USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0716 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 78:sc= 1.16 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 33 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.002) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -34:sc= 0.783 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -90:sc= 0.741 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.080 -6.005 -5.620 1.00 0.00 N ATOM 2 CA MET A 1 20.649 -6.407 -5.635 1.00 52.30 C ATOM 3 C MET A 1 19.814 -5.439 -6.466 1.00 2.30 C ATOM 4 O MET A 1 20.340 -4.490 -7.046 1.00 30.10 O ATOM 5 CB MET A 1 20.138 -6.443 -4.194 1.00 34.40 C ATOM 6 CG MET A 1 19.104 -7.529 -3.942 1.00 74.10 C ATOM 7 SD MET A 1 17.617 -6.904 -3.134 1.00 32.30 S ATOM 8 CE MET A 1 16.965 -8.409 -2.413 1.00 71.20 C ATOM 0 H1 MET A 1 22.674 -6.828 -5.846 1.00 0.00 H new ATOM 0 H2 MET A 1 22.239 -5.259 -6.327 1.00 0.00 H new ATOM 0 H3 MET A 1 22.330 -5.646 -4.676 1.00 0.00 H new ATOM 0 HA MET A 1 20.559 -7.393 -6.091 1.00 52.30 H new ATOM 0 HB2 MET A 1 20.982 -6.594 -3.522 1.00 34.40 H new ATOM 0 HB3 MET A 1 19.703 -5.474 -3.947 1.00 34.40 H new ATOM 0 HG2 MET A 1 18.830 -7.991 -4.891 1.00 74.10 H new ATOM 0 HG3 MET A 1 19.547 -8.310 -3.324 1.00 74.10 H new ATOM 0 HE1 MET A 1 16.042 -8.186 -1.878 1.00 71.20 H new ATOM 0 HE2 MET A 1 16.761 -9.132 -3.203 1.00 71.20 H new ATOM 0 HE3 MET A 1 17.695 -8.826 -1.719 1.00 71.20 H new ATOM 20 N THR A 2 18.509 -5.686 -6.518 1.00 2.45 N ATOM 21 CA THR A 2 17.600 -4.835 -7.278 1.00 0.13 C ATOM 22 C THR A 2 16.295 -4.617 -6.517 1.00 44.40 C ATOM 23 O THR A 2 16.018 -5.299 -5.531 1.00 63.50 O ATOM 24 CB THR A 2 17.309 -5.457 -8.645 1.00 40.30 C ATOM 25 OG1 THR A 2 16.956 -6.822 -8.511 1.00 41.20 O ATOM 26 CG2 THR A 2 18.480 -5.379 -9.599 1.00 14.30 C ATOM 0 H THR A 2 18.057 -6.468 -6.043 1.00 2.45 H new ATOM 0 HA THR A 2 18.082 -3.868 -7.422 1.00 0.13 H new ATOM 0 HB THR A 2 16.485 -4.874 -9.057 1.00 40.30 H new ATOM 0 HG1 THR A 2 16.772 -7.201 -9.396 1.00 41.20 H new ATOM 0 HG21 THR A 2 18.206 -5.838 -10.549 1.00 14.30 H new ATOM 0 HG22 THR A 2 18.746 -4.335 -9.764 1.00 14.30 H new ATOM 0 HG23 THR A 2 19.332 -5.908 -9.173 1.00 14.30 H new ATOM 34 N THR A 3 15.499 -3.661 -6.983 1.00 30.40 N ATOM 35 CA THR A 3 14.224 -3.351 -6.346 1.00 41.20 C ATOM 36 C THR A 3 13.129 -4.295 -6.831 1.00 1.51 C ATOM 37 O THR A 3 12.617 -4.149 -7.942 1.00 4.44 O ATOM 38 CB THR A 3 13.827 -1.902 -6.631 1.00 74.40 C ATOM 39 OG1 THR A 3 14.846 -1.011 -6.215 1.00 51.10 O ATOM 40 CG2 THR A 3 12.544 -1.487 -5.942 1.00 24.10 C ATOM 0 H THR A 3 15.714 -3.088 -7.799 1.00 30.40 H new ATOM 0 HA THR A 3 14.342 -3.484 -5.271 1.00 41.20 H new ATOM 0 HB THR A 3 13.675 -1.851 -7.709 1.00 74.40 H new ATOM 0 HG1 THR A 3 14.574 -0.090 -6.408 1.00 51.10 H new ATOM 0 HG21 THR A 3 12.320 -0.449 -6.186 1.00 24.10 H new ATOM 0 HG22 THR A 3 11.727 -2.124 -6.280 1.00 24.10 H new ATOM 0 HG23 THR A 3 12.661 -1.589 -4.863 1.00 24.10 H new ATOM 48 N SER A 4 12.774 -5.263 -5.993 1.00 43.20 N ATOM 49 CA SER A 4 11.738 -6.231 -6.337 1.00 21.40 C ATOM 50 C SER A 4 10.353 -5.679 -6.016 1.00 70.50 C ATOM 51 O SER A 4 10.217 -4.553 -5.539 1.00 65.10 O ATOM 52 CB SER A 4 11.968 -7.544 -5.584 1.00 41.00 C ATOM 53 OG SER A 4 12.543 -8.523 -6.431 1.00 53.40 O ATOM 0 H SER A 4 13.188 -5.398 -5.071 1.00 43.20 H new ATOM 0 HA SER A 4 11.793 -6.423 -7.409 1.00 21.40 H new ATOM 0 HB2 SER A 4 12.622 -7.368 -4.730 1.00 41.00 H new ATOM 0 HB3 SER A 4 11.021 -7.911 -5.189 1.00 41.00 H new ATOM 0 HG SER A 4 12.682 -9.352 -5.926 1.00 53.40 H new ATOM 59 N THR A 5 9.325 -6.480 -6.282 1.00 51.10 N ATOM 60 CA THR A 5 7.951 -6.071 -6.022 1.00 64.20 C ATOM 61 C THR A 5 7.692 -5.938 -4.525 1.00 32.40 C ATOM 62 O THR A 5 6.880 -5.118 -4.096 1.00 51.10 O ATOM 63 CB THR A 5 6.974 -7.079 -6.631 1.00 41.00 C ATOM 64 OG1 THR A 5 7.446 -7.543 -7.882 1.00 73.40 O ATOM 65 CG2 THR A 5 5.586 -6.513 -6.844 1.00 0.53 C ATOM 0 H THR A 5 9.419 -7.416 -6.677 1.00 51.10 H new ATOM 0 HA THR A 5 7.797 -5.096 -6.485 1.00 64.20 H new ATOM 0 HB THR A 5 6.910 -7.892 -5.908 1.00 41.00 H new ATOM 0 HG1 THR A 5 6.808 -8.188 -8.254 1.00 73.40 H new ATOM 0 HG21 THR A 5 4.943 -7.279 -7.278 1.00 0.53 H new ATOM 0 HG22 THR A 5 5.173 -6.192 -5.888 1.00 0.53 H new ATOM 0 HG23 THR A 5 5.641 -5.660 -7.520 1.00 0.53 H new ATOM 73 N LEU A 6 8.387 -6.748 -3.733 1.00 2.34 N ATOM 74 CA LEU A 6 8.229 -6.719 -2.284 1.00 33.40 C ATOM 75 C LEU A 6 8.829 -5.445 -1.695 1.00 42.20 C ATOM 76 O LEU A 6 8.185 -4.754 -0.904 1.00 44.10 O ATOM 77 CB LEU A 6 8.885 -7.951 -1.654 1.00 42.20 C ATOM 78 CG LEU A 6 7.919 -8.916 -0.964 1.00 65.10 C ATOM 79 CD1 LEU A 6 7.191 -8.218 0.175 1.00 54.30 C ATOM 80 CD2 LEU A 6 6.924 -9.479 -1.967 1.00 13.10 C ATOM 0 H LEU A 6 9.064 -7.432 -4.070 1.00 2.34 H new ATOM 0 HA LEU A 6 7.163 -6.731 -2.058 1.00 33.40 H new ATOM 0 HB2 LEU A 6 9.424 -8.494 -2.430 1.00 42.20 H new ATOM 0 HB3 LEU A 6 9.624 -7.618 -0.926 1.00 42.20 H new ATOM 0 HG LEU A 6 8.495 -9.743 -0.548 1.00 65.10 H new ATOM 0 HD11 LEU A 6 6.508 -8.919 0.654 1.00 54.30 H new ATOM 0 HD12 LEU A 6 7.917 -7.861 0.906 1.00 54.30 H new ATOM 0 HD13 LEU A 6 6.626 -7.373 -0.218 1.00 54.30 H new ATOM 0 HD21 LEU A 6 6.244 -10.164 -1.460 1.00 13.10 H new ATOM 0 HD22 LEU A 6 6.353 -8.663 -2.411 1.00 13.10 H new ATOM 0 HD23 LEU A 6 7.460 -10.014 -2.750 1.00 13.10 H new ATOM 92 N GLN A 7 10.062 -5.140 -2.084 1.00 2.11 N ATOM 93 CA GLN A 7 10.746 -3.950 -1.592 1.00 34.00 C ATOM 94 C GLN A 7 9.975 -2.686 -1.965 1.00 4.20 C ATOM 95 O GLN A 7 9.976 -1.705 -1.220 1.00 22.10 O ATOM 96 CB GLN A 7 12.165 -3.880 -2.156 1.00 23.30 C ATOM 97 CG GLN A 7 13.185 -3.333 -1.170 1.00 20.40 C ATOM 98 CD GLN A 7 13.643 -4.374 -0.168 1.00 40.20 C ATOM 99 OE1 GLN A 7 14.094 -5.457 -0.542 1.00 61.30 O ATOM 100 NE2 GLN A 7 13.529 -4.052 1.115 1.00 33.20 N ATOM 0 H GLN A 7 10.608 -5.700 -2.738 1.00 2.11 H new ATOM 0 HA GLN A 7 10.798 -4.016 -0.505 1.00 34.00 H new ATOM 0 HB2 GLN A 7 12.473 -4.878 -2.468 1.00 23.30 H new ATOM 0 HB3 GLN A 7 12.162 -3.254 -3.048 1.00 23.30 H new ATOM 0 HG2 GLN A 7 14.049 -2.957 -1.718 1.00 20.40 H new ATOM 0 HG3 GLN A 7 12.752 -2.487 -0.637 1.00 20.40 H new ATOM 0 HE21 GLN A 7 13.150 -3.143 1.381 1.00 33.20 H new ATOM 0 HE22 GLN A 7 13.821 -4.713 1.835 1.00 33.20 H new ATOM 109 N LYS A 8 9.320 -2.717 -3.120 1.00 5.30 N ATOM 110 CA LYS A 8 8.546 -1.573 -3.590 1.00 74.20 C ATOM 111 C LYS A 8 7.306 -1.362 -2.727 1.00 73.30 C ATOM 112 O LYS A 8 6.931 -0.228 -2.429 1.00 73.10 O ATOM 113 CB LYS A 8 8.137 -1.772 -5.050 1.00 41.40 C ATOM 114 CG LYS A 8 9.228 -1.405 -6.044 1.00 51.20 C ATOM 115 CD LYS A 8 8.654 -0.722 -7.275 1.00 21.00 C ATOM 116 CE LYS A 8 9.359 -1.175 -8.543 1.00 15.50 C ATOM 117 NZ LYS A 8 9.554 -0.053 -9.502 1.00 42.40 N ATOM 0 H LYS A 8 9.309 -3.521 -3.748 1.00 5.30 H new ATOM 0 HA LYS A 8 9.175 -0.686 -3.514 1.00 74.20 H new ATOM 0 HB2 LYS A 8 7.856 -2.814 -5.201 1.00 41.40 H new ATOM 0 HB3 LYS A 8 7.252 -1.170 -5.256 1.00 41.40 H new ATOM 0 HG2 LYS A 8 9.951 -0.745 -5.565 1.00 51.20 H new ATOM 0 HG3 LYS A 8 9.766 -2.304 -6.343 1.00 51.20 H new ATOM 0 HD2 LYS A 8 7.589 -0.942 -7.351 1.00 21.00 H new ATOM 0 HD3 LYS A 8 8.750 0.359 -7.171 1.00 21.00 H new ATOM 0 HE2 LYS A 8 10.327 -1.605 -8.286 1.00 15.50 H new ATOM 0 HE3 LYS A 8 8.777 -1.963 -9.020 1.00 15.50 H new ATOM 0 HZ1 LYS A 8 10.038 -0.404 -10.353 1.00 42.40 H new ATOM 0 HZ2 LYS A 8 8.629 0.341 -9.768 1.00 42.40 H new ATOM 0 HZ3 LYS A 8 10.131 0.688 -9.056 1.00 42.40 H new ATOM 131 N ALA A 9 6.673 -2.461 -2.331 1.00 54.30 N ATOM 132 CA ALA A 9 5.475 -2.396 -1.504 1.00 23.10 C ATOM 133 C ALA A 9 5.798 -1.891 -0.102 1.00 13.40 C ATOM 134 O ALA A 9 5.017 -1.154 0.499 1.00 51.00 O ATOM 135 CB ALA A 9 4.809 -3.762 -1.433 1.00 42.30 C ATOM 0 H ALA A 9 6.970 -3.407 -2.570 1.00 54.30 H new ATOM 0 HA ALA A 9 4.785 -1.689 -1.965 1.00 23.10 H new ATOM 0 HB1 ALA A 9 3.915 -3.699 -0.812 1.00 42.30 H new ATOM 0 HB2 ALA A 9 4.532 -4.084 -2.437 1.00 42.30 H new ATOM 0 HB3 ALA A 9 5.502 -4.483 -0.999 1.00 42.30 H new ATOM 141 N ILE A 10 6.955 -2.292 0.414 1.00 50.20 N ATOM 142 CA ILE A 10 7.381 -1.881 1.747 1.00 71.40 C ATOM 143 C ILE A 10 7.802 -0.415 1.762 1.00 34.50 C ATOM 144 O ILE A 10 7.646 0.275 2.770 1.00 61.10 O ATOM 145 CB ILE A 10 8.552 -2.745 2.256 1.00 31.20 C ATOM 146 CG1 ILE A 10 8.223 -4.231 2.109 1.00 31.20 C ATOM 147 CG2 ILE A 10 8.868 -2.410 3.707 1.00 74.10 C ATOM 148 CD1 ILE A 10 9.447 -5.113 1.991 1.00 52.10 C ATOM 0 H ILE A 10 7.614 -2.901 -0.070 1.00 50.20 H new ATOM 0 HA ILE A 10 6.525 -2.018 2.408 1.00 71.40 H new ATOM 0 HB ILE A 10 9.432 -2.525 1.652 1.00 31.20 H new ATOM 0 HG12 ILE A 10 7.636 -4.552 2.970 1.00 31.20 H new ATOM 0 HG13 ILE A 10 7.598 -4.371 1.227 1.00 31.20 H new ATOM 0 HG21 ILE A 10 9.697 -3.029 4.051 1.00 74.10 H new ATOM 0 HG22 ILE A 10 9.143 -1.358 3.786 1.00 74.10 H new ATOM 0 HG23 ILE A 10 7.991 -2.603 4.324 1.00 74.10 H new ATOM 0 HD11 ILE A 10 9.138 -6.153 1.890 1.00 52.10 H new ATOM 0 HD12 ILE A 10 10.024 -4.819 1.114 1.00 52.10 H new ATOM 0 HD13 ILE A 10 10.062 -5.003 2.884 1.00 52.10 H new ATOM 160 N ASP A 11 8.337 0.055 0.641 1.00 22.50 N ATOM 161 CA ASP A 11 8.782 1.439 0.527 1.00 55.30 C ATOM 162 C ASP A 11 7.603 2.372 0.264 1.00 31.20 C ATOM 163 O ASP A 11 7.618 3.536 0.667 1.00 32.30 O ATOM 164 CB ASP A 11 9.816 1.574 -0.594 1.00 63.10 C ATOM 165 CG ASP A 11 11.219 1.794 -0.063 1.00 32.40 C ATOM 166 OD1 ASP A 11 11.885 0.797 0.288 1.00 75.20 O ATOM 167 OD2 ASP A 11 11.651 2.965 0.004 1.00 70.20 O ATOM 0 H ASP A 11 8.473 -0.502 -0.202 1.00 22.50 H new ATOM 0 HA ASP A 11 9.242 1.725 1.473 1.00 55.30 H new ATOM 0 HB2 ASP A 11 9.800 0.674 -1.209 1.00 63.10 H new ATOM 0 HB3 ASP A 11 9.540 2.407 -1.240 1.00 63.10 H new ATOM 172 N LEU A 12 6.583 1.855 -0.414 1.00 22.00 N ATOM 173 CA LEU A 12 5.398 2.643 -0.730 1.00 65.50 C ATOM 174 C LEU A 12 4.580 2.927 0.526 1.00 34.10 C ATOM 175 O LEU A 12 4.137 4.054 0.747 1.00 25.40 O ATOM 176 CB LEU A 12 4.536 1.911 -1.762 1.00 2.20 C ATOM 177 CG LEU A 12 4.762 2.339 -3.213 1.00 2.43 C ATOM 178 CD1 LEU A 12 4.338 3.786 -3.414 1.00 43.20 C ATOM 179 CD2 LEU A 12 6.220 2.149 -3.604 1.00 42.30 C ATOM 0 H LEU A 12 6.554 0.894 -0.755 1.00 22.00 H new ATOM 0 HA LEU A 12 5.725 3.595 -1.148 1.00 65.50 H new ATOM 0 HB2 LEU A 12 4.728 0.841 -1.680 1.00 2.20 H new ATOM 0 HB3 LEU A 12 3.486 2.066 -1.512 1.00 2.20 H new ATOM 0 HG LEU A 12 4.149 1.709 -3.858 1.00 2.43 H new ATOM 0 HD11 LEU A 12 4.506 4.073 -4.452 1.00 43.20 H new ATOM 0 HD12 LEU A 12 3.280 3.892 -3.175 1.00 43.20 H new ATOM 0 HD13 LEU A 12 4.924 4.431 -2.760 1.00 43.20 H new ATOM 0 HD21 LEU A 12 6.362 2.459 -4.639 1.00 42.30 H new ATOM 0 HD22 LEU A 12 6.853 2.754 -2.954 1.00 42.30 H new ATOM 0 HD23 LEU A 12 6.491 1.098 -3.499 1.00 42.30 H new ATOM 191 N VAL A 13 4.382 1.899 1.344 1.00 61.30 N ATOM 192 CA VAL A 13 3.616 2.040 2.576 1.00 14.10 C ATOM 193 C VAL A 13 4.316 2.971 3.561 1.00 30.00 C ATOM 194 O VAL A 13 3.670 3.629 4.375 1.00 32.40 O ATOM 195 CB VAL A 13 3.386 0.676 3.255 1.00 1.14 C ATOM 196 CG1 VAL A 13 2.439 -0.181 2.429 1.00 12.50 C ATOM 197 CG2 VAL A 13 4.710 -0.042 3.475 1.00 54.10 C ATOM 0 H VAL A 13 4.741 0.959 1.176 1.00 61.30 H new ATOM 0 HA VAL A 13 2.653 2.468 2.298 1.00 14.10 H new ATOM 0 HB VAL A 13 2.926 0.850 4.228 1.00 1.14 H new ATOM 0 HG11 VAL A 13 2.289 -1.140 2.925 1.00 12.50 H new ATOM 0 HG12 VAL A 13 1.481 0.329 2.328 1.00 12.50 H new ATOM 0 HG13 VAL A 13 2.867 -0.347 1.440 1.00 12.50 H new ATOM 0 HG21 VAL A 13 4.527 -1.003 3.955 1.00 54.10 H new ATOM 0 HG22 VAL A 13 5.200 -0.204 2.515 1.00 54.10 H new ATOM 0 HG23 VAL A 13 5.352 0.566 4.112 1.00 54.10 H new ATOM 207 N THR A 14 5.643 3.021 3.481 1.00 14.30 N ATOM 208 CA THR A 14 6.429 3.873 4.366 1.00 31.50 C ATOM 209 C THR A 14 6.325 5.337 3.950 1.00 43.30 C ATOM 210 O THR A 14 6.342 6.235 4.791 1.00 22.40 O ATOM 211 CB THR A 14 7.894 3.432 4.364 1.00 51.20 C ATOM 212 OG1 THR A 14 7.995 2.027 4.513 1.00 0.43 O ATOM 213 CG2 THR A 14 8.713 4.071 5.464 1.00 64.10 C ATOM 0 H THR A 14 6.195 2.482 2.813 1.00 14.30 H new ATOM 0 HA THR A 14 6.028 3.773 5.375 1.00 31.50 H new ATOM 0 HB THR A 14 8.292 3.756 3.402 1.00 51.20 H new ATOM 0 HG1 THR A 14 7.802 1.592 3.656 1.00 0.43 H new ATOM 0 HG21 THR A 14 9.742 3.715 5.405 1.00 64.10 H new ATOM 0 HG22 THR A 14 8.697 5.155 5.347 1.00 64.10 H new ATOM 0 HG23 THR A 14 8.292 3.804 6.433 1.00 64.10 H new ATOM 221 N LYS A 15 6.216 5.569 2.646 1.00 42.10 N ATOM 222 CA LYS A 15 6.110 6.923 2.117 1.00 31.10 C ATOM 223 C LYS A 15 4.733 7.516 2.405 1.00 35.50 C ATOM 224 O LYS A 15 4.588 8.729 2.556 1.00 31.50 O ATOM 225 CB LYS A 15 6.376 6.927 0.610 1.00 43.20 C ATOM 226 CG LYS A 15 7.350 8.007 0.167 1.00 1.03 C ATOM 227 CD LYS A 15 8.243 7.523 -0.965 1.00 52.40 C ATOM 228 CE LYS A 15 9.675 8.005 -0.793 1.00 75.10 C ATOM 229 NZ LYS A 15 10.654 6.888 -0.899 1.00 0.51 N ATOM 0 H LYS A 15 6.199 4.836 1.936 1.00 42.10 H new ATOM 0 HA LYS A 15 6.860 7.539 2.613 1.00 31.10 H new ATOM 0 HB2 LYS A 15 6.768 5.953 0.316 1.00 43.20 H new ATOM 0 HB3 LYS A 15 5.432 7.063 0.083 1.00 43.20 H new ATOM 0 HG2 LYS A 15 6.795 8.888 -0.157 1.00 1.03 H new ATOM 0 HG3 LYS A 15 7.966 8.312 1.013 1.00 1.03 H new ATOM 0 HD2 LYS A 15 8.227 6.434 -1.002 1.00 52.40 H new ATOM 0 HD3 LYS A 15 7.850 7.880 -1.917 1.00 52.40 H new ATOM 0 HE2 LYS A 15 9.898 8.756 -1.550 1.00 75.10 H new ATOM 0 HE3 LYS A 15 9.781 8.489 0.178 1.00 75.10 H new ATOM 0 HZ1 LYS A 15 11.618 7.258 -0.776 1.00 0.51 H new ATOM 0 HZ2 LYS A 15 10.457 6.183 -0.160 1.00 0.51 H new ATOM 0 HZ3 LYS A 15 10.571 6.442 -1.835 1.00 0.51 H new ATOM 243 N ALA A 16 3.725 6.652 2.479 1.00 4.44 N ATOM 244 CA ALA A 16 2.360 7.091 2.747 1.00 2.03 C ATOM 245 C ALA A 16 2.175 7.454 4.216 1.00 2.01 C ATOM 246 O ALA A 16 1.610 8.499 4.540 1.00 32.10 O ATOM 247 CB ALA A 16 1.372 6.008 2.341 1.00 63.00 C ATOM 0 H ALA A 16 3.828 5.645 2.357 1.00 4.44 H new ATOM 0 HA ALA A 16 2.170 7.986 2.155 1.00 2.03 H new ATOM 0 HB1 ALA A 16 0.356 6.347 2.546 1.00 63.00 H new ATOM 0 HB2 ALA A 16 1.478 5.800 1.276 1.00 63.00 H new ATOM 0 HB3 ALA A 16 1.573 5.100 2.910 1.00 63.00 H new ATOM 253 N THR A 17 2.652 6.585 5.102 1.00 55.30 N ATOM 254 CA THR A 17 2.536 6.815 6.538 1.00 11.50 C ATOM 255 C THR A 17 3.197 8.131 6.937 1.00 52.10 C ATOM 256 O THR A 17 2.621 8.926 7.681 1.00 14.00 O ATOM 257 CB THR A 17 3.167 5.658 7.314 1.00 72.00 C ATOM 258 OG1 THR A 17 3.136 5.913 8.707 1.00 53.40 O ATOM 259 CG2 THR A 17 4.607 5.394 6.929 1.00 11.30 C ATOM 0 H THR A 17 3.122 5.715 4.851 1.00 55.30 H new ATOM 0 HA THR A 17 1.476 6.874 6.785 1.00 11.50 H new ATOM 0 HB THR A 17 2.572 4.781 7.059 1.00 72.00 H new ATOM 0 HG1 THR A 17 3.543 5.161 9.186 1.00 53.40 H new ATOM 0 HG21 THR A 17 4.994 4.561 7.517 1.00 11.30 H new ATOM 0 HG22 THR A 17 4.661 5.146 5.869 1.00 11.30 H new ATOM 0 HG23 THR A 17 5.205 6.284 7.124 1.00 11.30 H new ATOM 267 N GLU A 18 4.408 8.355 6.439 1.00 14.40 N ATOM 268 CA GLU A 18 5.146 9.575 6.745 1.00 63.10 C ATOM 269 C GLU A 18 4.452 10.796 6.148 1.00 14.30 C ATOM 270 O GLU A 18 4.342 11.837 6.795 1.00 0.55 O ATOM 271 CB GLU A 18 6.577 9.477 6.213 1.00 41.40 C ATOM 272 CG GLU A 18 6.655 9.303 4.706 1.00 24.10 C ATOM 273 CD GLU A 18 8.060 8.996 4.228 1.00 54.40 C ATOM 274 OE1 GLU A 18 8.747 8.185 4.884 1.00 35.20 O ATOM 275 OE2 GLU A 18 8.475 9.567 3.196 1.00 32.20 O ATOM 0 H GLU A 18 4.899 7.708 5.822 1.00 14.40 H new ATOM 0 HA GLU A 18 5.175 9.690 7.829 1.00 63.10 H new ATOM 0 HB2 GLU A 18 7.123 10.377 6.495 1.00 41.40 H new ATOM 0 HB3 GLU A 18 7.078 8.637 6.694 1.00 41.40 H new ATOM 0 HG2 GLU A 18 5.987 8.497 4.402 1.00 24.10 H new ATOM 0 HG3 GLU A 18 6.300 10.212 4.220 1.00 24.10 H new ATOM 282 N GLU A 19 3.986 10.660 4.911 1.00 35.20 N ATOM 283 CA GLU A 19 3.303 11.751 4.227 1.00 10.50 C ATOM 284 C GLU A 19 2.026 12.141 4.967 1.00 12.50 C ATOM 285 O GLU A 19 1.722 13.325 5.119 1.00 4.12 O ATOM 286 CB GLU A 19 2.970 11.351 2.789 1.00 31.30 C ATOM 287 CG GLU A 19 4.145 11.489 1.834 1.00 54.10 C ATOM 288 CD GLU A 19 4.450 12.934 1.490 1.00 41.20 C ATOM 289 OE1 GLU A 19 4.752 13.714 2.417 1.00 60.30 O ATOM 290 OE2 GLU A 19 4.389 13.284 0.292 1.00 53.20 O ATOM 0 H GLU A 19 4.069 9.804 4.362 1.00 35.20 H new ATOM 0 HA GLU A 19 3.971 12.612 4.211 1.00 10.50 H new ATOM 0 HB2 GLU A 19 2.623 10.318 2.779 1.00 31.30 H new ATOM 0 HB3 GLU A 19 2.146 11.968 2.430 1.00 31.30 H new ATOM 0 HG2 GLU A 19 5.028 11.032 2.281 1.00 54.10 H new ATOM 0 HG3 GLU A 19 3.930 10.939 0.918 1.00 54.10 H new ATOM 297 N ASP A 20 1.282 11.139 5.424 1.00 14.50 N ATOM 298 CA ASP A 20 0.037 11.377 6.149 1.00 14.40 C ATOM 299 C ASP A 20 0.264 12.315 7.331 1.00 24.30 C ATOM 300 O ASP A 20 -0.611 13.106 7.685 1.00 72.30 O ATOM 301 CB ASP A 20 -0.552 10.053 6.639 1.00 71.00 C ATOM 302 CG ASP A 20 -1.993 10.195 7.091 1.00 63.30 C ATOM 303 OD1 ASP A 20 -2.846 10.550 6.251 1.00 50.20 O ATOM 304 OD2 ASP A 20 -2.267 9.949 8.284 1.00 75.40 O ATOM 0 H ASP A 20 1.519 10.154 5.306 1.00 14.50 H new ATOM 0 HA ASP A 20 -0.668 11.850 5.465 1.00 14.40 H new ATOM 0 HB2 ASP A 20 -0.496 9.315 5.839 1.00 71.00 H new ATOM 0 HB3 ASP A 20 0.050 9.674 7.465 1.00 71.00 H new ATOM 309 N LYS A 21 1.444 12.223 7.934 1.00 23.50 N ATOM 310 CA LYS A 21 1.787 13.065 9.075 1.00 44.30 C ATOM 311 C LYS A 21 2.098 14.492 8.629 1.00 13.50 C ATOM 312 O LYS A 21 1.994 15.432 9.416 1.00 2.45 O ATOM 313 CB LYS A 21 2.985 12.478 9.824 1.00 1.23 C ATOM 314 CG LYS A 21 2.594 11.603 11.005 1.00 14.10 C ATOM 315 CD LYS A 21 3.129 10.187 10.856 1.00 12.40 C ATOM 316 CE LYS A 21 2.483 9.239 11.853 1.00 24.40 C ATOM 317 NZ LYS A 21 3.315 9.067 13.076 1.00 21.00 N ATOM 0 H LYS A 21 2.179 11.574 7.652 1.00 23.50 H new ATOM 0 HA LYS A 21 0.927 13.095 9.744 1.00 44.30 H new ATOM 0 HB2 LYS A 21 3.585 11.890 9.129 1.00 1.23 H new ATOM 0 HB3 LYS A 21 3.616 13.293 10.179 1.00 1.23 H new ATOM 0 HG2 LYS A 21 2.977 12.042 11.926 1.00 14.10 H new ATOM 0 HG3 LYS