USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 752 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 63 GLN : amide:sc= -1.4! C(o=-0.74!,f=-4.6!) USER MOD Set 1.2: A 65 SER OG : rot 117:sc= 0.657 USER MOD Set 2.1: A 50 THR OG1 : rot 160:sc= -0.529 USER MOD Set 2.2: A 55 SER OG : rot -21:sc= -6.35! USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0.116 USER MOD Set 3.2: A 90 GLN : amide:sc= -2.1! X(o=-2!,f=-1.7) USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -0.277 USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0.0432 USER MOD Set 5.1: A -3 THR OG1 : rot -160:sc= -0.585 USER MOD Set 5.2: A -6 SER OG : rot -80:sc= -2.94! USER MOD Single : A 4 THR OG1 : rot 180:sc= -5.66! USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0.0674 (180deg=0.0614) USER MOD Single : A 8 SER OG : rot 100:sc= -1.7! USER MOD Single : A 9 MET CE :methyl -118:sc= -3.26 (180deg=-9.2!) USER MOD Single : A -4 THR OG1 : rot -63:sc= 0.0887 USER MOD Single : A -5 LYS NZ :NH3+ -119:sc= -0.0946 (180deg=-0.609) USER MOD Single : A -6 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.154 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -115:sc= 0.367 USER MOD Single : A 23 THR OG1 : rot 8:sc= 0.561! USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00901 USER MOD Single : A 32 THR OG1 : rot 120:sc= 0.0868 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc=0.000822 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.031) USER MOD Single : A 41 SER OG : rot 58:sc= 0.356 USER MOD Single : A 42 THR OG1 : rot -21:sc= 0.469 USER MOD Single : A 43 SER OG : rot 180:sc= -0.574 USER MOD Single : A 46 HIS : no HE2:sc= -2.97! C(o=-3!,f=-6.8!) USER MOD Single : A 47 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.33) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00288 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.67! USER MOD Single : A 60 SER OG : rot -97:sc= -0.261 USER MOD Single : A 61 SER OG : rot -42:sc= 0.0813 USER MOD Single : A 69 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 70 TYR OH : rot -113:sc= 0.806 USER MOD Single : A 71 SER OG : rot 131:sc= -4.12! USER MOD Single : A 76 ASN : amide:sc= -6.09! C(o=-6.1!,f=-4.5!) USER MOD Single : A 77 SER OG : rot -147:sc= -0.943 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.5) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -6 25.315 0.212 -0.723 1.00 0.00 N ATOM 2 CA SER A -6 25.252 0.839 0.629 1.00 0.00 C ATOM 3 C SER A -6 25.248 -0.243 1.712 1.00 0.00 C ATOM 4 O SER A -6 24.372 -1.084 1.756 1.00 0.00 O ATOM 5 CB SER A -6 23.934 1.623 0.641 1.00 0.00 C ATOM 6 OG SER A -6 23.318 1.517 1.922 1.00 0.00 O ATOM 0 H1 SER A -6 25.317 0.955 -1.451 1.00 0.00 H new ATOM 0 H2 SER A -6 26.184 -0.354 -0.803 1.00 0.00 H new ATOM 0 H3 SER A -6 24.488 -0.403 -0.859 1.00 0.00 H new ATOM 0 HA SER A -6 26.109 1.483 0.829 1.00 0.00 H new ATOM 0 HB2 SER A -6 24.122 2.670 0.404 1.00 0.00 H new ATOM 0 HB3 SER A -6 23.264 1.237 -0.127 1.00 0.00 H new ATOM 0 HG SER A -6 22.852 0.658 1.991 1.00 0.00 H new ATOM 12 N LYS A -5 26.211 -0.222 2.593 1.00 0.00 N ATOM 13 CA LYS A -5 26.248 -1.250 3.682 1.00 0.00 C ATOM 14 C LYS A -5 24.877 -1.327 4.372 1.00 0.00 C ATOM 15 O LYS A -5 24.013 -2.076 3.956 1.00 0.00 O ATOM 16 CB LYS A -5 27.354 -0.819 4.675 1.00 0.00 C ATOM 17 CG LYS A -5 27.441 0.712 4.807 1.00 0.00 C ATOM 18 CD LYS A -5 27.462 1.097 6.282 1.00 0.00 C ATOM 19 CE LYS A -5 28.910 1.233 6.757 1.00 0.00 C ATOM 20 NZ LYS A -5 29.393 2.508 6.156 1.00 0.00 N ATOM 0 H LYS A -5 26.972 0.457 2.609 1.00 0.00 H new ATOM 0 HA LYS A -5 26.467 -2.242 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A -5 27.155 -1.257 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A -5 28.315 -1.210 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A -5 28.340 1.079 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A -5 26.590 1.179 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A -5 26.930 2.037 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A -5 26.944 0.341 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A -5 28.968 1.262 7.845 1.00 0.00 H new ATOM 0 HE3 LYS A -5 