 882 CD2 TYR A 55 0.608 8.809 -11.515 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.843 7.783 -13.759 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.094 9.665 -12.485 1.00 0.00 C ATOM 885 CZ TYR A 55 1.710 9.147 -13.605 1.00 0.00 C ATOM 886 OH TYR A 55 2.196 9.995 -14.574 1.00 0.00 O ATOM 0 H TYR A 55 2.127 8.008 -9.147 1.00 0.00 H new ATOM 0 HA TYR A 55 0.804 5.385 -8.848 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.149 5.579 -11.057 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.674 6.959 -10.112 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.457 5.867 -12.909 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.126 9.218 -10.639 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.327 7.380 -14.636 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.992 10.734 -12.367 1.00 0.00 H new ATOM 0 HH TYR A 55 2.021 10.924 -14.314 1.00 0.00 H new ATOM 896 N GLU A 56 2.463 4.307 -10.473 1.00 0.00 N ATOM 897 CA GLU A 56 3.609 3.655 -11.096 1.00 0.00 C ATOM 898 C GLU A 56 3.308 3.299 -12.549 1.00 0.00 C ATOM 899 O GLU A 56 2.159 3.052 -12.913 1.00 0.00 O ATOM 900 CB GLU A 56 3.991 2.393 -10.319 1.00 0.00 C ATOM 901 CG GLU A 56 4.981 2.647 -9.194 1.00 0.00 C ATOM 902 CD GLU A 56 5.846 1.439 -8.894 1.00 0.00 C ATOM 903 OE1 GLU A 56 5.603 0.371 -9.494 1.00 0.00 O ATOM 904 OE2 GLU A 56 6.766 1.561 -8.058 1.00 0.00 O ATOM 0 H GLU A 56 1.663 3.694 -10.314 1.00 0.00 H new ATOM 0 HA GLU A 56 4.446 4.352 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.088 1.945 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.418 1.666 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.620 3.489 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.437 2.932 -8.294 1.00 0.00 H new ATOM 911 N ARG A 57 4.350 3.275 -13.374 1.00 0.00 N ATOM 912 CA ARG A 57 4.198 2.951 -14.787 1.00 0.00 C ATOM 913 C ARG A 57 5.244 1.932 -15.227 1.00 0.00 C ATOM 914 O ARG A 57 6.298 1.802 -14.604 1.00 0.00 O ATOM 915 CB ARG A 57 4.315 4.218 -15.638 1.00 0.00 C ATOM 916 CG ARG A 57 5.685 4.872 -15.570 1.00 0.00 C ATOM 917 CD ARG A 57 5.922 5.794 -16.756 1.00 0.00 C ATOM 918 NE ARG A 57 4.788 6.684 -16.992 1.00 0.00 N ATOM 919 CZ ARG A 57 4.580 7.805 -16.310 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.425 8.172 -15.356 1.00 0.00 N ATOM 921 NH2 ARG A 57 3.525 8.563 -16.583 1.00 0.00 N ATOM 0 H ARG A 57 5.308 3.476 -13.088 1.00 0.00 H new ATOM 0 HA ARG A 57 3.209 2.515 -14.930 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.091 3.971 -16.676 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.562 4.936 -15.312 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.773 5.439 -14.643 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.456 4.102 -15.547 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.819 6.388 -16.580 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.106 5.196 -17.649 1.00 0.00 H new ATOM 0 HE ARG A 57 4.120 6.431 -17.720 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.238 7.593 -15.144 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.262 9.033 -14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.873 8.285 -17.317 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.366 9.424 -16.059 1.00 0.00 H new ATOM 935 N GLN A 58 4.945 1.211 -16.303 1.00 0.00 N ATOM 936 CA GLN A 58 5.859 0.202 -16.824 1.00 0.00 C ATOM 937 C GLN A 58 6.747 0.785 -17.919 1.00 0.00 C ATOM 938 O GLN A 58 6.326 1.662 -18.672 1.00 0.00 O ATOM 939 CB GLN A 58 5.076 -0.994 -17.370 1.00 0.00 C ATOM 940 CG GLN A 58 4.974 -2.152 -16.391 1.00 0.00 C ATOM 941 CD GLN A 58 3.755 -3.019 -16.638 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.651 -2.696 -16.200 1.00 0.00 O ATOM 943 NE2 GLN A 58 3.950 -4.128 -17.342 1.00 0.00 N ATOM 0 H GLN A 58 4.077 1.307 -16.830 1.00 0.00 H new ATOM 0 HA GLN A 58 6.495 -0.133 -16.004 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.072 -0.668 -17.640 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.554 -1.344 -18.285 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.872 -2.765 -16.464 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.937 -1.761 -15.374 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.883 -4.357 -17.686 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.167 -4.751 -17.539 1.00 0.00 H new ATOM 952 N GLY A 59 7.979 0.292 -18.000 1.00 0.00 N ATOM 953 CA GLY A 59 8.907 0.777 -19.005 1.00 0.00 C ATOM 954 C GLY A 59 10.063 -0.177 -19.235 1.00 0.00 C ATOM 955 O GLY A 59 10.178 -1.199 -18.559 1.00 0.00 O ATOM 0 H GLY A 59 8.351 -0.434 -17.