A 21 1.508 11.575 11.093 1.00 14.10 H new ATOM 0 HD2 LYS A 21 2.944 9.832 9.842 1.00 12.40 H new ATOM 0 HD3 LYS A 21 4.209 10.188 11.001 1.00 12.40 H new ATOM 0 HE2 LYS A 21 1.501 9.621 12.133 1.00 24.40 H new ATOM 0 HE3 LYS A 21 2.326 8.269 11.382 1.00 24.40 H new ATOM 0 HZ1 LYS A 21 2.839 8.413 13.730 1.00 21.00 H new ATOM 0 HZ2 LYS A 21 4.243 8.679 12.813 1.00 21.00 H new ATOM 0 HZ3 LYS A 21 3.444 9.989 13.540 1.00 21.00 H new ATOM 331 N ALA A 22 2.482 14.646 7.365 1.00 71.10 N ATOM 332 CA ALA A 22 2.807 15.961 6.821 1.00 14.10 C ATOM 333 C ALA A 22 1.613 16.577 6.098 1.00 53.20 C ATOM 334 O ALA A 22 1.778 17.405 5.202 1.00 64.30 O ATOM 335 CB ALA A 22 3.998 15.859 5.880 1.00 12.30 C ATOM 0 H ALA A 22 2.576 13.879 6.700 1.00 71.10 H new ATOM 0 HA ALA A 22 3.065 16.614 7.655 1.00 14.10 H new ATOM 0 HB1 ALA A 22 4.231 16.846 5.480 1.00 12.30 H new ATOM 0 HB2 ALA A 22 4.860 15.475 6.425 1.00 12.30 H new ATOM 0 HB3 ALA A 22 3.757 15.183 5.060 1.00 12.30 H new ATOM 341 N LYS A 23 0.409 16.171 6.493 1.00 4.11 N ATOM 342 CA LYS A 23 -0.812 16.689 5.882 1.00 64.50 C ATOM 343 C LYS A 23 -0.816 16.450 4.374 1.00 23.50 C ATOM 344 O LYS A 23 -1.264 17.299 3.604 1.00 22.20 O ATOM 345 CB LYS A 23 -0.959 18.183 6.175 1.00 21.20 C ATOM 346 CG LYS A 23 -1.439 18.483 7.586 1.00 22.30 C ATOM 347 CD LYS A 23 -2.680 19.362 7.582 1.00 61.00 C ATOM 348 CE LYS A 23 -3.486 19.198 8.861 1.00 41.50 C ATOM 349 NZ LYS A 23 -3.617 20.483 9.602 1.00 10.20 N ATOM 0 H LYS A 23 0.253 15.486 7.232 1.00 4.11 H new ATOM 0 HA LYS A 23 -1.658 16.155 6.315 1.00 64.50 H new ATOM 0 HB2 LYS A 23 0.002 18.672 6.016 1.00 21.20 H new ATOM 0 HB3 LYS A 23 -1.660 18.617 5.462 1.00 21.20 H new ATOM 0 HG2 LYS A 23 -1.657 17.548 8.103 1.00 22.30 H new ATOM 0 HG3 LYS A 23 -0.644 18.978 8.144 1.00 22.30 H new ATOM 0 HD2 LYS A 23 -2.387 20.406 7.467 1.00 61.00 H new ATOM 0 HD3 LYS A 23 -3.303 19.109 6.724 1.00 61.00 H new ATOM 0 HE2 LYS A 23 -4.478 18.816 8.619 1.00 41.50 H new ATOM 0 HE3 LYS A 23 -3.006 18.457 9.500 1.00 41.50 H new ATOM 0 HZ1 LYS A 23 -4.173 20.330 10.468 1.00 10.20 H new ATOM 0 HZ2 LYS A 23 -2.672 20.836 9.855 1.00 10.20 H new ATOM 0 HZ3 LYS A 23 -4.098 21.183 9.001 1.00 10.20 H new ATOM 363 N ASN A 24 -0.317 15.290 3.962 1.00 44.10 N ATOM 364 CA ASN A 24 -0.266 14.941 2.547 1.00 45.20 C ATOM 365 C ASN A 24 -1.293 13.862 2.216 1.00 4.11 C ATOM 366 O ASN A 24 -0.986 12.885 1.531 1.00 50.50 O ATOM 367 CB ASN A 24 1.137 14.465 2.166 1.00 12.10 C ATOM 368 CG ASN A 24 2.079 15.617 1.874 1.00 35.50 C ATOM 369 OD1 ASN A 24 2.852 16.034 2.736 1.00 23.20 O ATOM 370 ND2 ASN A 24 2.017 16.136 0.654 1.00 44.40 N ATOM 0 H ASN A 24 0.058 14.576 4.587 1.00 44.10 H new ATOM 0 HA ASN A 24 -0.506 15.834 1.969 1.00 45.20 H new ATOM 0 HB2 ASN A 24 1.546 13.862 2.977 1.00 12.10 H new ATOM 0 HB3 ASN A 24 1.073 13.820 1.290 1.00 12.10 H new ATOM 0 HD21 ASN A 24 2.626 16.913 0.399 1.00 44.40 H new ATOM 0 HD22 ASN A 24 1.360 15.758 -0.028 1.00 44.40 H new ATOM 377 N TYR A 25 -2.515 14.046 2.709 1.00 41.40 N ATOM 378 CA TYR A 25 -3.592 13.089 2.471 1.00 53.00 C ATOM 379 C TYR A 25 -3.744 12.792 0.981 1.00 70.30 C ATOM 380 O TYR A 25 -4.143 11.693 0.594 1.00 3.23 O ATOM 381 CB TYR A 25 -4.911 13.627 3.029 1.00 44.20 C ATOM 382 CG TYR A 25 -4.930 13.740 4.538 1.00 54.10 C ATOM 383 CD1 TYR A 25 -4.392 14.850 5.176 1.00 53.10 C ATOM 384 CD2 TYR A 25 -5.485 12.738 5.321 1.00 54.00 C ATOM 385 CE1 TYR A 25 -4.407 14.957 6.554 1.00 74.40 C ATOM 386 CE2 TYR A 25 -5.506 12.838 6.700 1.00 74.30 C ATOM 387 CZ TYR A 25 -4.965 13.949 7.311 1.00 5.04 C ATOM 388 OH TYR A 25 -4.983 14.052 8.683 1.00 52.20 O ATOM 0 H TYR A 25 -2.784 14.850 3.276 1.00 41.40 H new ATOM 0 HA TYR A 25 -3.336 12.161 2.983 1.00 53.00 H new ATOM 0 HB2 TYR A 25 -5.105 14.609 2.597 1.00 44.20 H new ATOM 0 HB3 TYR A 25 -5.723 12.973 2.712 1.00 44.20 H new ATOM 0 HD1 TYR A 25 -3.955 15.642 4.586 1.00 53.10 H new ATOM 0 HD2 TYR A 25 -5.908 11.865 4.845 1.00 54.00 H new ATOM 0 HE1 TYR A 25 -3.984 15.826 7.035 1.00 74.40 H new ATOM 0 HE2 TYR A 25 -5.944 12.050 7.295 1.00 74.30 H new ATOM 0 HH TYR A 25 -5.413 13.258 9.065 1.00 52.20 H new ATOM 398 N GLU A 26 -3.421 13.777 0.149 1.00 2.22 N ATOM 399 CA GLU A 26 -3.520 13.620 -1.297 1.00 20.20 C ATOM 400 C GLU A 26 -2.459 12.653 -1.814 1.00 22.10 C ATOM 401 O GLU A 26 -2.758 11.745 -2.590 1.00 54.10 O ATOM 402 CB GLU A 26 -3.371 14.977 -1.990 1.00 11.30 C ATOM 403 CG GLU A 26 -4.696 15.672 -2.257 1.00 21.40 C ATOM 404 CD GLU A 26 -5.258 15.350 -3.628 1.00 22.30 C ATOM 405 OE1 GLU A 26 -4.504 15.458 -4.618 1.00 10.50 O ATOM 406 OE2 GLU A 26 -6.451 14.990 -3.711 1.00 0.25 O ATOM 0 H GLU A 26 -3.088 14.692 0.452 1.00 2.22 H new ATOM 0 HA GLU A 26 -4.503 13.208 -1.526 1.00 20.20 H new ATOM 0 HB2 GLU A 26 -2.748 15.625 -1.373 1.00 11.30 H new ATOM 0 HB3 GLU A 26 -2.846 14.837 -2.935 1.00 11.30 H new ATOM 0 HG2 GLU A 26 -5.417 15.377 -1.495 1.00 21.40 H new ATOM 0 HG3 GLU A 26 -4.561 16.750 -2.168 1.00 21.40 H new ATOM 413 N GLU A 27 -1.221 12.855 -1.378 1.00 43.30 N ATOM 414 CA GLU A 27 -0.114 12.002 -1.796 1.00 3.33 C ATOM 415 C GLU A 27 -0.199 10.633 -1.128 1.00 31.20 C ATOM 416 O GLU A 27 0.090 9.609 -1.748 1.00 43.20 O ATOM 417 CB GLU A 27 1.224 12.665 -1.458 1.00 4.03 C ATOM 418 CG GLU A 27 2.303 12.419 -2.498 1.00 73.00 C ATOM 419 CD GLU A 27 2.241 13.403 -3.649 1.00 22.30 C ATOM 420 OE1 GLU A 27 1.280 13.327 -4.444 1.00 54.50 O ATOM 421 OE2 GLU A 27 3.153 14.250 -3.757 1.00 41.40 O ATOM 0 H GLU A 27 -0.958 13.602 -0.735 1.00 43.30 H new ATOM 0 HA GLU A 27 -0.182 11.864 -2.875 1.00 3.33 H new ATOM 0 HB2 GLU A 27 1.071 13.739 -1.352 1.00 4.03 H new ATOM 0 HB3 GLU A 27 1.570 12.295 -0.493 1.00 4.03 H new ATOM 0 HG2 GLU A 27 3.282 12.484 -2.022 1.00 73.00 H new ATOM 0 HG3 GLU A 27 2.203 11.405 -2.886 1.00 73.00 H new ATOM 428 N ALA A 28 -0.595 10.624 0.141 1.00 1.13 N ATOM 429 CA ALA A 28 -0.718 9.380 0.893 1.00 5.44 C ATOM 430 C ALA A 28 -1.702 8.427 0.225 1.00 61.20 C ATOM 431 O ALA A 28 -1.502 7.212 0.227 1.00 62.10 O ATOM 432 CB ALA A 28 -1.151 9.672 2.323 1.00 2.24 C ATOM 0 H ALA A 28 -0.836 11.463 0.669 1.00 1.13 H new ATOM 0 HA ALA A 28 0.258 8.896 0.910 1.00 5.44 H new ATOM 0 HB1 ALA A 28 -1.240 8.736 2.875 1.00 2.24 H new ATOM 0 HB2 ALA A 28 -0.409 10.309 2.805 1.00 2.24 H new ATOM 0 HB3 ALA A 28 -2.115 10.181 2.315 1.00 2.24 H new ATOM 438 N LEU A 29 -2.764 8.984 -0.347 1.00 14.30 N ATOM 439 CA LEU A 29 -3.779 8.181 -1.019 1.00 22.30 C ATOM 440 C LEU A 29 -3.183 7.435 -2.209 1.00 3.25 C ATOM 441 O LEU A 29 -3.372 6.227 -2.353 1.00 33.30 O ATOM 442 CB LEU A 29 -4.934 9.070 -1.485 1.00 73.10 C ATOM 443 CG LEU A 29 -6.041 8.343 -2.253 1.00 14.40 C ATOM 444 CD1 LEU A 29 -6.786 7.386 -1.335 1.00 45.40 C ATOM 445 CD2 LEU A 29 -7.002 9.346 -2.874 1.00 24.10 C ATOM 0 H LEU A 29 -2.944 9.988 -0.359 1.00 14.30 H new ATOM 0 HA LEU A 29 -4.158 7.448 -0.307 1.00 22.30 H new ATOM 0 HB2 LEU A 29 -5.375 9.554 -0.613 1.00 73.10 H new ATOM 0 HB3 LEU A 29 -4.532 9.860 -2.119 1.00 73.10 H new ATOM 0 HG LEU A 29 -5.583 7.763 -3.054 1.00 14.40 H new ATOM 0 HD11 LEU A 29 -7.569 6.878 -1.898 1.00 45.40 H new ATOM 0 HD12 LEU A 29 -6.090 6.649 -0.936 1.00 45.40 H new ATOM 0 HD13 LEU A 29 -7.234 7.945 -0.513 1.00 45.40 H new ATOM 0 HD21 LEU A 29 -7.783 8.814 -3.417 1.00 24.10 H new ATOM 0 HD22 LEU A 29 -7.454 9.951 -2.088 1.00 24.10 H new ATOM 0 HD23 LEU A 29 -6.458 9.993 -3.563 1.00 24.10 H new ATOM 457 N ARG A 30 -2.466 8.162 -3.057 1.00 1.33 N ATOM 458 CA ARG A 30 -1.842 7.569 -4.236 1.00 74.50 C ATOM 459 C ARG A 30 -0.722 6.614 -3.838 1.00 43.10 C ATOM 460 O ARG A 30 -0.514 5.584 -4.479 1.00 33.40 O ATOM 461 CB ARG A 30 -1.292 8.664 -5.152 1.00 20.20 C ATOM 462 CG ARG A 30 -2.360 9.354 -5.984 1.00 23.00 C ATOM 463 CD ARG A 30 -2.699 8.553 -7.231 1.00 15.40 C ATOM 464 NE ARG A 30 -2.007 9.060 -8.413 1.00 54.10 N ATOM 465 CZ ARG A 30 -2.397 10.132 -9.098 1.00 75.20 C ATOM 466 NH1 ARG A 30 -3.474 10.812 -8.723 1.00 75.10 N ATOM 467 NH2 ARG A 30 -1.709 10.525 -10.160 1.00 44.20 N ATOM 0 H ARG A 30 -2.301 9.163 -2.951 1.00 1.33 H new ATOM 0 HA ARG A 30 -2.603 7.003 -4.773 1.00 74.50 H new ATOM 0 HB2 ARG A 30 -0.778 9.409 -4.545 1.00 20.20 H new ATOM 0 HB3 ARG A 30 -0.548 8.228 -5.819 1.00 20.20 H new ATOM 0 HG2 ARG A 30 -3.259 9.491 -5.383 1.00 23.00 H new ATOM 0 HG3 ARG A 30 -2.014 10.347 -6.271 1.00 23.00 H new ATOM 0 HD2 ARG A 30 -2.431 7.508 -7.075 1.00 15.40 H new ATOM 0 HD3 ARG A 30 -3.775 8.584 -7.400 1.00 15.40 H new ATOM 0 HE ARG A 30 -1.176 8.563 -8.732 1.00 54.10 H new ATOM 0 HH11 ARG A 30 -4.007 10.513 -7.906 1.00 75.10 H new ATOM 0 HH12 ARG A 30 -3.768 11.633 -9.252 1.00 75.10 H new ATOM 0 HH21 ARG A 30 -0.881 10.006 -10.452 1.00 44.20 H new ATOM 0 HH22 ARG A 30 -2.007 11.347 -10.686 1.00 44.20 H new ATOM 481 N LEU A 31 -0.002 6.964 -2.777 1.00 71.40 N ATOM 482 CA LEU A 31 1.099 6.140 -2.294 1.00 20.10 C ATOM 483 C LEU A 31 0.582 4.855 -1.654 1.00 1.43 C ATOM 484 O LEU A 31 1.251 3.822 -1.684 1.00 44.10 