29.515 0.388 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A -5 30.197 2.312 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A -5 28.625 2.947 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A -5 29.694 3.156 6.912 1.00 0.00 H new ATOM 34 N THR A -4 24.655 -0.561 5.405 1.00 0.00 N ATOM 35 CA THR A -4 23.330 -0.603 6.085 1.00 0.00 C ATOM 36 C THR A -4 23.050 0.736 6.773 1.00 0.00 C ATOM 37 O THR A -4 22.894 0.808 7.976 1.00 0.00 O ATOM 38 CB THR A -4 23.437 -1.738 7.107 1.00 0.00 C ATOM 39 OG1 THR A -4 22.165 -1.953 7.703 1.00 0.00 O ATOM 40 CG2 THR A -4 24.456 -1.371 8.187 1.00 0.00 C ATOM 0 H THR A -4 25.331 0.089 5.806 1.00 0.00 H new ATOM 0 HA THR A -4 22.510 -0.773 5.387 1.00 0.00 H new ATOM 0 HB THR A -4 23.765 -2.648 6.605 1.00 0.00 H new ATOM 0 HG1 THR A -4 21.894 -1.150 8.195 1.00 0.00 H new ATOM 0 HG21 THR A -4 24.527 -2.183 8.911 1.00 0.00 H new ATOM 0 HG22 THR A -4 25.431 -1.208 7.727 1.00 0.00 H new ATOM 0 HG23 THR A -4 24.137 -0.460 8.694 1.00 0.00 H new ATOM 48 N THR A -3 22.985 1.797 6.016 1.00 0.00 N ATOM 49 CA THR A -3 22.715 3.133 6.621 1.00 0.00 C ATOM 50 C THR A -3 21.457 3.076 7.492 1.00 0.00 C ATOM 51 O THR A -3 21.410 3.631 8.571 1.00 0.00 O ATOM 52 CB THR A -3 22.497 4.065 5.427 1.00 0.00 C ATOM 53 OG1 THR A -3 23.537 3.867 4.479 1.00 0.00 O ATOM 54 CG2 THR A -3 22.506 5.516 5.904 1.00 0.00 C ATOM 0 H THR A -3 23.107 1.797 5.003 1.00 0.00 H new ATOM 0 HA THR A -3 23.529 3.470 7.263 1.00 0.00 H new ATOM 0 HB THR A -3 21.536 3.845 4.962 1.00 0.00 H new ATOM 0 HG1 THR A -3 23.594 4.647 3.888 1.00 0.00 H new ATOM 0 HG21 THR A -3 22.351 6.180 5.053 1.00 0.00 H new ATOM 0 HG22 THR A -3 21.708 5.665 6.631 1.00 0.00 H new ATOM 0 HG23 THR A -3 23.466 5.740 6.369 1.00 0.00 H new ATOM 62 N LEU A -2 20.438 2.410 7.026 1.00 0.00 N ATOM 63 CA LEU A -2 19.176 2.317 7.829 1.00 0.00 C ATOM 64 C LEU A -2 18.315 1.114 7.405 1.00 0.00 C ATOM 65 O LEU A -2 17.188 0.970 7.836 1.00 0.00 O ATOM 66 CB LEU A -2 18.445 3.657 7.592 1.00 0.00 C ATOM 67 CG LEU A -2 17.732 3.719 6.219 1.00 0.00 C ATOM 68 CD1 LEU A -2 18.607 3.135 5.107 1.00 0.00 C ATOM 69 CD2 LEU A -2 16.412 2.948 6.278 1.00 0.00 C ATOM 0 H LEU A -2 20.419 1.926 6.128 1.00 0.00 H new ATOM 0 HA LEU A -2 19.385 2.155 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A -2 17.712 3.810 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A -2 19.163 4.474 7.660 1.00 0.00 H new ATOM 0 HG LEU A -2 17.540 4.768 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A -2 18.076 3.194 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A -2 19.536 3.701 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A -2 18.833 2.093 5.332 1.00 0.00 H new ATOM 0 HD21 LEU A -2 15.918 2.998 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A -2 16.610 1.907 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A -2 15.766 3.390 7.037 1.00 0.00 H new ATOM 81 N ALA A -1 18.831 0.245 6.579 1.00 0.00 N ATOM 82 CA ALA A -1 18.052 -0.934 6.139 1.00 0.00 C ATOM 83 C ALA A -1 16.730 -0.475 5.517 1.00 0.00 C ATOM 84 O ALA A -1 16.689 -0.045 4.380 1.00 0.00 O ATOM 85 CB ALA A -1 17.848 -1.763 7.415 1.00 0.00 C ATOM 0 H ALA A -1 19.771 0.308 6.189 1.00 0.00 H new ATOM 0 HA ALA A -1 18.551 -1.525 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.276 -2.660 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.818 -2.048 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.305 -1.170 8.151 1.00 0.00 H new ATOM 91 N ALA A 0 15.658 -0.563 6.241 1.00 0.00 N ATOM 92 CA ALA A 0 14.340 -0.133 5.694 1.00 0.00 C ATOM 93 C ALA A 0 13.429 0.332 6.832 1.00 0.00 C ATOM 94 O ALA A 0 13.189 -0.391 7.779 1.00 0.00 O ATOM 95 CB ALA A 0 13.766 -1.379 5.021 1.00 0.00 C ATOM 0 H ALA A 0 15.633 -0.917 7.197 1.00 0.00 H new ATOM 0 HA ALA A 0 14.430 0.700 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 0 12.792 -1.145 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.441 -1.710 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.655 -2.173 5.759 1.00 0.00 H new ATOM 101 N ARG A 1 12.916 1.526 6.750 1.00 0.00 N ATOM 102 CA ARG A 1 12.018 2.020 7.832 1.00 0.00 C ATOM 103 C ARG A 1 10.891 2.858 7.232 1.00 0.00 