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.374 0.930 -19.943 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.296 1.747 -18.697 1.00 0.00 H new ATOM 959 N PHE A 60 10.921 0.157 -20.193 1.00 0.00 N ATOM 960 CA PHE A 60 12.073 -0.679 -20.513 1.00 0.00 C ATOM 961 C PHE A 60 13.377 0.060 -20.228 1.00 0.00 C ATOM 962 O PHE A 60 13.472 1.273 -20.419 1.00 0.00 O ATOM 963 CB PHE A 60 12.027 -1.108 -21.981 1.00 0.00 C ATOM 964 CG PHE A 60 10.954 -2.116 -22.278 1.00 0.00 C ATOM 965 CD1 PHE A 60 11.101 -3.438 -21.889 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.799 -1.742 -22.945 1.00 0.00 C ATOM 967 CE1 PHE A 60 10.115 -4.368 -22.161 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.810 -2.668 -23.220 1.00 0.00 C ATOM 969 CZ PHE A 60 8.968 -3.982 -22.827 1.00 0.00 C ATOM 0 H PHE A 60 10.841 1.000 -20.761 1.00 0.00 H new ATOM 0 HA PHE A 60 12.033 -1.566 -19.881 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.869 -0.227 -22.604 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.994 -1.526 -22.259 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.996 -3.745 -21.368 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.670 -0.715 -23.254 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.241 -5.395 -21.853 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.915 -2.364 -23.742 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.196 -4.707 -23.040 1.00 0.00 H new ATOM 979 N VAL A 61 14.381 -0.680 -19.768 1.00 0.00 N ATOM 980 CA VAL A 61 15.681 -0.096 -19.456 1.00 0.00 C ATOM 981 C VAL A 61 16.815 -0.976 -19.969 1.00 0.00 C ATOM 982 O VAL A 61 16.677 -2.191 -20.110 1.00 0.00 O ATOM 983 CB VAL A 61 15.853 0.112 -17.940 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.873 1.158 -17.430 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.675 -1.204 -17.198 1.00 0.00 C ATOM 0 H VAL A 61 14.319 -1.685 -19.603 1.00 0.00 H new ATOM 0 HA VAL A 61 15.722 0.872 -19.955 1.00 0.00 H new ATOM 0 HB VAL A 61 16.864 0.474 -17.753 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.009 1.292 -16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.053 2.105 -17.939 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.853 0.828 -17.628 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.800 -1.038 -16.128 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.677 -1.598 -17.390 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.420 -1.920 -17.544 1.00 0.00 H new ATOM 995 N PRO A 62 17.966 -0.349 -20.256 1.00 0.00 N ATOM 996 CA PRO A 62 19.148 -1.056 -20.758 1.00 0.00 C ATOM 997 C PRO A 62 19.785 -1.947 -19.696 1.00 0.00 C ATOM 998 O PRO A 62 20.291 -1.460 -18.686 1.00 0.00 O ATOM 999 CB PRO A 62 20.101 0.078 -21.145 1.00 0.00 C ATOM 1000 CG PRO A 62 19.689 1.228 -20.292 1.00 0.00 C ATOM 1001 CD PRO A 62 18.201 1.097 -20.113 1.00 0.00 C ATOM 0 HA PRO A 62 18.903 -1.726 -21.582 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.139 -0.198 -20.962 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.017 0.321 -22.204 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.202 1.204 -19.330 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.943 2.176 -20.765 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.880 1.462 -19.137 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.654 1.669 -20.863 1.00 0.00 H new ATOM 1009 N ALA A 63 19.755 -3.254 -19.933 1.00 0.00 N ATOM 1010 CA ALA A 63 20.331 -4.213 -18.998 1.00 0.00 C ATOM 1011 C ALA A 63 21.838 -4.021 -18.875 1.00 0.00 C ATOM 1012 