O ATOM 485 CB LEU A 31 1.944 6.922 -1.285 1.00 23.40 C ATOM 486 CG LEU A 31 3.143 7.661 -1.880 1.00 11.40 C ATOM 487 CD1 LEU A 31 4.192 6.672 -2.363 1.00 41.20 C ATOM 488 CD2 LEU A 31 2.699 8.568 -3.019 1.00 44.10 C ATOM 0 H LEU A 31 -0.162 7.813 -2.235 1.00 71.40 H new ATOM 0 HA LEU A 31 1.720 5.872 -3.149 1.00 20.10 H new ATOM 0 HB2 LEU A 31 1.303 7.646 -0.782 1.00 23.40 H new ATOM 0 HB3 LEU A 31 2.304 6.231 -0.523 1.00 23.40 H new ATOM 0 HG LEU A 31 3.587 8.280 -1.101 1.00 11.40 H new ATOM 0 HD11 LEU A 31 5.038 7.215 -2.783 1.00 41.20 H new ATOM 0 HD12 LEU A 31 4.532 6.064 -1.525 1.00 41.20 H new ATOM 0 HD13 LEU A 31 3.759 6.027 -3.128 1.00 41.20 H new ATOM 0 HD21 LEU A 31 3.565 9.086 -3.430 1.00 44.10 H new ATOM 0 HD22 LEU A 31 2.230 7.969 -3.799 1.00 44.10 H new ATOM 0 HD23 LEU A 31 1.983 9.300 -2.644 1.00 44.10 H new ATOM 500 N TYR A 32 -0.612 4.925 -1.074 1.00 53.00 N ATOM 501 CA TYR A 32 -1.216 3.767 -0.425 1.00 15.40 C ATOM 502 C TYR A 32 -1.730 2.769 -1.459 1.00 73.10 C ATOM 503 O TYR A 32 -1.379 1.589 -1.423 1.00 34.50 O ATOM 504 CB TYR A 32 -2.358 4.210 0.492 1.00 43.10 C ATOM 505 CG TYR A 32 -2.030 4.096 1.964 1.00 21.10 C ATOM 506 CD1 TYR A 32 -2.052 2.865 2.608 1.00 72.00 C ATOM 507 CD2 TYR A 32 -1.698 5.220 2.710 1.00 51.20 C ATOM 508 CE1 TYR A 32 -1.753 2.757 3.952 1.00 53.20 C ATOM 509 CE2 TYR A 32 -1.395 5.120 4.055 1.00 34.20 C ATOM 510 CZ TYR A 32 -1.425 3.887 4.671 1.00 23.30 C ATOM 511 OH TYR A 32 -1.126 3.783 6.010 1.00 71.00 O ATOM 0 H TYR A 32 -1.180 5.771 -1.040 1.00 53.00 H new ATOM 0 HA TYR A 32 -0.450 3.275 0.174 1.00 15.40 H new ATOM 0 HB2 TYR A 32 -2.615 5.244 0.264 1.00 43.10 H new ATOM 0 HB3 TYR A 32 -3.240 3.607 0.277 1.00 43.10 H new ATOM 0 HD1 TYR A 32 -2.307 1.977 2.048 1.00 72.00 H new ATOM 0 HD2 TYR A 32 -1.676 6.188 2.231 1.00 51.20 H new ATOM 0 HE1 TYR A 32 -1.776 1.792 4.437 1.00 53.20 H new ATOM 0 HE2 TYR A 32 -1.136 6.003 4.620 1.00 34.20 H new ATOM 0 HH TYR A 32 -0.916 4.671 6.368 1.00 71.00 H new ATOM 521 N GLN A 33 -2.565 3.248 -2.375 1.00 22.30 N ATOM 522 CA GLN A 33 -3.129 2.396 -3.417 1.00 70.20 C ATOM 523 C GLN A 33 -2.028 1.756 -4.256 1.00 64.20 C ATOM 524 O GLN A 33 -2.190 0.647 -4.767 1.00 4.22 O ATOM 525 CB GLN A 33 -4.065 3.207 -4.315 1.00 31.50 C ATOM 526 CG GLN A 33 -3.378 4.360 -5.028 1.00 13.30 C ATOM 527 CD GLN A 33 -4.164 4.856 -6.225 1.00 73.00 C ATOM 528 OE1 GLN A 33 -4.308 4.150 -7.223 1.00 72.20 O ATOM 529 NE2 GLN A 33 -4.677 6.077 -6.132 1.00 42.10 N ATOM 0 H GLN A 33 -2.866 4.222 -2.417 1.00 22.30 H new ATOM 0 HA GLN A 33 -3.697 1.602 -2.933 1.00 70.20 H new ATOM 0 HB2 GLN A 33 -4.507 2.543 -5.058 1.00 31.50 H new ATOM 0 HB3 GLN A 33 -4.883 3.600 -3.712 1.00 31.50 H new ATOM 0 HG2 GLN A 33 -3.234 5.182 -4.327 1.00 13.30 H new ATOM 0 HG3 GLN A 33 -2.388 4.042 -5.354 1.00 13.30 H new ATOM 0 HE21 GLN A 33 -4.533 6.628 -5.286 1.00 42.10 H new ATOM 0 HE22 GLN A 33 -5.215 6.464 -6.907 1.00 42.10 H new ATOM 538 N HIS A 34 -0.909 2.459 -4.396 1.00 71.20 N ATOM 539 CA HIS A 34 0.217 1.958 -5.175 1.00 4.10 C ATOM 540 C HIS A 34 0.894 0.789 -4.465 1.00 71.50 C ATOM 541 O HIS A 34 1.362 -0.153 -5.106 1.00 72.00 O ATOM 542 CB HIS A 34 1.230 3.078 -5.424 1.00 55.10 C ATOM 543 CG HIS A 34 1.202 3.606 -6.826 1.00 45.00 C ATOM 544 ND1 HIS A 34 2.031 3.137 -7.823 1.00 41.40 N ATOM 545 CD2 HIS A 34 0.439 4.569 -7.395 1.00 62.20 C ATOM 546 CE1 HIS A 34 1.778 3.790 -8.944 1.00 12.40 C ATOM 547 NE2 HIS A 34 0.817 4.662 -8.711 1.00 22.20 N ATOM 0 H HIS A 34 -0.758 3.378 -3.980 1.00 71.20 H new ATOM 0 HA HIS A 34 -0.164 1.604 -6.133 1.00 4.10 H new ATOM 0 HB2 HIS A 34 1.033 3.896 -4.732 1.00 55.10 H new ATOM 0 HB3 HIS A 34 2.231 2.708 -5.203 1.00 55.10 H new ATOM 0 HD2 HIS A 34 -0.325 5.155 -6.905 1.00 62.20 H new ATOM 0 HE1 HIS A 34 2.274 3.635 -9.891 1.00 12.40 H new ATOM 0 HE2 HIS A 34 0.419 5.302 -9.398 1.00 22.20 H new ATOM 556 N ALA A 35 0.946 0.857 -3.139 1.00 61.10 N ATOM 557 CA ALA A 35 1.568 -0.195 -2.343 1.00 52.20 C ATOM 558 C ALA A 35 0.723 -1.466 -2.350 1.00 32.00 C ATOM 559 O ALA A 35 1.250 -2.573 -2.245 1.00 22.10 O ATOM 560 CB ALA A 35 1.791 0.286 -0.917 1.00 20.00 C ATOM 0 H ALA A 35 0.565 1.630 -2.593 1.00 61.10 H new ATOM 0 HA ALA A 35 2.533 -0.432 -2.791 1.00 52.20 H new ATOM 0 HB1 ALA A 35 2.256 -0.509 -0.333 1.00 20.00 H new ATOM 0 HB2 ALA A 35 2.443 1.159 -0.925 1.00 20.00 H new ATOM 0 HB3 ALA A 35 0.834 0.553 -0.469 1.00 20.00 H new ATOM 566 N VAL A 36 -0.590 -1.298 -2.472 1.00 22.00 N ATOM 567 CA VAL A 36 -1.505 -2.432 -2.489 1.00 32.20 C ATOM 568 C VAL A 36 -1.474 -3.143 -3.838 1.00 74.20 C ATOM 569 O VAL A 36 -1.674 -4.356 -3.917 1.00 15.50 O ATOM 570 CB VAL A 36 -2.952 -1.992 -2.187 1.00 23.40 C ATOM 571 CG1 VAL A 36 -3.862 -3.204 -2.045 1.00 64.30 C ATOM 572 CG2 VAL A 36 -2.999 -1.133 -0.932 1.00 21.50 C ATOM 0 H VAL A 36 -1.043 -0.388 -2.560 1.00 22.00 H new ATOM 0 HA VAL A 36 -1.172 -3.119 -1.711 1.00 32.20 H new ATOM 0 HB VAL A 36 -3.311 -1.393 -3.024 1.00 23.40 H new ATOM 0 HG11 VAL A 36 -4.878 -2.873 -1.832 1.00 64.30 H new ATOM 0 HG12 VAL A 36 -3.854 -3.776 -2.973 1.00 64.30 H new ATOM 0 HG13 VAL A 36 -3.507 -3.832 -1.228 1.00 64.30 H new ATOM 0 HG21 VAL A 36 -4.028 -0.832 -0.735 1.00 21.50 H new ATOM 0 HG22 VAL A 36 -2.620 -1.705 -0.085 1.00 21.50 H new ATOM 0 HG23 VAL A 36 -2.383 -0.245 -1.075 1.00 21.50 H new ATOM 582 N GLU A 37 -1.224 -2.381 -4.898 1.00 12.40 N ATOM 583 CA GLU A 37 -1.167 -2.939 -6.244 1.00 1.40 C ATOM 584 C GLU A 37 0.060 -3.828 -6.418 1.00 62.10 C ATOM 585 O GLU A 37 0.037 -4.794 -7.179 1.00 64.30 O ATOM 586 CB GLU A 37 -1.147 -1.816 -7.283 1.00 34.40 C ATOM 587 CG GLU A 37 -2.528 -1.285 -7.631 1.00 74.50 C ATOM 588 CD GLU A 37 -3.032 -1.800 -8.966 1.00 73.10 C ATOM 589 OE1 GLU A 37 -3.237 -3.025 -9.090 1.00 13.10 O ATOM 590 OE2 GLU A 37 -3.223 -0.976 -9.885 1.00 43.30 O ATOM 0 H GLU A 37 -1.058 -1.376 -4.851 1.00 12.40 H new ATOM 0 HA GLU A 37 -2.058 -3.550 -6.393 1.00 1.40 H new ATOM 0 HB2 GLU A 37 -0.535 -0.996 -6.907 1.00 34.40 H new ATOM 0 HB3 GLU A 37 -0.668 -2.181 -8.191 1.00 34.40 H new ATOM 0 HG2 GLU A 37 -3.230 -1.569 -6.848 1.00 74.50 H new ATOM 0 HG3 GLU A 37 -2.499 -0.196 -7.653 1.00 74.50 H new ATOM 597 N TYR A 38 1.132 -3.494 -5.707 1.00 31.40 N ATOM 598 CA TYR A 38 2.369 -4.262 -5.784 1.00 53.50 C ATOM 599 C TYR A 38 2.228 -5.602 -5.068 1.00 54.10 C ATOM 600 O TYR A 38 2.716 -6.626 -5.546 1.00 63.20 O ATOM 601 CB TYR A 38 3.526 -3.466 -5.177 1.00 1.54 C ATOM 602 CG TYR A 38 4.094 -2.416 -6.105 1.00 63.30 C ATOM 603 CD1 TYR A 38 4.726 -2.777 -7.289 1.00 41.40 C ATOM 604 CD2 TYR A 38 3.998 -1.065 -5.799 1.00 34.30 C ATOM 605 CE1 TYR A 38 5.247 -1.820 -8.140 1.00 32.30 C ATOM 606 CE2 TYR A 38 4.515 -0.102 -6.644 1.00 72.50 C ATOM 607 CZ TYR A 38 5.138 -0.484 -7.813 1.00 61.40 C ATOM 608 OH TYR A 38 5.655 0.471 -8.658 1.00 64.20 O ATOM 0 H TYR A 38 1.169 -2.697 -5.071 1.00 31.40 H new ATOM 0 HA TYR A 38 2.580 -4.455 -6.836 1.00 53.50 H new ATOM 0 HB2 TYR A 38 3.182 -2.982 -4.263 1.00 1.54 H new ATOM 0 HB3 TYR A 38 4.321 -4.156 -4.893 1.00 1.54 H new ATOM 0 HD1 TYR A 38 4.812 -3.822 -7.548 1.00 41.40 H new ATOM 0 HD2 TYR A 38 3.511 -0.762 -4.884 1.00 34.30 H new ATOM 0 HE1 TYR A 38 5.737 -2.117 -9.056 1.00 32.30 H new ATOM 0 HE2 TYR A 38 4.432 0.944 -6.390 1.00 72.50 H new ATOM 0 HH TYR A 38 5.494 1.362 -8.282 1.00 64.20 H new ATOM 618 N PHE A 39 1.560 -5.587 -3.920 1.00 63.00 N ATOM 619 CA PHE A 39 1.356 -6.802 -3.138 1.00 64.20 C ATOM 620 C PHE A 39 0.521 -7.817 -3.911 1.00 0.21 C ATOM 621 O PHE A 39 0.834 -9.008 -3.931 1.00 21.30 O ATOM 622 CB PHE A 39 0.675 -6.470 -1.809 1.00 4.03 C ATOM 623 CG PHE A 39 1.629 -6.024 -0.738 1.00 55.20 C ATOM 624 CD1 PHE A 39 2.629 -6.871 -0.286 1.00 71.00 C ATOM 625 CD2 PHE A 39 1.527 -4.758 -0.184 1.00 5.35 C ATOM 626 CE1 PHE A 39 3.509 -6.464 0.697 1.00 11.30 C ATOM 627 CE2 PHE A 39 2.405 -4.345 0.801 1.00 34.40 C ATOM 628 CZ PHE A 39 3.397 -5.199 1.242 1.00 61.40 C ATOM 0 H PHE A 39 1.150 -4.748 -3.510 1.00 63.00 H new ATOM 0 HA PHE A 39 2.333 -7.242 -2.939 1.00 64.20 H new ATOM 0 HB2 PHE A 39 -0.064 -5.686 -1.975 1.00 4.03 H new ATOM 0 HB3 PHE A 39 0.134 -7.349 -1.458 1.00 4.03 H new ATOM 0 HD1 PHE A 39 2.721 -7.861 -0.708 1.00 71.00 H new ATOM 0 HD2 PHE A 39 0.753 -4.086 -0.525 1.00 5.35 H new ATOM 0 HE1 PHE A 39 4.284 -7.134 1.040 1.00 11.30 H new ATOM 0 HE2 PHE A 39 2.315 -3.356 1.225 1.00 34.40 H new ATOM 0 HZ PHE A 39 4.084 -4.879 2.011 1.00 61.40 H new ATOM 638 N LEU A 40 -0.546 -7.339 -4.544 1.00 22.50 N ATOM 639 CA LEU A 40 -1.428 -8.206 -5.317 1.00 14.00 C ATOM 640 C LEU A 40 -0.689 -8.824 -6.500 1.00 45.10 C ATOM 641 O LEU A 40 -0.841 -10.010 -6.787 1.00 35.40 O ATOM 642 CB LEU A 40 -2.642 -7.419 -5.815 1.00 41.30 C ATOM 643 CG LEU A 40 -3.798 -7.312 -4.820 1.00 60.30 C ATOM 644 CD1 LEU A 40 -4.811 -6.280 -5.287 1.00 35.50 C ATOM 645 CD2 LEU A 40 -4.462 -8.667 -4.629 1.00 25.10 C ATOM 0 H LEU A 40 -0.820 -6.357 -4.537 1.00 22.50 H new ATOM 0 HA LEU A 40 -1.766 -9.011 -4.664 1.00 14.00 H new ATOM 0 HB2 LEU A 40 -2.319 -6.413 -6.082 1.00 41.30 H new ATOM 0 HB3 LEU A 40 -3.010 -7.888 -6.727 1.00 41.30 H new ATOM 0 HG LEU A 40 -3.398 -6.987 -3.860 1.00 60.30 H new ATOM 0 HD11 LEU A 40 -5.626 -6.218 -4.566 1.00 35.50 H new ATOM 0 HD12 LEU A 40 -4.327 -5.307 -5.372 1.00 35.50 H new ATOM 0 HD13 LEU A 40 -5.208 -6.573 -6.259 1.00 35.50 H new ATOM 0 HD21 LEU A 40 -5.283 -8.573 -3.918 1.00 25.10 H new ATOM 0 HD22 LEU A 40 -4.849 -9.021 -5.585 1.00 25.10 H new ATOM 0 HD23 LEU A 40 -3.731 -9.380 -4.247 1.00 25.10 H new ATOM 657 N HIS A 41 0.109 -8.010 -7.183 1.00 23.10 N ATOM 658 CA HIS A 41 0.870 -8.478 -8.337 1.00 14.20 C ATOM 659 C HIS A 41 1.938 -9.482 -7.915 1.00 74.20 C ATOM 660 O HIS A 41 2.291 -10.380 -8.676 1.00 41.30 O ATOM 661 CB HIS A 41 1.522 -7.296 -9.056 1.00 33.10 C ATOM 662 CG HIS A 41 2.086 -7.650 -10.390 1.00 12.30 C ATOM 663 ND1 HIS A 41 1.671 -7.053 -11.560 1.00 54.00 N ATOM 664 CD2 HIS A 41 3.038 -8.546 -10.750 1.00 2.35 C ATOM 665 CE1 HIS A 41 2.343 -7.566 -12.580 1.00 43.10 C ATOM 666 NE2 HIS A 41 3.178 -8.473 -12.110 1.00 22.20 N ATOM 0 H HIS A 41 0.246 -7.024 -6.958 1.00 23.10 H new ATOM 0 HA HIS A 41 0.180 -8.975 -9.019 1.00 14.20 H new ATOM 0 HB2 HIS A 41 0.783 -6.504 -9.181 1.00 33.10 H new ATOM 0 HB3 HIS A 41 2.318 -6.893 -8.429 1.00 33.10 H new ATOM 0 HD2 HIS A 41 3.586 -9.198 -10.086 1.00 2.35 H new ATOM 0 HE1 HIS A 41 2.227 -7.289 -13.618 1.00 43.10 H new ATOM 0 HE2 HIS A 41 3.824 -9.030 -12.670 1.00 22.20 H new ATOM 675 N ALA A 42 2.450 -9.321 -6.699 1.00 1.23 N ATOM 676 CA ALA A 42 3.479 -10.210 -6.179 1.00 33.30 C ATOM 677 C ALA A 42 2.922 -11.610 -5.934 1.00 2.21 C ATOM 678 O ALA A 42 3.600 -12.610 -6.173 1.00 71.50 O ATOM 679 CB ALA A 42 4.069 -9.646 -4.897 1.00 43.10 C ATOM 0 H ALA A 42 2.168 -8.582 -6.056 1.00 1.23 H new ATOM 0 HA ALA A 42 4.269 -10.285 -6.927 1.00 33.30 H new ATOM 0 HB1 ALA A 42 4.837 -10.323 -4.521 1.00 43.10 H new ATOM 0 HB2 ALA A 42 4.512 -8.671 -5.099 1.00 43.10 H new ATOM 0 HB3 ALA A 42 3.282 -9.540 -4.150 1.00 43.10 H new ATOM 685 N ILE A 43 1.685 -11.670 -5.453 1.00 33.10 N ATOM 686 CA ILE A 43 1.039 -12.950 -5.173 1.00 32.20 C ATOM 687 C ILE A 43 0.650 -13.660 -6.462 1.00 43.40 C ATOM 688 O ILE A 43 0.862 -14.870 -6.603 1.00 23.10 O ATOM 689 CB ILE A 43 -0.220 -12.760 -4.302 1.00 14.40 C ATOM 690 CG1 ILE A 43 0.102 -11.910 -3.075 1.00 53.10 C ATOM 691 CG2 ILE A 43 -0.776 -14.120 -3.880 1.00 61.40 C ATOM 692 CD1 ILE A 43 -1.102 -11.180 -2.512 1.00 23.10 C ATOM 0 H ILE A 43 1.111 -10.852 -5.249 1.00 33.10 H new ATOM 0 HA ILE A 43 1.760 -13.561 -4.630 1.00 32.20 H new ATOM 0 HB ILE A 43 -0.977 -12.240 -4.889 1.00 14.40 H new ATOM 0 HG12 ILE A 43 0.524 -12.550 -2.300 1.00 53.10 H new ATOM 0 HG13 ILE A 43 0.868 -11.181 -3.339 1.00 53.10 H new ATOM 0 HG21 ILE A 43 -1.665 -13.975 -3.266 1.00 61.40 H new ATOM 0 HG22 ILE A 43 -1.038 -14.697 -4.767 1.00 61.40 H new ATOM 0 HG23 ILE A 43 -0.022 -14.659 -3.306 1.00 61.40 H new ATOM 0 HD11 ILE A 43 -0.800 -10.596 -1.642 1.00 23.10 H new ATOM 0 HD12 ILE A 43 -1.512 -10.514 -3.272 1.00 23.10 H new ATOM 0 HD13 ILE A 43 -1.861 -11.904 -2.217 1.00 23.10 H new ATOM 704 N LYS A 44 0.079 -12.910 -7.401 1.00 43.50 N ATOM 705 CA LYS A 44 -0.341 -13.480 -8.678 1.00 51.30 C ATOM 706 C LYS A 44 0.842 -14.090 -9.422 1.00 53.20 C ATOM 707 O LYS A 44 0.800 -15.250 -9.833 1.00 31.40 O ATOM 708 CB LYS A 44 -1.005 -12.400 -9.541 1.00 43.50 C ATOM 709 CG LYS A 44 -2.351 -12.830 -10.110 1.00 22.50 C ATOM 710 CD LYS A 44 -2.373 -12.740 -11.630 1.00 22.50 C ATOM 711 CE LYS A 44 -3.581 -11.960 -12.120 1.00 23.40 C ATOM 712 NZ LYS A 44 -3.355 -10.490 -12.070 1.00 43.40 N ATOM 0 H LYS A 44 -0.103 -11.911 -7.303 1.00 43.50 H new ATOM 0 HA LYS A 44 -1.061 -14.273 -8.477 1.00 51.30 H new ATOM 0 HB2 LYS A 44 -1.142 -11.499 -8.943 1.00 43.50 H new ATOM 0 HB3 LYS A 44 -0.337 -12.139 -10.362 1.00 43.50 H new ATOM 0 HG2 LYS A 44 -2.566 -13.853 -9.803 1.00 22.50 H new ATOM 0 HG3 LYS A 44 -3.139 -12.201 -9.696 1.00 22.50 H new ATOM 0 HD2 LYS A 44 -1.460 -12.259 -11.981 1.00 22.50 H new ATOM 0 HD3 LYS A 44 -2.388 -13.743 -12.056 1.00 22.50 H new ATOM 0 HE2 LYS A 44 -3.813 -12.256 -13.143 1.00 23.40 H new ATOM 0 HE3 LYS A 44 -4.448 -12.214 -11.510 1.00 23.40 H new ATOM 0 HZ1 LYS A 44 -4.204 -9.996 -12.413 1.00 43.40 H new ATOM 0 HZ2 LYS A 44 -3.159 -10.202 -11.090 1.00 43.40 H new ATOM 0 HZ3 LYS A 44 -2.544 -10.243 -12.672 1.00 43.40 H new ATOM 726 N TYR A 45 1.899 -13.300 -9.594 1.00 22.00 N ATOM 727 CA TYR A 45 3.093 -13.760 -10.290 1.00 72.40 C ATOM 728 C TYR A 45 3.926 -14.680 -9.395 1.00 14.00 C ATOM 729 O TYR A 45 4.100 -15.860 -9.691 1.00 14.30 O ATOM 730 CB TYR A 45 3.936 -12.570 -10.740 1.00 53.20 C ATOM 731 CG TYR A 45 3.519 -12.020 -12.080 1.00 74.20 C ATOM 732 CD1 TYR A 45 2.251 -11.480 -12.270 1.00 34.50 C ATOM 733 CD2 TYR A 45 4.394 -12.030 -13.160 1.00 5.33 C ATOM 734 CE1 TYR A 45 1.865 -10.970 -13.500 1.00 25.10 C ATOM 735 CE2 TYR A 45 4.016 -11.520 -14.390 1.00 71.30 C ATOM 736 CZ TYR A 45 2.752 -10.990 -14.550 1.00 31.10 C ATOM 737 OH TYR A 45 2.372 -10.490 -15.780 1.00 21.00 O ATOM 0 H TYR A 45 1.951 -12.338 -9.260 1.00 22.00 H new ATOM 0 HA TYR A 45 2.777 -14.325 -11.167 1.00 72.40 H new ATOM 0 HB2 TYR A 45 3.866 -11.780 -9.992 1.00 53.20 H new ATOM 0 HB3 TYR A 45 4.982 -12.872 -10.788 1.00 53.20 H new ATOM 0 HD1 TYR A 45 1.555 -11.458 -11.445 1.00 34.50 H new ATOM 0 HD2 TYR A 45 5.385 -12.442 -13.037 1.00 5.33 H new ATOM 0 HE1 TYR A 45 0.875 -10.560 -13.632 1.00 25.10 H new ATOM 0 HE2 TYR A 45 4.707 -11.537 -15.220 1.00 71.30 H new ATOM 0 HH TYR A 45 3.115 -10.578 -16.413 1.00 21.00 H new ATOM 747 N GLU A 46 4.439 -14.120 -8.302 1.00 64.00 N ATOM 748 CA GLU A 46 5.254 -14.890 -7.366 1.00 3.45 C ATOM 749 C GLU A 46 4.402 -15.440 -6.228 1.00 11.50 C ATOM 750 O GLU A 46 4.235 -14.800 -5.193 1.00 55.00 O ATOM 751 CB GLU A 46 6.374 -14.020 -6.800 1.00 12.30 C ATOM 752 CG GLU A 46 7.578 -13.900 -7.722 1.00 10.40 C ATOM 753 CD GLU A 46 8.889 -14.160 -7.008 1.00 60.10 C ATOM 754 OE1 GLU A 46 9.443 -13.220 -6.410 1.00 72.50 O ATOM 755 OE2 GLU A 46 9.362 -15.320 -7.048 1.00 52.20 O ATOM 0 H GLU A 46 4.306 -13.142 -8.044 1.00 64.00 H new ATOM 0 HA GLU A 46 5.691 -15.728 -7.909 1.00 3.45 H new ATOM 0 HB2 GLU A 46 5.981 -13.024 -6.598 1.00 12.30 H new ATOM 0 HB3 GLU A 46 6.698 -14.435 -5.846 1.00 12.30 H new ATOM 0 HG2 GLU A 46 7.471 -14.606 -8.546 1.00 10.40 H new ATOM 0 HG3 GLU A 46 7.598 -12.901 -8.158 1.00 10.40 H new ATOM 762 N ALA A 47 3.866 -16.640 -6.429 1.00 32.00 N ATOM 763 CA ALA A 47 3.032 -17.290 -5.421 1.00 0.24 C ATOM 764 C ALA A 47 3.872 -18.120 -4.461 1.00 4.52 C ATOM 765 O ALA A 47 4.626 -19.000 -4.883 1.00 45.10 O ATOM 766 CB ALA A 47 1.972 -18.150 -6.086 1.00 50.40 C ATOM 0 H ALA A 47 3.994 -17.184 -7.282 1.00 32.00 H new ATOM 0 HA ALA A 47 2.536 -16.512 -4.841 1.00 0.24 H new ATOM 0 HB1 ALA A 47 1.359 -18.628 -5.322 1.00 50.40 H new ATOM 0 HB2 ALA A 47 1.342 -17.526 -6.719 1.00 50.40 H new ATOM 0 HB3 ALA A 47 2.454 -18.915 -6.695 1.00 50.40 H new ATOM 772 N HIS A 48 3.739 -17.840 -3.169 1.00 53.20 N ATOM 773 CA HIS A 48 4.486 -18.570 -2.148 1.00 31.40 C ATOM 774 C HIS A 48 3.575 -19.530 -1.387 1.00 24.10 C ATOM 775 O HIS A 48 2.432 -19.760 -1.781 1.00 32.50 O ATOM 776 CB HIS A 48 5.147 -17.590 -1.177 1.00 70.30 C ATOM 777 CG HIS A 48 6.637 -17.520 -1.317 1.00 32.20 C ATOM 778 ND1 HIS A 48 7.481 -18.520 -0.873 1.00 64.50 N ATOM 779 CD2 HIS A 48 7.433 -16.570 -1.858 1.00 12.10 C ATOM 780 CE1 HIS A 48 8.731 -18.180 -1.133 1.00 70.10 C ATOM 781 NE2 HIS A 48 8.729 -17.000 -1.731 1.00 0.50 N ATOM 0 H HIS A 48 3.122 -17.114 -2.803 1.00 53.20 H new ATOM 0 HA HIS A 48 5.260 -19.155 -2.645 1.00 31.40 H new ATOM 0 HB2 HIS A 48 4.728 -16.596 -1.336 1.00 70.30 H new ATOM 0 HB3 HIS A 48 4.900 -17.881 -0.156 1.00 70.30 H new ATOM 0 HD2 HIS A 48 7.108 -15.643 -2.307 1.00 12.10 H new ATOM 0 HE1 HIS A 48 9.607 -18.766 -0.897 1.00 70.10 H new ATOM 0 HE2 HIS A 48 9.556 -16.493 -2.046 1.00 0.50 H new ATOM 790 N SER A 49 4.089 -20.080 -0.295 1.00 55.40 N ATOM 791 CA SER A 49 3.322 -21.020 0.520 1.00 22.30 C ATOM 792 C SER A 49 2.096 -20.340 1.120 1.00 52.30 C ATOM 793 O SER A 49 1.940 -19.120 1.025 1.00 44.50 O ATOM 794 CB SER A 49 4.199 -21.590 1.634 1.00 1.42 C ATOM 795 OG SER A 49 4.803 -22.810 1.231 1.00 25.00 O ATOM 0 H SER A 49 5.031 -19.894 0.048 1.00 55.40 H new ATOM 0 HA SER A 49 2.987 -21.834 -0.122 1.00 22.30 H new ATOM 0 HB2 SER A 49 4.971 -20.868 1.900 1.00 1.42 H new ATOM 0 HB3 SER A 49 3.597 -21.756 2.527 1.00 1.42 H new ATOM 0 HG SER A 49 5.361 -23.155 1.959 1.00 25.00 H new ATOM 801 N ASP A 50 1.230 -21.130 1.740 1.00 34.40 N ATOM 802 CA ASP A 50 0.016 -20.610 2.356 1.00 21.50 C ATOM 803 C ASP A 50 0.352 -19.590 3.440 1.00 51.10 C ATOM 804 O ASP A 50 -0.363 -18.600 3.622 1.00 73.40 O ATOM 805 CB ASP A 50 -0.812 -21.750 2.951 1.00 54.20 C ATOM 806 CG ASP A 50 -1.769 -22.360 1.943 1.00 4.41 C ATOM 807 OD1 ASP A 50 -2.786 -21.710 