C ATOM 104 O ARG A 1 11.009 3.385 6.144 1.00 0.00 O ATOM 105 CB ARG A 1 12.911 2.876 8.729 1.00 0.00 C ATOM 106 CG ARG A 1 13.487 4.038 7.919 1.00 0.00 C ATOM 107 CD ARG A 1 13.354 5.332 8.723 1.00 0.00 C ATOM 108 NE ARG A 1 14.727 5.909 8.752 1.00 0.00 N ATOM 109 CZ ARG A 1 14.932 7.080 9.290 1.00 0.00 C ATOM 110 NH1 ARG A 1 14.975 7.204 10.588 1.00 0.00 N ATOM 111 NH2 ARG A 1 15.096 8.127 8.528 1.00 0.00 N ATOM 0 H ARG A 1 13.078 2.180 5.984 1.00 0.00 H new ATOM 0 HA ARG A 1 11.549 1.208 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.337 3.257 9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.719 2.270 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.534 3.848 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.960 4.131 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.647 6.017 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.987 5.135 9.730 1.00 0.00 H new ATOM 0 HE ARG A 1 15.507 5.389 8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.848 6.385 11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.135 8.120 11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.064 8.029 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.256 9.043 8.947 1.00 0.00 H new ATOM 125 N ILE A 2 9.799 2.991 7.931 1.00 0.00 N ATOM 126 CA ILE A 2 8.676 3.799 7.388 1.00 0.00 C ATOM 127 C ILE A 2 8.505 5.085 8.195 1.00 0.00 C ATOM 128 O ILE A 2 8.371 5.078 9.402 1.00 0.00 O ATOM 129 CB ILE A 2 7.438 2.902 7.482 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.571 1.785 6.438 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.173 3.731 7.201 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.266 0.990 6.334 1.00 0.00 C ATOM 0 H ILE A 2 9.637 2.577 8.849 1.00 0.00 H new ATOM 0 HA ILE A 2 8.853 4.109 6.358 1.00 0.00 H new ATOM 0 HB ILE A 2 7.360 2.473 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.821 2.214 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.389 1.119 6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.295 3.089 7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.093 4.533 7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.233 4.159 6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.378 0.202 5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.033 0.544 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.456 1.657 6.038 1.00 0.00 H new ATOM 144 N LEU A 3 8.514 6.182 7.508 1.00 0.00 N ATOM 145 CA LEU A 3 8.360 7.510 8.156 1.00 0.00 C ATOM 146 C LEU A 3 6.878 7.874 8.236 1.00 0.00 C ATOM 147 O LEU A 3 6.342 8.144 9.292 1.00 0.00 O ATOM 148 CB LEU A 3 9.099 8.439 7.199 1.00 0.00 C ATOM 149 CG LEU A 3 9.122 9.859 7.746 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.532 10.425 7.576 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.125 10.716 6.961 1.00 0.00 C ATOM 0 H LEU A 3 8.625 6.218 6.495 1.00 0.00 H new ATOM 0 HA LEU A 3 8.744 7.557 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.119 8.083 7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.613 8.427 6.223 1.00 0.00 H new ATOM 0 HG LEU A 3 8.847 9.862 8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.565 11.443 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.241 9.805 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.797 10.431 6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.137 11.735 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.404 10.725 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.124 10.299 7.068 1.00 0.00 H new ATOM 163 N THR A 4 6.220 7.864 7.117 1.00 0.00 N ATOM 164 CA THR A 4 4.766 8.185 7.086 1.00 0.00 C ATOM 165 C THR A 4 4.009 7.038 6.420 1.00 0.00 C ATOM 166 O THR A 4 4.452 6.478 5.437 1.00 0.00 O ATOM 167 CB THR A 4 4.649 9.455 6.240 1.00 0.00 C ATOM 168 OG1 THR A 4 5.472 10.470 6.796 1.00 0.00 O ATOM 169 CG2 THR A 4 3.195 9.926 6.224 1.00 0.00 C ATOM 0 H THR A 4 6.630 7.645 6.209 1.00 0.00 H new ATOM 0 HA THR A 4 4.350 8.326 8.083 1.00 0.00 H new ATOM 0 HB THR A 4 4.971 9.244 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.399 11.283 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.112 10.830 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.565 