O ALA A 63 22.470 -4.562 -17.967 1.00 0.00 O ATOM 1013 CB ALA A 63 20.012 -5.635 -19.437 1.00 0.00 C ATOM 0 H ALA A 63 19.338 -3.673 -20.764 1.00 0.00 H new ATOM 0 HA ALA A 63 19.887 -4.039 -18.018 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.448 -6.341 -18.730 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.931 -5.773 -19.467 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.428 -5.812 -20.429 1.00 0.00 H new ATOM 1019 N ALA A 64 22.409 -3.249 -19.793 1.00 0.00 N ATOM 1020 CA ALA A 64 23.843 -2.986 -19.786 1.00 0.00 C ATOM 1021 C ALA A 64 24.198 -1.909 -18.766 1.00 0.00 C ATOM 1022 O ALA A 64 25.344 -1.810 -18.327 1.00 0.00 O ATOM 1023 CB ALA A 64 24.311 -2.575 -21.174 1.00 0.00 C ATOM 0 H ALA A 64 21.901 -2.794 -20.551 1.00 0.00 H new ATOM 0 HA ALA A 64 24.355 -3.905 -19.499 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.384 -2.382 -21.154 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.100 -3.377 -21.881 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.785 -1.671 -21.483 1.00 0.00 H new ATOM 1029 N TYR A 65 23.209 -1.104 -18.394 1.00 0.00 N ATOM 1030 CA TYR A 65 23.418 -0.032 -17.428 1.00 0.00 C ATOM 1031 C TYR A 65 22.837 -0.405 -16.067 1.00 0.00 C ATOM 1032 O TYR A 65 23.270 0.105 -15.034 1.00 0.00 O ATOM 1033 CB TYR A 65 22.782 1.265 -17.929 1.00 0.00 C ATOM 1034 CG TYR A 65 23.329 1.734 -19.258 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.593 1.349 -19.686 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.581 2.563 -20.086 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.098 1.775 -20.899 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.077 2.993 -21.302 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.336 2.597 -21.704 1.00 0.00 C ATOM 1040 OH TYR A 65 24.834 3.024 -22.913 1.00 0.00 O ATOM 0 H TYR A 65 22.254 -1.174 -18.747 1.00 0.00 H new ATOM 0 HA TYR A 65 24.492 0.118 -17.316 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.705 1.120 -18.019 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.937 2.047 -17.185 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.192 0.705 -19.059 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.596 2.876 -19.774 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.083 1.467 -21.216 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.482 3.636 -21.934 1.00 0.00 H new ATOM 0 HH TYR A 65 24.172 3.595 -23.356 1.00 0.00 H new ATOM 1050 N VAL A 66 21.852 -1.298 -16.076 1.00 0.00 N ATOM 1051 CA VAL A 66 21.211 -1.741 -14.843 1.00 0.00 C ATOM 1052 C VAL A 66 21.457 -3.226 -14.599 1.00 0.00 C ATOM 1053 O VAL A 66 21.582 -4.009 -15.541 1.00 0.00 O ATOM 1054 CB VAL A 66 19.693 -1.482 -14.875 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.408 0.010 -14.953 1.00 0.00 C ATOM 1056 CG2 VAL A 66 19.052 -2.218 -16.042 1.00 0.00 C ATOM 0 H VAL A 66 21.481 -1.729 -16.923 1.00 0.00 H new ATOM 0 HA VAL A 66 21.653 -1.164 -14.031 1.00 0.00 H new ATOM 0 HB VAL A 66 19.257 -1.863 -13.952 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.331 0.174 -14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.833 0.508 -14.081 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.856 0.419 -15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.979 -2.024 -16.050 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.490 -1.869 -16.977 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.226 -3.289 -15.937 1.00 0.00 H new ATOM 1066 N LYS A 67 21.526 -3.607 -13.329 1.00 0.00 N ATOM 1067 CA LYS A 67 21.756 -4.999 -12.958 1.00 0.00 C ATOM 1068 C LYS A 67 20.868 -5.403 -11.786 1.00 0.00 C ATOM 1069 O LYS A 67 20.781 -4.691 -10.785 1.00 0.00 O ATOM 1070 CB LYS A 67 23.227 -5.216 -12.597 1.00 0.00 C ATOM 1071 CG LYS A 67 23.520 -6.601 -12.048 1.00 0.00 C ATOM 1072 CD LYS A 67 24.985 -6.755 -11.675 1.00 0.00 C ATOM 1073 CE LYS A 67 25.801 -7.304 -12.835 1.00 0.00 C ATOM 1074 NZ LYS A 67 25.475 -8.730 -13.116 1.00 0.00 N ATOM 0 H LYS A 67 21.426 -2.971 -12.538 1.00 0.00 H new ATOM 0 HA LYS A 67 21.503 -5.624 