1.623 1.00 20.10 O ATOM 808 OD2 ASP A 50 -1.500 -23.480 1.473 1.00 43.40 O ATOM 0 H ASP A 50 1.347 -22.139 1.830 1.00 34.40 H new ATOM 0 HA ASP A 50 -0.570 -20.114 1.582 1.00 21.50 H new ATOM 0 HB2 ASP A 50 -0.142 -22.524 3.326 1.00 54.20 H new ATOM 0 HB3 ASP A 50 -1.378 -21.377 3.805 1.00 54.20 H new ATOM 813 N LYS A 51 1.442 -19.840 4.159 1.00 32.30 N ATOM 814 CA LYS A 51 1.871 -18.940 5.226 1.00 54.20 C ATOM 815 C LYS A 51 2.223 -17.560 4.672 1.00 72.40 C ATOM 816 O LYS A 51 1.736 -16.540 5.162 1.00 33.30 O ATOM 817 CB LYS A 51 3.077 -19.530 5.959 1.00 35.20 C ATOM 818 CG LYS A 51 3.154 -19.130 7.424 1.00 32.20 C ATOM 819 CD LYS A 51 4.166 -18.010 7.648 1.00 54.20 C ATOM 820 CE LYS A 51 5.464 -18.550 8.230 1.00 42.40 C ATOM 821 NZ LYS A 51 5.446 -18.560 9.718 1.00 73.30 N ATOM 0 H LYS A 51 2.042 -20.654 4.024 1.00 32.30 H new ATOM 0 HA LYS A 51 1.044 -18.827 5.927 1.00 54.20 H new ATOM 0 HB2 LYS A 51 3.038 -20.617 5.889 1.00 35.20 H new ATOM 0 HB3 LYS A 51 3.990 -19.211 5.455 1.00 35.20 H new ATOM 0 HG2 LYS A 51 2.171 -18.806 7.766 1.00 32.20 H new ATOM 0 HG3 LYS A 51 3.431 -19.997 8.024 1.00 32.20 H new ATOM 0 HD2 LYS A 51 4.370 -17.506 6.703 1.00 54.20 H new ATOM 0 HD3 LYS A 51 3.744 -17.265 8.322 1.00 54.20 H new ATOM 0 HE2 LYS A 51 5.633 -19.562 7.863 1.00 42.40 H new ATOM 0 HE3 LYS A 51 6.298 -17.941 7.882 1.00 42.40 H new ATOM 0 HZ1 LYS A 51 6.349 -18.935 10.074 1.00 73.30 H new ATOM 0 HZ2 LYS A 51 5.311 -17.591 10.070 1.00 73.30 H new ATOM 0 HZ3 LYS A 51 4.666 -19.161 10.052 1.00 73.30 H new ATOM 835 N ALA A 52 3.071 -17.540 3.649 1.00 54.30 N ATOM 836 CA ALA A 52 3.486 -16.290 3.029 1.00 31.40 C ATOM 837 C ALA A 52 2.370 -15.700 2.175 1.00 24.20 C ATOM 838 O ALA A 52 2.222 -14.480 2.085 1.00 1.41 O ATOM 839 CB ALA A 52 4.737 -16.500 2.190 1.00 1.40 C ATOM 0 H ALA A 52 3.483 -18.375 3.233 1.00 54.30 H new ATOM 0 HA ALA A 52 3.712 -15.582 3.826 1.00 31.40 H new ATOM 0 HB1 ALA A 52 5.032 -15.555 1.734 1.00 1.40 H new ATOM 0 HB2 ALA A 52 5.544 -16.864 2.825 1.00 1.40 H new ATOM 0 HB3 ALA A 52 4.532 -17.231 1.408 1.00 1.40 H new ATOM 845 N LYS A 53 1.587 -16.570 1.548 1.00 0.13 N ATOM 846 CA LYS A 53 0.484 -16.130 0.699 1.00 23.20 C ATOM 847 C LYS A 53 -0.634 -15.510 1.531 1.00 61.30 C ATOM 848 O LYS A 53 -1.311 -14.590 1.087 1.00 62.10 O ATOM 849 CB LYS A 53 -0.059 -17.310 -0.111 1.00 0.33 C ATOM 850 CG LYS A 53 -0.879 -16.890 -1.320 1.00 24.30 C ATOM 851 CD LYS A 53 -1.929 -17.930 -1.670 1.00 63.40 C ATOM 852 CE LYS A 53 -3.143 -17.830 -0.759 1.00 64.40 C ATOM 853 NZ LYS A 53 -4.419 -17.920 -1.523 1.00 74.40 N ATOM 0 H LYS A 53 1.694 -17.582 1.611 1.00 0.13 H new ATOM 0 HA LYS A 53 0.863 -15.370 0.016 1.00 23.20 H new ATOM 0 HB2 LYS A 53 0.776 -17.926 -0.445 1.00 0.33 H new ATOM 0 HB3 LYS A 53 -0.675 -17.933 0.538 1.00 0.33 H new ATOM 0 HG2 LYS A 53 -1.365 -15.935 -1.118 1.00 24.30 H new ATOM 0 HG3 LYS A 53 -0.218 -16.737 -2.173 1.00 24.30 H new ATOM 0 HD2 LYS A 53 -2.240 -17.799 -2.707 1.00 63.40 H new ATOM 0 HD3 LYS A 53 -1.495 -18.927 -1.591 1.00 63.40 H new ATOM 0 HE2 LYS A 53 -3.107 -18.628 -0.017 1.00 64.40 H new ATOM 0 HE3 LYS A 53 -3.112 -16.886 -0.214 1.00 64.40 H new ATOM 0 HZ1 LYS A 53 -5.222 -17.848 -0.867 1.00 74.40 H new ATOM 0 HZ2 LYS A 53 -4.465 -17.144 -2.214 1.00 74.40 H new ATOM 0 HZ3 LYS A 53 -4.461 -18.831 -2.023 1.00 74.40 H new ATOM 867 N GLU A 54 -0.823 -16.030 2.739 1.00 33.40 N ATOM 868 CA GLU A 54 -1.861 -15.530 3.633 1.00 2.21 C ATOM 869 C GLU A 54 -1.468 -14.180 4.222 1.00 54.10 C ATOM 870 O GLU A 54 -2.294 -13.270 4.320 1.00 11.10 O ATOM 871 CB GLU A 54 -2.122 -16.530 4.758 1.00 14.10 C ATOM 872 CG GLU A 54 -3.159 -17.590 4.405 1.00 21.50 C ATOM 873 CD GLU A 54 -4.571 -17.150 4.739 1.00 45.20 C ATOM 874 OE1 GLU A 54 -5.069 -16.200 4.090 1.00 52.10 O ATOM 875 OE2 GLU A 54 -5.179 -17.750 5.650 1.00 52.40 O ATOM 0 H GLU A 54 -0.271 -16.798 3.122 1.00 33.40 H new ATOM 0 HA GLU A 54 -2.773 -15.402 3.051 1.00 2.21 H new ATOM 0 HB2 GLU A 54 -1.185 -17.023 5.019 1.00 14.10 H new ATOM 0 HB3 GLU A 54 -2.455 -15.989 5.644 1.00 14.10 H new ATOM 0 HG2 GLU A 54 -3.094 -17.818 3.341 1.00 21.50 H new ATOM 0 HG3 GLU A 54 -2.931 -18.511 4.942 1.00 21.50 H new ATOM 882 N SER A 55 -0.205 -14.060 4.615 1.00 70.10 N ATOM 883 CA SER A 55 0.296 -12.820 5.197 1.00 72.10 C ATOM 884 C SER A 55 0.141 -11.650 4.222 1.00 3.23 C ATOM 885 O SER A 55 -0.292 -10.560 4.603 1.00 43.00 O ATOM 886 CB SER A 55 1.766 -12.970 5.595 1.00 32.10 C ATOM 887 OG SER A 55 1.910 -13.030 7.004 1.00 71.10 O ATOM 0 H SER A 55 0.489 -14.804 4.542 1.00 70.10 H new ATOM 0 HA SER A 55 -0.296 -12.609 6.087 1.00 72.10 H new ATOM 0 HB2 SER A 55 2.177 -13.874 5.146 1.00 32.10 H new ATOM 0 HB3 SER A 55 2.340 -12.130 5.203 1.00 32.10 H new ATOM 0 HG SER A 55 2.858 -13.128 7.232 1.00 71.10 H new ATOM 893 N ILE A 56 0.497 -11.890 2.963 1.00 12.20 N ATOM 894 CA ILE A 56 0.399 -10.860 1.935 1.00 72.50 C ATOM 895 C ILE A 56 -1.056 -10.560 1.588 1.00 2.45 C ATOM 896 O ILE A 56 -1.416 -9.426 1.294 1.00 74.10 O ATOM 897 CB ILE A 56 1.147 -11.270 0.653 1.00 62.40 C ATOM 898 CG1 ILE A 56 2.571 -11.720 0.986 1.00 70.40 C ATOM 899 CG2 ILE A 56 1.171 -10.120 -0.342 1.00 15.10 C ATOM 900 CD1 ILE A 56 3.085 -12.820 0.078 1.00 13.40 C ATOM 0 H ILE A 56 0.855 -12.786 2.632 1.00 12.20 H new ATOM 0 HA ILE A 56 0.862 -9.963 2.346 1.00 72.50 H new ATOM 0 HB ILE A 56 0.618 -12.107 0.198 1.00 62.40 H new ATOM 0 HG12 ILE A 56 3.240 -10.862 0.919 1.00 70.40 H new ATOM 0 HG13 ILE A 56 2.602 -12.068 2.019 1.00 70.40 H new ATOM 0 HG21 ILE A 56 1.704 -10.428 -1.242 1.00 15.10 H new ATOM 0 HG22 ILE A 56 0.150 -9.843 -0.602 1.00 15.10 H new ATOM 0 HG23 ILE A 56 1.677 -9.264 0.104 1.00 15.10 H new ATOM 0 HD11 ILE A 56 4.100 -13.089 0.371 1.00 13.40 H new ATOM 0 HD12 ILE A 56 2.439 -13.694 0.163 1.00 13.40 H new ATOM 0 HD13 ILE A 56 3.087 -12.469 -0.954 1.00 13.40 H new ATOM 912 N ARG A 57 -1.890 -11.600 1.621 1.00 2.35 N ATOM 913 CA ARG A 57 -3.307 -11.450 1.308 1.00 45.30 C ATOM 914 C ARG A 57 -4.013 -10.590 2.354 1.00 33.10 C ATOM 915 O ARG A 57 -4.849 -9.756 2.021 1.00 54.40 O ATOM 916 CB ARG A 57 -3.977 -12.820 1.219 1.00 13.30 C ATOM 917 CG ARG A 57 -5.332 -12.790 0.532 1.00 34.40 C ATOM 918 CD ARG A 57 -5.212 -13.110 -0.949 1.00 72.10 C ATOM 919 NE ARG A 57 -6.488 -12.960 -1.645 1.00 1.21 N ATOM 920 CZ ARG A 57 -6.998 -11.790 -2.022 1.00 2.42 C ATOM 921 NH1 ARG A 57 -6.343 -10.670 -1.771 1.00 25.40 N ATOM 922 NH2 ARG A 57 -8.164 -11.750 -2.650 1.00 61.10 N ATOM 0 H ARG A 57 -1.608 -12.551 1.861 1.00 2.35 H new ATOM 0 HA ARG A 57 -3.388 -10.949 0.343 1.00 45.30 H new ATOM 0 HB2 ARG A 57 -3.320 -13.502 0.679 1.00 13.30 H new ATOM 0 HB3 ARG A 57 -4.098 -13.222 2.225 1.00 13.30 H new ATOM 0 HG2 ARG A 57 -5.999 -13.509 1.008 1.00 34.40 H new ATOM 0 HG3 ARG A 57 -5.783 -11.806 0.657 1.00 34.40 H new ATOM 0 HD2 ARG A 57 -4.471 -12.452 -1.403 1.00 72.10 H new ATOM 0 HD3 ARG A 57 -4.850 -14.131 -1.071 1.00 72.10 H new ATOM 0 HE ARG A 57 -7.021 -13.804 -1.855 1.00 1.21 H new ATOM 0 HH11 ARG A 57 -5.445 -10.702 -1.288 1.00 25.40 H new ATOM 0 HH12 ARG A 57 -6.735 -9.774 -2.061 1.00 25.40 H new ATOM 0 HH21 ARG A 57 -8.669 -12.615 -2.844 1.00 61.10 H new ATOM 0 HH22 ARG A 57 -8.557 -10.854 -2.940 1.00 61.10 H new ATOM 936 N ALA A 58 -3.674 -10.810 3.619 1.00 23.30 N ATOM 937 CA ALA A 58 -4.278 -10.060 4.714 1.00 65.50 C ATOM 938 C ALA A 58 -3.670 -8.671 4.836 1.00 11.50 C ATOM 939 O ALA A 58 -4.320 -7.739 5.309 1.00 1.13 O ATOM 940 CB ALA A 58 -4.121 -10.820 6.022 1.00 54.20 C ATOM 0 H ALA A 58 -2.984 -11.502 3.912 1.00 23.30 H new ATOM 0 HA ALA A 58 -5.339 -9.943 4.495 1.00 65.50 H new ATOM 0 HB1 ALA A 58 -4.576 -10.249 6.831 1.00 54.20 H new ATOM 0 HB2 ALA A 58 -4.612 -11.790 5.941 1.00 54.20 H new ATOM 0 HB3 ALA A 58 -3.062 -10.967 6.233 1.00 54.20 H new ATOM 946 N LYS A 59 -2.418 -8.535 4.410 1.00 31.30 N ATOM 947 CA LYS A 59 -1.724 -7.253 4.478 1.00 54.50 C ATOM 948 C LYS A 59 -2.348 -6.238 3.524 1.00 51.30 C ATOM 949 O LYS A 59 -2.667 -5.116 3.920 1.00 3.55 O ATOM 950 CB LYS A 59 -0.241 -7.436 4.145 1.00 4.12 C ATOM 951 CG LYS A 59 0.619 -7.757 5.357 1.00 4.41 C ATOM 952 CD LYS A 59 0.937 -6.507 6.162 1.00 14.50 C ATOM 953 CE LYS A 59 1.329 -6.847 7.590 1.00 61.20 C ATOM 954 NZ LYS A 59 1.212 -5.670 8.494 1.00 63.00 N ATOM 0 H LYS A 59 -1.864 -9.295 4.015 1.00 31.30 H new ATOM 0 HA LYS A 59 -1.820 -6.872 5.495 1.00 54.50 H new ATOM 0 HB2 LYS A 59 -0.138 -8.238 3.414 1.00 4.12 H new ATOM 0 HB3 LYS A 59 0.133 -6.526 3.675 1.00 4.12 H new ATOM 0 HG2 LYS A 59 0.102 -8.477 5.991 1.00 4.41 H new ATOM 0 HG3 LYS A 59 1.547 -8.227 5.032 1.00 4.41 H new ATOM 0 HD2 LYS A 59 1.749 -5.961 5.681 1.00 14.50 H new ATOM 0 HD3 LYS A 59 0.069 -5.848 6.169 1.00 14.50 H new ATOM 0 HE2 LYS A 59 0.694 -7.652 7.959 1.00 61.20 H new ATOM 0 HE3 LYS A 59 2.354 -7.217 7.607 1.00 61.20 H new ATOM 0 HZ1 LYS A 59 1.488 -5.944 9.458 1.00 63.00 H new ATOM 0 HZ2 LYS A 59 1.837 -4.910 8.157 1.00 63.00 H new ATOM 0 HZ3 LYS A 