9.146 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.870 10.138 7.243 1.00 0.00 H new ATOM 177 N LYS A 5 2.877 6.676 6.944 1.00 0.00 N ATOM 178 CA LYS A 5 2.105 5.566 6.340 1.00 0.00 C ATOM 179 C LYS A 5 0.893 6.138 5.588 1.00 0.00 C ATOM 180 O LYS A 5 0.668 7.331 5.608 1.00 0.00 O ATOM 181 CB LYS A 5 1.674 4.702 7.533 1.00 0.00 C ATOM 182 CG LYS A 5 2.898 4.345 8.384 1.00 0.00 C ATOM 183 CD LYS A 5 2.484 3.377 9.495 1.00 0.00 C ATOM 184 CE LYS A 5 3.588 3.314 10.555 1.00 0.00 C ATOM 185 NZ LYS A 5 3.632 1.887 10.984 1.00 0.00 N ATOM 0 H LYS A 5 2.453 7.103 7.767 1.00 0.00 H new ATOM 0 HA LYS A 5 2.675 4.984 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.943 5.239 8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.188 3.793 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.668 3.891 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.329 5.248 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.548 3.705 9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.306 2.385 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.547 3.632 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.366 3.972 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.293 1.784 11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.682 1.584 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.951 1.296 10.190 1.00 0.00 H new ATOM 199 N PRO A 6 0.156 5.275 4.938 1.00 0.00 N ATOM 200 CA PRO A 6 -1.025 5.726 4.171 1.00 0.00 C ATOM 201 C PRO A 6 -2.220 5.931 5.118 1.00 0.00 C ATOM 202 O PRO A 6 -2.287 5.343 6.180 1.00 0.00 O ATOM 203 CB PRO A 6 -1.253 4.586 3.181 1.00 0.00 C ATOM 204 CG PRO A 6 -0.652 3.369 3.816 1.00 0.00 C ATOM 205 CD PRO A 6 0.343 3.824 4.857 1.00 0.00 C ATOM 0 HA PRO A 6 -0.892 6.682 3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.316 4.442 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.781 4.800 2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.428 2.756 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.160 2.751 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.157 3.346 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.363 3.571 4.568 1.00 0.00 H new ATOM 213 N ARG A 7 -3.145 6.789 4.764 1.00 0.00 N ATOM 214 CA ARG A 7 -4.307 7.060 5.672 1.00 0.00 C ATOM 215 C ARG A 7 -5.521 6.178 5.348 1.00 0.00 C ATOM 216 O ARG A 7 -6.625 6.457 5.772 1.00 0.00 O ATOM 217 CB ARG A 7 -4.648 8.531 5.438 1.00 0.00 C ATOM 218 CG ARG A 7 -5.103 8.731 3.991 1.00 0.00 C ATOM 219 CD ARG A 7 -6.444 9.468 3.977 1.00 0.00 C ATOM 220 NE ARG A 7 -6.087 10.914 3.926 1.00 0.00 N ATOM 221 CZ ARG A 7 -6.568 11.738 4.817 1.00 0.00 C ATOM 222 NH1 ARG A 7 -6.235 11.610 6.073 1.00 0.00 N ATOM 223 NH2 ARG A 7 -7.382 12.691 4.453 1.00 0.00 N ATOM 0 H ARG A 7 -3.148 7.313 3.889 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.052 6.838 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.435 8.845 6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.777 9.153 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.356 9.302 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.200 7.767 3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.045 9.179 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.031 9.237 4.866 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.466 11.260 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.599 10.866 6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.611 12.254 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.643 12.792 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.758 13.335 5.149 1.00 0.00 H new ATOM 237 N SER A 8 -5.333 5.114 4.624 1.00 0.00 N ATOM 238 CA SER A 8 -6.482 4.213 4.299 1.00 0.00 C ATOM 239 C SER A 8 -7.696 5.011 3.804 1.00 0.00 C ATOM 240 O SER A 8 -7.593 6.172 3.471 1.00 0.00 O ATOM 241 CB SER A 8 -6.836 3.503 5.604 1.00 0.00 C ATOM 242 OG SER A 8 -5.908 3.850 6.627 1.00 0.00 O ATOM 0 H SER A 8 -4.434 4.824 4.240 1.00 0.00 H new ATOM 0 HA SER A 8 -6.212 3.516 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.845 3.777 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.831 2.424 5.451 1.00 0.00 H new ATOM 0 HG SER A 8 -6.299 4.539 