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.839 -5.049 -13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.525 -4.471 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.899 -6.784 -11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.252 -7.352 -12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.388 -5.789 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.075 -7.422 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.613 -6.706 -13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 67 26.863 -7.212 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 26.259 -9.169 -13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.332 -9.237 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.606 -8.782 -13.685 1.00 0.00 H new ATOM 1088 N LYS A 68 20.211 -6.551 -11.915 1.00 0.00 N ATOM 1089 CA LYS A 68 19.332 -7.053 -10.865 1.00 0.00 C ATOM 1090 C LYS A 68 20.106 -7.280 -9.570 1.00 0.00 C ATOM 1091 O LYS A 68 21.278 -7.657 -9.593 1.00 0.00 O ATOM 1092 CB LYS A 68 18.667 -8.357 -11.309 1.00 0.00 C ATOM 1093 CG LYS A 68 17.346 -8.634 -10.611 1.00 0.00 C ATOM 1094 CD LYS A 68 16.914 -10.080 -10.789 1.00 0.00 C ATOM 1095 CE LYS A 68 16.221 -10.294 -12.126 1.00 0.00 C ATOM 1096 NZ LYS A 68 14.738 -10.270 -11.993 1.00 0.00 N ATOM 0 H LYS A 68 20.271 -7.152 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 68 18.562 -6.304 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.499 -8.321 -12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.349 -9.186 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.441 -8.410 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.577 -7.972 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.785 -10.732 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.241 -10.362 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.535 -9.520 -12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.532 -11.250 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.306 -10.215 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.418 -11.137 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.453 -9.441 -11.433 1.00 0.00 H new ATOM 1110 N LEU A 69 19.443 -7.049 -8.442 1.00 0.00 N ATOM 1111 CA LEU A 69 20.068 -7.230 -7.137 1.00 0.00 C ATOM 1112 C LEU A 69 19.688 -8.578 -6.533 1.00 0.00 C ATOM 1113 O LEU A 69 19.690 -8.747 -5.314 1.00 0.00 O ATOM 1114 CB LEU A 69 19.655 -6.101 -6.191 1.00 0.00 C ATOM 1115 CG LEU A 69 19.680 -4.689 -6.779 1.00 0.00 C ATOM 1116 CD1 LEU A 69 18.294 -4.065 -6.728 1.00 0.00 C ATOM 1117 CD2 LEU A 69 20.686 -3.821 -6.038 1.00 0.00 C ATOM 0 H LEU A 69 18.473 -6.736 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 69 21.149 -7.205 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.646 -6.306 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.313 -6.123 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 69 19.987 -4.756 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.331 -3.061 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 69 17.599 -4.676 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.957 -4.011 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 69 20.691 -2.820 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 69 20.409 -3.761 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.680 -4.259 -6.127 1.00 0.00 H new ATOM 1129 N ASP A 70 19.365 -9.536 -7.395 1.00 0.00 N ATOM 1130 CA ASP A 70 18.987 -10.871 -6.948 1.00 0.00 C ATOM 1131 C ASP A 70 20.059 -11.465 -6.040 1.00 0.00 C ATOM 1132 O ASP A 70 21.236 -11.509 -6.400 1.00 0.00 O ATOM 1133 CB ASP A 70 18.754 -11.788 -8.150 1.00 0.00 C ATOM 1134 CG ASP A 70 20.002 -11.968 -8.991 1.00 0.00 C ATOM 1135 OD1 ASP A 70 20.377 -11.015 -9.706 1.00 0.00 O ATOM 1136 OD2 ASP A 70 20.603 -13.061 -8.936 1.00 0.00 O ATOM 0 H ASP A 70 19.357 -9.413 -8.407 1.00 0.00 H new ATOM 0 HA ASP A 70 18.061 -10.787 -6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 70 18.412 -12.762 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.958 -11.375 -8.770 1.00 0.00 H new TER 1141 ASP A 70