59 0.228 -5.332 8.499 1.00 63.00 H new ATOM 968 N CYS A 60 -2.516 -6.636 2.267 1.00 61.30 N ATOM 969 CA CYS A 60 -3.098 -5.757 1.258 1.00 40.10 C ATOM 970 C CYS A 60 -4.505 -5.318 1.656 1.00 11.40 C ATOM 971 O CYS A 60 -4.912 -4.188 1.388 1.00 72.30 O ATOM 972 CB CYS A 60 -3.136 -6.460 -0.100 1.00 54.40 C ATOM 973 SG CYS A 60 -4.215 -7.910 -0.153 1.00 32.30 S ATOM 0 H CYS A 60 -2.258 -7.561 1.923 1.00 61.30 H new ATOM 0 HA CYS A 60 -2.470 -4.869 1.184 1.00 40.10 H new ATOM 0 HB2 CYS A 60 -3.466 -5.748 -0.856 1.00 54.40 H new ATOM 0 HB3 CYS A 60 -2.124 -6.764 -0.368 1.00 54.40 H new ATOM 0 HG CYS A 60 -4.191 -8.511 0.999 1.00 32.30 H new ATOM 979 N VAL A 61 -5.244 -6.219 2.295 1.00 13.40 N ATOM 980 CA VAL A 61 -6.606 -5.922 2.726 1.00 60.40 C ATOM 981 C VAL A 61 -6.626 -4.814 3.775 1.00 42.40 C ATOM 982 O VAL A 61 -7.529 -3.978 3.790 1.00 62.10 O ATOM 983 CB VAL A 61 -7.297 -7.173 3.303 1.00 62.20 C ATOM 984 CG1 VAL A 61 -8.757 -6.882 3.616 1.00 12.00 C ATOM 985 CG2 VAL A 61 -7.175 -8.344 2.340 1.00 11.40 C ATOM 0 H VAL A 61 -4.924 -7.159 2.526 1.00 13.40 H new ATOM 0 HA VAL A 61 -7.150 -5.589 1.842 1.00 60.40 H new ATOM 0 HB VAL A 61 -6.797 -7.443 4.233 1.00 62.20 H new ATOM 0 HG11 VAL A 61 -9.227 -7.777 4.022 1.00 12.00 H new ATOM 0 HG12 VAL A 61 -8.819 -6.076 4.347 1.00 12.00 H new ATOM 0 HG13 VAL A 61 -9.272 -6.584 2.703 1.00 12.00 H new ATOM 0 HG21 VAL A 61 -7.669 -9.218 2.765 1.00 11.40 H new ATOM 0 HG22 VAL A 61 -7.647 -8.086 1.392 1.00 11.40 H new ATOM 0 HG23 VAL A 61 -6.122 -8.569 2.172 1.00 11.40 H new ATOM 995 N GLN A 62 -5.626 -4.814 4.650 1.00 23.00 N ATOM 996 CA GLN A 62 -5.533 -3.810 5.703 1.00 43.10 C ATOM 997 C GLN A 62 -5.093 -2.462 5.137 1.00 20.20 C ATOM 998 O GLN A 62 -5.541 -1.410 5.596 1.00 51.10 O ATOM 999 CB GLN A 62 -4.552 -4.264 6.785 1.00 33.30 C ATOM 1000 CG GLN A 62 -4.861 -3.701 8.162 1.00 43.10 C ATOM 1001 CD GLN A 62 -5.420 -4.745 9.109 1.00 41.50 C ATOM 1002 OE1 GLN A 62 -6.624 -4.998 9.131 1.00 22.50 O ATOM 1003 NE2 GLN A 62 -4.544 -5.358 9.897 1.00 24.10 N ATOM 0 H GLN A 62 -4.869 -5.498 4.651 1.00 23.00 H new ATOM 0 HA GLN A 62 -6.523 -3.693 6.144 1.00 43.10 H new ATOM 0 HB2 GLN A 62 -4.560 -5.353 6.837 1.00 33.30 H new ATOM 0 HB3 GLN A 62 -3.544 -3.966 6.498 1.00 33.30 H new ATOM 0 HG2 GLN A 62 -3.952 -3.278 8.590 1.00 43.10 H new ATOM 0 HG3 GLN A 62 -5.577 -2.885 8.064 1.00 43.10 H new ATOM 0 HE21 GLN A 62 -3.554 -5.116 9.845 1.00 24.10 H new ATOM 0 HE22 GLN A 62 -4.861 -6.071 10.554 1.00 24.10 H new ATOM 1012 N TYR A 63 -4.214 -2.500 4.142 1.00 33.30 N ATOM 1013 CA TYR A 63 -3.713 -1.281 3.518 1.00 75.40 C ATOM 1014 C TYR A 63 -4.796 -0.611 2.678 1.00 41.10 C ATOM 1015 O TYR A 63 -4.877 0.616 2.617 1.00 70.20 O ATOM 1016 CB TYR A 63 -2.496 -1.595 2.646 1.00 4.20 C ATOM 1017 CG TYR A 63 -1.255 -1.936 3.440 1.00 21.50 C ATOM 1018 CD1 TYR A 63 -0.824 -1.121 4.478 1.00 14.10 C ATOM 1019 CD2 TYR A 63 -0.515 -3.076 3.150 1.00 54.20 C ATOM 1020 CE1 TYR A 63 0.309 -1.430 5.205 1.00 74.20 C ATOM 1021 CE2 TYR A 63 0.619 -3.393 3.874 1.00 50.50 C ATOM 1022 CZ TYR A 63 1.027 -2.567 4.900 1.00 71.00 C ATOM 1023 OH TYR A 63 2.156 -2.879 5.623 1.00 32.40 O ATOM 0 H TYR A 63 -3.834 -3.362 3.750 1.00 33.30 H new ATOM 0 HA TYR A 63 -3.418 -0.593 4.310 1.00 75.40 H new ATOM 0 HB2 TYR A 63 -2.737 -2.430 1.988 1.00 4.20 H new ATOM 0 HB3 TYR A 63 -2.285 -0.737 2.008 1.00 4.20 H new ATOM 0 HD1 TYR A 63 -1.384 -0.230 4.721 1.00 14.10 H new ATOM 0 HD2 TYR A 63 -0.831 -3.725 2.346 1.00 54.20 H new ATOM 0 HE1 TYR A 63 0.631 -0.784 6.008 1.00 74.20 H new ATOM 0 HE2 TYR A 63 1.183 -4.283 3.637 1.00 50.50 H new ATOM 0 HH TYR A 63 2.543 -3.712 5.281 1.00 32.40 H new ATOM 1033 N LEU A 64 -5.625 -1.423 2.032 1.00 45.30 N ATOM 1034 CA LEU A 64 -6.702 -0.909 1.194 1.00 20.30 C ATOM 1035 C LEU A 64 -7.730 -0.150 2.028 1.00 5.31 C ATOM 1036 O LEU A 64 -8.372 0.782 1.544 1.00 63.50 O ATOM 1037 CB LEU A 64 -7.382 -2.055 0.440 1.00 41.00 C ATOM 1038 CG LEU A 64 -6.974 -2.195 -1.027 1.00 20.20 C ATOM 1039 CD1 LEU A 64 -7.190 -3.623 -1.508 1.00 32.00 C ATOM 1040 CD2 LEU A 64 -7.756 -1.217 -1.891 1.00 52.30 C ATOM 0 H LEU A 64 -5.572 -2.441 2.073 1.00 45.30 H new ATOM 0 HA LEU A 64 -6.267 -0.217 0.473 1.00 20.30 H new ATOM 0 HB2 LEU A 64 -7.160 -2.990 0.954 1.00 41.00 H new ATOM 0 HB3 LEU A 64 -8.462 -1.912 0.489 1.00 41.00 H new ATOM 0 HG LEU A 64 -5.913 -1.961 -1.114 1.00 20.20 H new ATOM 0 HD11 LEU A 64 -6.894 -3.703 -2.554 1.00 32.00 H new ATOM 0 HD12 LEU A 64 -6.588 -4.304 -0.907 1.00 32.00 H new ATOM 0 HD13 LEU A 64 -8.243 -3.885 -1.408 1.00 32.00 H new ATOM 0 HD21 LEU A 64 -7.454 -1.329 -2.932 1.00 52.30 H new ATOM 0 HD22 LEU A 64 -8.823 -1.422 -1.798 1.00 52.30 H new ATOM 0 HD23 LEU A 64 -7.553 -0.198 -1.562 1.00 52.30 H new ATOM 1052 N ASP A 65 -7.885 -0.558 3.284 1.00 4.12 N ATOM 1053 CA ASP A 65 -8.838 0.082 4.184 1.00 40.30 C ATOM 1054 C ASP A 65 -8.357 1.473 4.594 1.00 62.50 C ATOM 1055 O ASP A 65 -9.157 2.395 4.750 1.00 62.10 O ATOM 1056 CB ASP A 65 -9.057 -0.784 5.427 1.00 51.40 C ATOM 1057 CG ASP A 65 -10.500 -1.198 5.594 1.00 21.10 C ATOM 1058 OD1 ASP A 65 -11.110 -1.661 4.604 1.00 20.30 O ATOM 1059 OD2 ASP A 65 -11.030 -1.060 6.716 1.00 42.40 O ATOM 0 H ASP A 65 -7.363 -1.329 3.701 1.00 4.12 H new ATOM 0 HA ASP A 65 -9.784 0.190 3.653 1.00 40.30 H new ATOM 0 HB2 ASP A 65 -8.432 -1.674 5.361 1.00 51.40 H new ATOM 0 HB3 ASP A 65 -8.735 -0.234 6.311 1.00 51.40 H new ATOM 1064 N ARG A 66 -7.048 1.613 4.770 1.00 15.50 N ATOM 1065 CA ARG A 66 -6.463 2.890 5.166 1.00 0.30 C ATOM 1066 C ARG A 66 -6.581 3.919 4.044 1.00 33.10 C ATOM 1067 O ARG A 66 -6.884 5.086 4.290 1.00 72.00 O ATOM 1068 CB ARG A 66 -4.994 2.704 5.549 1.00 13.20 C ATOM 1069 CG ARG A 66 -4.477 3.763 6.510 1.00 34.10 C ATOM 1070 CD ARG A 66 -4.344 3.220 7.924 1.00 33.40 C ATOM 1071 NE ARG A 66 -5.426 3.680 8.792 1.00 4.41 N ATOM 1072 CZ ARG A 66 -5.373 3.654 10.122 1.00 2.15 C ATOM 1073 NH1 ARG A 66 -4.293 3.191 10.740 1.00 74.40 N ATOM 1074 NH2 ARG A 66 -6.401 4.091 10.836 1.00 21.30 N ATOM 0 H ARG A 66 -6.372 0.859 4.645 1.00 15.50 H new ATOM 0 HA ARG A 66 -7.015 3.259 6.030 1.00 0.30 H new ATOM 0 HB2 ARG A 66 -4.867 1.721 6.002 1.00 13.20 H new ATOM 0 HB3 ARG A 66 -4.387 2.719 4.644 1.00 13.20 H new ATOM 0 HG2 ARG A 66 -3.508 4.125 6.166 1.00 34.10 H new ATOM 0 HG3 ARG A 66 -5.155 4.617 6.510 1.00 34.10 H new ATOM 0 HD2 ARG A 66 -4.341 2.130 7.895 1.00 33.40 H new ATOM 0 HD3 ARG A 66 -3.387 3.530 8.343 1.00 33.40 H new ATOM 0 HE ARG A 66 -6.272 4.043 8.353 1.00 4.41 H new ATOM 0 HH11 ARG A 66 -3.499 2.853 10.196 1.00 74.40 H new ATOM 0 HH12 ARG A 66 -4.257 3.173 11.759 1.00 74.40 H new ATOM 0 HH21 ARG A 66 -7.233 4.447 10.366 1.00 21.30 H new ATOM 0 HH22 ARG A 66 -6.360 4.071 11.855 1.00 21.30 H new ATOM 1088 N ALA A 67 -6.337 3.478 2.815 1.00 30.10 N ATOM 1089 CA ALA A 67 -6.413 4.361 1.657 1.00 4.53 C ATOM 1090 C ALA A 67 -7.815 4.940 1.495 1.00 24.20 C ATOM 1091 O ALA A 67 -7.979 6.137 1.260 1.00 1.12 O ATOM 1092 CB ALA A 67 -6.000 3.616 0.397 1.00 23.00 C ATOM 0 H ALA A 67 -6.085 2.514 2.595 1.00 30.10 H new ATOM 0 HA ALA A 67 -5.724 5.190 1.820 1.00 4.53 H new ATOM 0 HB1 ALA A 67 -6.062 4.287 -0.459 1.00 23.00 H new ATOM 0 HB2 ALA A 67 -4.976 3.258 0.505 1.00 23.00 H new ATOM 0 HB3 ALA A 67 -6.666 2.767 0.241 1.00 23.00 H new ATOM 1098 N GLU A 68 -8.823 4.082 1.620 1.00 71.00 N ATOM 1099 CA GLU A 68 -10.210 4.509 1.484 1.00 23.00 C ATOM 1100 C GLU A 68 -10.550 5.588 2.505 1.00 31.10 C ATOM 1101 O GLU A 68 -11.370 6.466 2.243 1.00 74.20 O ATOM 1102 CB GLU A 68 -11.150 3.315 1.652 1.00 62.30 C ATOM 1103 CG GLU A 68 -11.300 2.482 0.391 1.00 2.31 C ATOM 1104 CD GLU A 68 -12.620 2.737 -0.315 1.00 1.24 C ATOM 1105 OE1 GLU A 68 -13.130 3.875 -0.229 1.00 42.40 O ATOM 1106 OE2 GLU A 68 -13.150 1.800 -0.953 1.00 74.50 O ATOM 0 H GLU A 68 -8.705 3.088 1.815 1.00 71.00 H new ATOM 0 HA GLU A 68 -10.340 4.927 0.486 1.00 23.00 H new ATOM 0 HB2 GLU A 68 -10.778 2.680 2.456 1.00 62.30 H new ATOM 0 HB3 GLU A 68 -12.132 3.676 1.959 1.00 62.30 H new ATOM 0 HG2 GLU A 68 -10.478 2.705 -0.289 1.00 2.31 H new ATOM 0 HG3 GLU A 68 -11.225 1.425 0.646 1.00 2.31 H new ATOM 1113 N LYS A 69 -9.922 5.516 3.672 1.00 64.40 N ATOM 1114 CA LYS A 69 -10.160 6.487 4.733 1.00 51.50 C ATOM 1115 C LYS A 69 -9.507 7.826 4.413 1.00 2.31 C ATOM 1116 O LYS A 69 -9.982 8.879 4.838 1.00 63.00 O ATOM 1117 CB LYS A 69 -9.637 5.955 6.067 1.00 35.20 C ATOM 1118 CG LYS A 69 -10.390 6.481 7.275 1.00 33.50 C ATOM 1119 CD LYS A 69 -9.687 7.674 7.901 1.00 12.40 C ATOM 1120 CE LYS A 69 -9.566 7.522 9.409 1.00 14.20 C ATOM 1121 NZ LYS A 69 -8.275 8.062 9.919 1.00 2.24 N ATOM 0 H LYS A 69 -9.242 4.793 3.908 1.00 64.40 H new ATOM 0 HA LYS A 69 -11.236 6.643 4.808 1.00 51.50 H new ATOM 0 HB2 LYS A 69 -9.694 4.867 6.061 1.00 35.20 H new ATOM 0 HB3 LYS A 69 -8.584 6.218 6.164 1.00 35.20 H new ATOM 0 HG2 LYS A 69 -11.399 6.768 6.978 1.00 33.50 H new ATOM 0 HG3 LYS A 69 -10.489 5.687 8.016 1.00 33.50 H new ATOM 0 HD2 LYS