7.204 1.00 0.00 H new ATOM 248 N MET A 9 -8.848 4.385 3.761 1.00 0.00 N ATOM 249 CA MET A 9 -10.079 5.085 3.291 1.00 0.00 C ATOM 250 C MET A 9 -11.305 4.186 3.450 1.00 0.00 C ATOM 251 O MET A 9 -11.218 3.062 3.904 1.00 0.00 O ATOM 252 CB MET A 9 -9.840 5.336 1.812 1.00 0.00 C ATOM 253 CG MET A 9 -10.348 6.726 1.423 1.00 0.00 C ATOM 254 SD MET A 9 -9.444 8.001 2.338 1.00 0.00 S ATOM 255 CE MET A 9 -8.145 8.274 1.111 1.00 0.00 C ATOM 0 H MET A 9 -8.986 3.412 4.034 1.00 0.00 H new ATOM 0 HA MET A 9 -10.263 5.997 3.858 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.776 5.254 1.589 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.349 4.576 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.223 6.880 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.415 6.804 1.634 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.177 8.020 1.543 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.329 7.645 0.240 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.144 9.321 0.809 1.00 0.00 H new ATOM 265 N THR A 10 -12.445 4.674 3.053 1.00 0.00 N ATOM 266 CA THR A 10 -13.691 3.861 3.142 1.00 0.00 C ATOM 267 C THR A 10 -14.674 4.299 2.060 1.00 0.00 C ATOM 268 O THR A 10 -15.234 5.377 2.113 1.00 0.00 O ATOM 269 CB THR A 10 -14.262 4.140 4.526 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.329 3.730 5.515 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.572 3.371 4.704 1.00 0.00 C ATOM 0 H THR A 10 -12.569 5.610 2.667 1.00 0.00 H new ATOM 0 HA THR A 10 -13.499 2.798 2.995 1.00 0.00 H new ATOM 0 HB THR A 10 -14.454 5.208 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.696 3.911 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.980 3.571 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.287 3.690 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.384 2.303 4.598 1.00 0.00 H new ATOM 279 N VAL A 11 -14.881 3.480 1.077 1.00 0.00 N ATOM 280 CA VAL A 11 -15.819 3.852 -0.013 1.00 0.00 C ATOM 281 C VAL A 11 -16.747 2.684 -0.349 1.00 0.00 C ATOM 282 O VAL A 11 -16.905 1.755 0.418 1.00 0.00 O ATOM 283 CB VAL A 11 -14.916 4.175 -1.205 1.00 0.00 C ATOM 284 CG1 VAL A 11 -13.903 5.247 -0.810 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.167 2.916 -1.638 1.00 0.00 C ATOM 0 H VAL A 11 -14.441 2.565 0.978 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.460 4.689 0.263 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.531 4.539 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.262 5.474 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.430 6.150 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.292 4.884 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.525 3.149 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.557 2.553 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.884 2.147 -1.926 1.00 0.00 H new ATOM 295 N TYR A 12 -17.345 2.724 -1.505 1.00 0.00 N ATOM 296 CA TYR A 12 -18.248 1.618 -1.932 1.00 0.00 C ATOM 297 C TYR A 12 -17.539 0.782 -3.001 1.00 0.00 C ATOM 298 O TYR A 12 -17.851 -0.370 -3.224 1.00 0.00 O ATOM 299 CB TYR A 12 -19.472 2.317 -2.510 1.00 0.00 C ATOM 300 CG TYR A 12 -20.722 1.684 -1.951 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.180 0.464 -2.462 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.421 2.317 -0.917 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.338 -0.122 -1.940 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.579 1.731 -0.395 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.038 0.512 -0.905 1.00 0.00 C ATOM 306 OH TYR A 12 -24.178 -0.067 -0.386 1.00 0.00 O ATOM 0 H TYR A 12 -17.247 3.483 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.521 0.945 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.448 3.379 -2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.468 2.241 -3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.639 -0.025 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.067 3.258 -0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.692 -1.063 -2.335 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.119 2.220 0.402 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.539 0.502 0.325 1.00 0.00 H new ATOM 316 N GLU A 13 -16.572 1.367 -3.654 1.00 0.00 N ATOM 317 CA GLU A 13 -15.808 0.641 -4.702 1.00 0.00 C ATOM 318 C GLU A 13 -14.493 1.395 -4.958 1.00 0.00 C ATOM 319 O GLU A 13 -13.770 1.704 -4.031 1.00 0.00 O ATOM 320 CB GLU A 13 -16.722 0.644 -5.932 1.00 0.00 C ATOM 321 CG GLU A 13 -17.018 2.085 -6.356 1.00 0.00 C ATOM 322 CD GLU A 13 -17.155 2.152 -7.878 1.00 0.00 C ATOM 323 OE1 GLU A 13 -16.184 1.852 -8.554 1.00 0.00 O ATOM 324 OE2 GLU A 13 -18.228 2.500 -8.342 1.00 0.00 O ATOM 0 H GLU A 13 -16.277 2.331 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.543 -0.380 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.246 0.105 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.653 0.123 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.936 2.433 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.217 2.745 -6.023 1.00 0.00 H new ATOM 331 N GLY A 14 -14.176 1.716 -6.183 1.00 0.00 N ATOM 332 CA GLY A 14 -12.917 2.469 -6.445 1.00 0.00 C ATOM 333 C GLY A 14 -13.264 3.934 -6.709 1.00 0.00 C ATOM 334 O GLY A 14 -12.997 4.466 -7.768 1.00 0.00 O ATOM 0 H GLY A 14 -14.731 1.491 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.245 2.389 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.395 2.044 -7.303 1.00 0.00 H new ATOM 338 N GLU A 15 -13.866 4.588 -5.753 1.00 0.00 N ATOM 339 CA GLU A 15 -14.241 6.019 -5.948 1.00 0.00 C ATOM 340 C GLU A 15 -12.995 6.867 -6.197 1.00 0.00 C ATOM 341 O GLU A 15 -12.792 7.399 -7.271 1.00 0.00 O ATOM 342 CB GLU A 15 -14.919 6.434 -4.641 1.00 0.00 C ATOM 343 CG GLU A 15 -16.363 6.854 -4.924 1.00 0.00 C ATOM 344 CD GLU A 15 -16.434 8.376 -5.052 1.00 0.00 C ATOM 345 OE1 GLU A 15 -15.407 8.977 -5.324 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.514 8.916 -4.876 1.00 0.00 O ATOM 0 H GLU A 15 -14.115 4.194 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.894 6.158 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.902 5.606 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.373 7.258 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.717 6.384 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.016 6.515 -4.120 1.00 0.00 H new ATOM 353 N SER A 16 -12.165 6.995 -5.209 1.00 0.00 N ATOM 354 CA SER A 16 -10.924 7.808 -5.365 1.00 0.00 C ATOM 355 C SER A 16 -10.108 7.744 -4.074 1.00 0.00 C ATOM 356 O SER A 16 -9.784 8.753 -3.481 1.00 0.00 O ATOM 357 CB SER A 16 -11.402 9.238 -5.627 1.00 0.00 C ATOM 358 OG SER A 16 -12.652 9.444 -4.980 1.00 0.00 O ATOM 0 H SER A 16 -12.289 6.570 -4.290 1.00 0.00 H new ATOM 0 HA SER A 16 -10.289 7.447 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.667 9.953 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.502 9.409 -6.699 1.00 0.00 H new ATOM 0 HG SER A 16 -12.959 10.360 -5.146 1.00 0.00 H new ATOM 364 N ALA A 17 -9.788 6.560 -3.631 1.00 0.00 N ATOM 365 CA ALA A 17 -9.004 6.420 -2.373 1.00 0.00 C ATOM 366 C ALA A 17 -7.507 6.324 -2.678 1.00 0.00 C ATOM 367 O ALA A 17 -6.962 5.246 -2.808 1.00 0.00 O ATOM 368 CB ALA A 17 -9.504 5.120 -1.744 1.00 0.00 C ATOM 0 H ALA A 17 -10.036 5.682 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.134 7.277 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.975 4.941 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.573 5.199 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.321 4.291 -2.428 1.00 0.00 H new ATOM 374 N ARG A 18 -6.834 7.439 -2.781 1.00 0.00 N ATOM 375 CA ARG A 18 -5.371 7.396 -3.061 1.00 0.00 C ATOM 376 C ARG A 18 -4.605 7.345 -1.738 1.00 0.00 C ATOM 377 O ARG A 18 -5.056 7.860 -0.735 1.00 0.00 O ATOM 378 CB ARG A 18 -5.060 8.688 -3.817 1.00 0.00 C ATOM 379 CG ARG A 18 -3.612 8.649 -4.311 1.00 0.00 C ATOM 380 CD ARG A 18 -3.555 9.119 -5.766 1.00 0.00 C ATOM 381 NE ARG A 18 -2.764 8.076 -6.481 1.00 0.00 N ATOM 382 CZ ARG A 18 -1.509 7.878 -6.178 1.00 0.00 C ATOM 383 NH1 ARG A 18 -0.767 8.871 -5.769 1.00 0.00 N ATOM 384 NH2 ARG A 18 -0.992 6.685 -6.286 1.00 0.00 N ATOM 0 H ARG A 18 -7.232 8.373 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.082 6.521 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.741 8.802 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.211 