A 69 -8.694 7.783 7.465 1.00 12.40 H new ATOM 0 HD3 LYS A 69 -10.238 8.585 7.669 1.00 12.40 H new ATOM 0 HE2 LYS A 69 -10.393 8.040 9.894 1.00 14.20 H new ATOM 0 HE3 LYS A 69 -9.650 6.468 9.676 1.00 14.20 H new ATOM 0 HZ1 LYS A 69 -8.231 7.940 10.951 1.00 2.24 H new ATOM 0 HZ2 LYS A 69 -7.485 7.551 9.476 1.00 2.24 H new ATOM 0 HZ3 LYS A 69 -8.206 9.073 9.687 1.00 2.24 H new ATOM 1135 N LEU A 70 -8.410 7.778 3.663 1.00 41.30 N ATOM 1136 CA LEU A 70 -7.686 8.988 3.289 1.00 14.50 C ATOM 1137 C LEU A 70 -8.471 9.802 2.264 1.00 5.03 C ATOM 1138 O LEU A 70 -8.661 11.008 2.429 1.00 2.10 O ATOM 1139 CB LEU A 70 -6.310 8.629 2.725 1.00 5.01 C ATOM 1140 CG LEU A 70 -5.367 7.935 3.709 1.00 25.10 C ATOM 1141 CD1 LEU A 70 -4.159 7.366 2.981 1.00 31.10 C ATOM 1142 CD2 LEU A 70 -4.930 8.901 4.798 1.00 63.50 C ATOM 0 H LEU A 70 -8.003 6.915 3.303 1.00 41.30 H new ATOM 0 HA LEU A 70 -7.559 9.595 4.185 1.00 14.50 H new ATOM 0 HB2 LEU A 70 -6.447 7.982 1.859 1.00 5.01 H new ATOM 0 HB3 LEU A 70 -5.831 9.541 2.369 1.00 5.01 H new ATOM 0 HG LEU A 70 -5.904 7.110 4.177 1.00 25.10 H new ATOM 0 HD11 LEU A 70 -3.500 6.876 3.698 1.00 31.10 H new ATOM 0 HD12 LEU A 70 -4.490 6.640 2.238 1.00 31.10 H new ATOM 0 HD13 LEU A 70 -3.620 8.173 2.485 1.00 31.10 H new ATOM 0 HD21 LEU A 70 -4.259 8.391 5.489 1.00 63.50 H new ATOM 0 HD22 LEU A 70 -4.411 9.747 4.347 1.00 63.50 H new ATOM 0 HD23 LEU A 70 -5.806 9.259 5.339 1.00 63.50 H new ATOM 1154 N LYS A 71 -8.921 9.137 1.205 1.00 23.40 N ATOM 1155 CA LYS A 71 -9.681 9.801 0.152 1.00 74.30 C ATOM 1156 C LYS A 71 -11.010 10.311 0.677 1.00 72.30 C ATOM 1157 O LYS A 71 -11.530 11.324 0.208 1.00 62.20 O ATOM 1158 CB LYS A 71 -9.912 8.844 -1.019 1.00 41.40 C ATOM 1159 CG LYS A 71 -10.580 7.542 -0.615 1.00 14.30 C ATOM 1160 CD LYS A 71 -11.620 7.112 -1.636 1.00 60.00 C ATOM 1161 CE LYS A 71 -11.060 6.084 -2.606 1.00 41.30 C ATOM 1162 NZ LYS A 71 -11.710 6.173 -3.945 1.00 74.30 N ATOM 0 H LYS A 71 -8.773 8.139 1.053 1.00 23.40 H new ATOM 0 HA LYS A 71 -9.100 10.656 -0.195 1.00 74.30 H new ATOM 0 HB2 LYS A 71 -10.528 9.342 -1.768 1.00 41.40 H new ATOM 0 HB3 LYS A 71 -8.955 8.621 -1.490 1.00 41.40 H new ATOM 0 HG2 LYS A 71 -9.826 6.762 -0.511 1.00 14.30 H new ATOM 0 HG3 LYS A 71 -11.053 7.661 0.360 1.00 14.30 H new ATOM 0 HD2 LYS A 71 -12.485 6.694 -1.121 1.00 60.00 H new ATOM 0 HD3 LYS A 71 -11.969 7.983 -2.190 1.00 60.00 H new ATOM 0 HE2 LYS A 71 -9.986 6.233 -2.713 1.00 41.30 H new ATOM 0 HE3 LYS A 71 -11.204 5.083 -2.198 1.00 41.30 H new ATOM 0 HZ1 LYS A 71 -11.301 5.456 -4.578 1.00 74.30 H new ATOM 0 HZ2 LYS A 71 -12.732 6.006 -3.847 1.00 74.30 H new ATOM 0 HZ3 LYS A 71 -11.551 7.119 -4.346 1.00 74.30 H new ATOM 1176 N ASP A 72 -11.570 9.603 1.653 1.00 74.40 N ATOM 1177 CA ASP A 72 -12.850 9.984 2.241 1.00 71.50 C ATOM 1178 C ASP A 72 -12.720 11.269 3.053 1.00 53.20 C ATOM 1179 O ASP A 72 -13.680 12.031 3.182 1.00 54.30 O ATOM 1180 CB ASP A 72 -13.380 8.857 3.128 1.00 40.20 C ATOM 1181 CG ASP A 72 -14.290 7.905 2.373 1.00 34.40 C ATOM 1182 OD1 ASP A 72 -13.770 6.946 1.767 1.00 4.42 O ATOM 1183 OD2 ASP A 72 -15.520 8.120 2.388 1.00 63.10 O ATOM 0 H ASP A 72 -11.157 8.761 2.054 1.00 74.40 H new ATOM 0 HA ASP A 72 -13.555 10.162 1.429 1.00 71.50 H new ATOM 0 HB2 ASP A 72 -12.540 8.300 3.543 1.00 40.20 H new ATOM 0 HB3 ASP A 72 -13.925 9.286 3.969 1.00 40.20 H new ATOM 1188 N TYR A 73 -11.530 11.501 3.602 1.00 62.10 N ATOM 1189 CA TYR A 73 -11.290 12.693 4.405 1.00 3.41 C ATOM 1190 C TYR A 73 -11.090 13.922 3.521 1.00 31.20 C ATOM 1191 O TYR A 73 -11.710 14.960 3.742 1.00 55.50 O ATOM 1192 CB TYR A 73 -10.050 12.487 5.289 1.00 44.10 C ATOM 1193 CG TYR A 73 -9.732 13.677 6.163 1.00 4.21 C ATOM 1194 CD1 TYR A 73 -8.988 14.741 5.670 1.00 51.30 C ATOM 1195 CD2 TYR A 73 -10.160 13.736 7.481 1.00 43.10 C ATOM 1196 CE1 TYR A 73 -8.688 15.831 6.465 1.00 51.20 C ATOM 1197 CE2 TYR A 73 -9.873 14.823 8.282 1.00 15.20 C ATOM 1198 CZ TYR A 73 -9.132 15.867 7.770 1.00 33.40 C ATOM 1199 OH TYR A 73 -8.836 16.950 8.565 1.00 64.30 O ATOM 0 H TYR A 73 -10.724 10.884 3.506 1.00 62.10 H new ATOM 0 HA TYR A 73 -12.165 12.860 5.033 1.00 3.41 H new ATOM 0 HB2 TYR A 73 -10.205 11.612 5.921 1.00 44.10 H new ATOM 0 HB3 TYR A 73 -9.191 12.273 4.653 1.00 44.10 H new ATOM 0 HD1 TYR A 73 -8.638 14.716 4.649 1.00 51.30 H new ATOM 0 HD2 TYR A 73 -10.730 12.914 7.889 1.00 43.10 H new ATOM 0 HE1 TYR A 73 -8.109 16.651 6.066 1.00 51.20 H new ATOM 0 HE2 TYR A 73 -10.226 14.855 9.302 1.00 15.20 H new ATOM 0 HH TYR A 73 -9.224 16.818 9.455 1.00 64.30 H new ATOM 1209 N LEU A 74 -10.220 13.800 2.524 1.00 25.50 N ATOM 1210 CA LEU A 74 -9.950 14.905 1.613 1.00 24.10 C ATOM 1211 C LEU A 74 -11.170 15.236 0.762 1.00 54.30 C ATOM 1212 O LEU A 74 -11.470 16.405 0.515 1.00 72.40 O ATOM 1213 CB LEU A 74 -8.761 14.567 0.710 1.00 31.10 C ATOM 1214 CG LEU A 74 -8.900 13.269 -0.087 1.00 23.40 C ATOM 1215 CD1 LEU A 74 -9.513 13.544 -1.452 1.00 12.30 C ATOM 1216 CD2 LEU A 74 -7.546 12.589 -0.235 1.00 21.20 C ATOM 0 H LEU A 74 -9.692 12.950 2.327 1.00 25.50 H new ATOM 0 HA LEU A 74 -9.709 15.781 2.215 1.00 24.10 H new ATOM 0 HB2 LEU A 74 -8.610 15.390 0.011 1.00 31.10 H new ATOM 0 HB3 LEU A 74 -7.864 14.503 1.326 1.00 31.10 H new ATOM 0 HG LEU A 74 -9.564 12.598 0.458 1.00 23.40 H new ATOM 0 HD11 LEU A 74 -9.604 12.609 -2.005 1.00 12.30 H new ATOM 0 HD12 LEU A 74 -10.500 13.988 -1.325 1.00 12.30 H new ATOM 0 HD13 LEU A 74 -8.874 14.232 -2.006 1.00 12.30 H new ATOM 0 HD21 LEU A 74 -7.662 11.667 -0.804 1.00 21.20 H new ATOM 0 HD22 LEU A 74 -6.860 13.255 -0.758 1.00 21.20 H new ATOM 0 HD23 LEU A 74 -7.145 12.358 0.752 1.00 21.20 H new ATOM 1228 N ARG A 75 -11.870 14.202 0.317 1.00 64.30 N ATOM 1229 CA ARG A 75 -13.060 14.388 -0.506 1.00 53.40 C ATOM 1230 C ARG A 75 -14.170 15.084 0.283 1.00 30.00 C ATOM 1231 O ARG A 75 -14.820 15.996 -0.222 1.00 3.14 O ATOM 1232 CB ARG A 75 -13.570 13.041 -1.030 1.00 72.30 C ATOM 1233 CG ARG A 75 -12.790 12.530 -2.236 1.00 21.50 C ATOM 1234 CD ARG A 75 -13.720 11.977 -3.307 1.00 61.30 C ATOM 1235 NE ARG A 75 -13.490 12.599 -4.608 1.00 1.22 N ATOM 1236 CZ ARG A 75 -13.940 13.806 -4.944 1.00 52.20 C ATOM 1237 NH1 ARG A 75 -14.640 14.523 -4.079 1.00 50.50 N ATOM 1238 NH2 ARG A 75 -13.680 14.298 -6.147 1.00 53.30 N ATOM 0 H ARG A 75 -11.637 13.228 0.510 1.00 64.30 H new ATOM 0 HA ARG A 75 -12.782 15.019 -1.351 1.00 53.40 H new ATOM 0 HB2 ARG A 75 -13.514 12.303 -0.230 1.00 72.30 H new ATOM 0 HB3 ARG A 75 -14.621 13.138 -1.300 1.00 72.30 H new ATOM 0 HG2 ARG A 75 -12.192 13.340 -2.654 1.00 21.50 H new ATOM 0 HG3 ARG A 75 -12.095 11.752 -1.919 1.00 21.50 H new ATOM 0 HD2 ARG A 75 -13.577 10.900 -3.390 1.00 61.30 H new ATOM 0 HD3 ARG A 75 -14.755 12.138 -3.006 1.00 61.30 H new ATOM 0 HE ARG A 75 -12.953 12.078 -5.301 1.00 1.22 H new ATOM 0 HH11 ARG A 75 -14.837 14.151 -3.150 1.00 50.50 H new ATOM 0 HH12 ARG A 75 -14.982 15.447 -4.342 1.00 50.50 H new ATOM 0 HH21 ARG A 75 -13.135 13.752 -6.815 1.00 53.30 H new ATOM 0 HH22 ARG A 75 -14.024 15.223 -6.405 1.00 53.30 H new ATOM 1252 N SER A 76 -14.370 14.649 1.522 1.00 3.02 N ATOM 1253 CA SER A 76 -15.400 15.232 2.380 1.00 32.20 C ATOM 1254 C SER A 76 -15.030 16.661 2.767 1.00 0.25 C ATOM 1255 O SER A 76 -15.880 17.556 2.738 1.00 62.40 O ATOM 1256 CB SER A 76 -15.580 14.382 3.637 1.00 21.10 C ATOM 1257 OG SER A 76 -14.400 14.370 4.425 1.00 10.10 O ATOM 0 H SER A 76 -13.835 13.897 1.956 1.00 3.02 H new ATOM 0 HA SER A 76 -16.339 15.253 1.826 1.00 32.20 H new ATOM 0 HB2 SER A 76 -16.410 14.772 4.227 1.00 21.10 H new ATOM 0 HB3 SER A 76 -15.842 13.362 3.355 1.00 21.10 H new ATOM 0 HG SER A 76 -13.829 13.624 4.147 1.00 10.10 H new ATOM 1263 N LYS A 77 -13.770 16.868 3.130 1.00 35.10 N ATOM 1264 CA LYS A 77 -13.300 18.189 3.524 1.00 5.34 C ATOM 1265 C LYS A 77 -12.920 19.020 2.301 1.00 14.10 C ATOM 1266 O LYS A 77 -12.800 20.255 2.442 1.00 40.20 O ATOM 1267 CB LYS A 77 -12.090 18.063 4.456 1.00 52.10 C ATOM 1268 CG LYS A 77 -11.730 19.359 5.163 1.00 63.30 C ATOM 1269 CD LYS A 77 -10.310 19.328 5.695 1.00 51.30 C ATOM 1270 CE LYS A 77 -9.773 20.730 5.926 1.00 73.10 C ATOM 1271 NZ LYS A 77 -9.878 21.137 7.355 1.00 2.33 N ATOM 1272 OXT LYS A 77 -12.760 18.430 1.213 1.00 36.60 O ATOM 0 H LYS A 77 -13.057 16.139 3.160 1.00 35.10 H new ATOM 0 HA LYS A 77 -14.111 18.693 4.049 1.00 5.34 H new ATOM 0 HB2 LYS A 77 -12.295 17.296 5.203 1.00 52.10 H new ATOM 0 HB3 LYS A 77 -11.231 17.723 3.878 1.00 52.10 H new ATOM 0 HG2 LYS A 77 -11.842 20.195 4.472 1.00 63.30 H new ATOM 0 HG3 LYS A 77 -12.424 19.530 5.986 1.00 63.30 H new ATOM 0 HD2 LYS A 77 -10.282 18.768 6.630 1.00 51.30 H new ATOM 0 HD3 LYS A 77 -9.667 18.802 4.989 1.00 51.30 H new ATOM 0 HE2 LYS A 77 -8.730 20.776 5.611 1.00 73.10 H new ATOM 0 HE3 LYS A 77 -10.324 21.437 5.306 1.00 73.10 H new ATOM 0 HZ1 LYS A 77 -9.501 22.099 7.470 1.00 2.33 H new ATOM 0 HZ2 LYS A 77 -10.875 21.118 7.649 1.00 2.33 H new ATOM 0 HZ3 LYS A 77 -9.331 20.478 7.945 1.00 2.33 H new TER 1286 LYS A 77