9.549 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.987 9.287 -3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.216 7.637 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.555 9.214 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.081 10.097 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.205 7.515 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.167 9.806 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.213 8.712 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.568 5.907 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.012 6.531 -6.049 1.00 0.00 H new ATOM 398 N PHE A 19 -3.461 6.717 -1.720 1.00 0.00 N ATOM 399 CA PHE A 19 -2.689 6.619 -0.443 1.00 0.00 C ATOM 400 C PHE A 19 -1.214 6.924 -0.670 1.00 0.00 C ATOM 401 O PHE A 19 -0.714 6.842 -1.773 1.00 0.00 O ATOM 402 CB PHE A 19 -2.851 5.164 0.009 1.00 0.00 C ATOM 403 CG PHE A 19 -4.317 4.832 0.082 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.175 5.685 0.769 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.819 3.689 -0.553 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.535 5.403 0.830 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.187 3.405 -0.494 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.046 4.263 0.200 1.00 0.00 C ATOM 0 H PHE A 19 -3.027 6.269 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.051 7.333 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.348 4.495 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.383 5.018 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.784 6.567 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.151 3.029 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.199 6.066 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.579 2.525 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.103 4.046 0.250 1.00 0.00 H new ATOM 418 N SER A 20 -0.507 7.260 0.372 1.00 0.00 N ATOM 419 CA SER A 20 0.941 7.539 0.213 1.00 0.00 C ATOM 420 C SER A 20 1.696 7.241 1.497 1.00 0.00 C ATOM 421 O SER A 20 1.432 7.803 2.540 1.00 0.00 O ATOM 422 CB SER A 20 1.052 9.013 -0.131 1.00 0.00 C ATOM 423 OG SER A 20 2.352 9.474 0.212 1.00 0.00 O ATOM 0 H SER A 20 -0.869 7.352 1.321 1.00 0.00 H new ATOM 0 HA SER A 20 1.376 6.911 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.867 9.166 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.296 9.583 0.409 1.00 0.00 H new ATOM 0 HG SER A 20 2.431 10.425 -0.009 1.00 0.00 H new ATOM 429 N CYS A 21 2.656 6.383 1.410 1.00 0.00 N ATOM 430 CA CYS A 21 3.478 6.053 2.601 1.00 0.00 C ATOM 431 C CYS A 21 4.930 6.414 2.302 1.00 0.00 C ATOM 432 O CYS A 21 5.527 5.887 1.392 1.00 0.00 O ATOM 433 CB CYS A 21 3.325 4.549 2.805 1.00 0.00 C ATOM 434 SG CYS A 21 3.783 3.664 1.291 1.00 0.00 S ATOM 0 H CYS A 21 2.914 5.887 0.557 1.00 0.00 H new ATOM 0 HA CYS A 21 3.171 6.597 3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.955 4.221 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.296 4.314 3.075 1.00 0.00 H new ATOM 0 HG CYS A 21 2.737 3.063 0.807 1.00 0.00 H new ATOM 440 N ASP A 22 5.506 7.316 3.036 1.00 0.00 N ATOM 441 CA ASP A 22 6.918 7.701 2.745 1.00 0.00 C ATOM 442 C ASP A 22 7.872 6.813 3.531 1.00 0.00 C ATOM 443 O ASP A 22 7.901 6.847 4.734 1.00 0.00 O ATOM 444 CB ASP A 22 7.045 9.156 3.192 1.00 0.00 C ATOM 445 CG ASP A 22 5.909 9.993 2.589 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.187 9.470 1.753 1.00 0.00 O ATOM 447 OD2 ASP A 22 5.780 11.144 2.974 1.00 0.00 O ATOM 0 H ASP A 22 5.070 7.803 3.819 1.00 0.00 H new ATOM 0 HA ASP A 22 7.166 7.584 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.013 9.215 4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.009 9.558 2.880 1.00 0.00 H new ATOM 452 N THR A 23 8.640 6.005 2.861 1.00 0.00 N ATOM 453 CA THR A 23 9.577 5.101 3.590 1.00 0.00 C ATOM 454 C THR A 23 11.034 5.402 3.233 1.00 0.00 C ATOM 455 O THR A 23 11.389 5.537 2.080 1.00 0.00 O ATOM 456 CB THR A 23 9.218 3.689 3.128 1.00 0.00 C ATOM 457 OG1 THR A 23 9.622 3.521 1.777 1.00 0.00 O ATOM 458 CG2 THR A 23 7.707 3.465 3.239 1.00 0.00 C ATOM 0 H THR A 23 8.662 5.929 1.844 1.00 0.00 H new ATOM 0 HA THR A 23 9.483 5.229 4.668 1.00 0.00 H new ATOM 0 HB THR A 23 9.731 2.965 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.147 4.298 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.463 2.456 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.396 3.591 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.185 4.189 2.613 1.00 0.00 H new ATOM 466 N ASP A 24 11.884 5.480 4.217 1.00 0.00 N ATOM 467 CA ASP A 24 13.324 5.744 3.940 1.00 0.00 C ATOM 468 C ASP A 24 14.061 4.415 3.748 1.00 0.00 C ATOM 469 O ASP A 24 13.724 3.420 4.359 1.00 0.00 O ATOM 470 CB ASP A 24 13.845 6.470 5.177 1.00 0.00 C ATOM 471 CG ASP A 24 12.992 7.710 5.442 1.00 0.00 C ATOM 472 OD1 ASP A 24 13.311 8.752 4.893 1.00 0.00 O ATOM 473 OD2 ASP A 24 12.036 7.598 6.190 1.00 0.00 O ATOM 0 H ASP A 24 11.644 5.372 5.203 1.00 0.00 H new ATOM 0 HA ASP A 24 13.473 6.334 3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.816 5.805 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.886 6.757 5.031 1.00 0.00 H new ATOM 478 N GLY A 25 15.060 4.384 2.909 1.00 0.00 N ATOM 479 CA GLY A 25 15.802 3.109 2.692 1.00 0.00 C ATOM 480 C GLY A 25 17.124 3.391 1.975 1.00 0.00 C ATOM 481 O GLY A 25 17.347 4.465 1.454 1.00 0.00 O ATOM 0 H GLY A 25 15.393 5.181 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.994 2.622 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.197 2.422 2.100 1.00 0.00 H new ATOM 485 N GLU A 26 18.007 2.428 1.951 1.00 0.00 N ATOM 486 CA GLU A 26 19.321 2.628 1.275 1.00 0.00 C ATOM 487 C GLU A 26 19.926 1.259 0.893 1.00 0.00 C ATOM 488 O GLU A 26 20.251 0.482 1.771 1.00 0.00 O ATOM 489 CB GLU A 26 20.189 3.326 2.324 1.00 0.00 C ATOM 490 CG GLU A 26 21.599 3.540 1.769 1.00 0.00 C ATOM 491 CD GLU A 26 21.706 4.940 1.164 1.00 0.00 C ATOM 492 OE1 GLU A 26 20.963 5.809 1.592 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.530 5.121 0.283 1.00 0.00 O ATOM 0 H GLU A 26 17.874 1.509 2.372 1.00 0.00 H new ATOM 0 HA GLU A 26 19.241 3.209 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.746 4.284 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.233 2.725 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.335 3.419 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.821 2.788 1.012 1.00 0.00 H new ATOM 500 N PRO A 27 20.051 0.982 -0.395 1.00 0.00 N ATOM 501 CA PRO A 27 19.650 1.938 -1.468 1.00 0.00 C ATOM 502 C PRO A 27 18.137 2.172 -1.454 1.00 0.00 C ATOM 503 O PRO A 27 17.454 1.809 -0.517 1.00 0.00 O ATOM 504 CB PRO A 27 20.091 1.244 -2.755 1.00 0.00 C ATOM 505 CG PRO A 27 20.131 -0.206 -2.408 1.00 0.00 C ATOM 506 CD PRO A 27 20.539 -0.282 -0.961 1.00 0.00 C ATOM 0 HA PRO A 27 20.100 2.923 -1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.392 1.437 -3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.068 1.600 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.157 -0.670 -2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 27 20.841 -0.738 -3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 27 20.092 -1.143 -0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.619 -0.378 -0.854 1.00 0.00 H new ATOM 514 N VAL A 28 17.628 2.798 -2.483 1.00 0.00 N ATOM 515 CA VAL A 28 16.162 3.101 -2.567 1.00 0.00 C ATOM 516 C VAL A 28 15.304 1.944 -2.019 1.00 0.00 C ATOM 517 O VAL A 28 15.499 0.803 -2.388 1.00 0.00 O ATOM 518 CB VAL A 28 15.891 3.300 -4.058 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.405 3.588 -4.273 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.717 4.485 -4.568 1.00 0.00 C ATOM 0 H VAL A 28 18.173 3.119 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 28 15.903 3.974 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 28 16.168 2.397 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.212 3.730 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.815 2.748 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.127 4.491 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.527 4.630 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.436 5.386 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.777 4.283 -4.413 1.00 0.00 H new ATOM 530 N PRO A 29 14.379 2.282 -1.149 1.00 0.00 N ATOM 531 CA PRO A 29 13.490 1.257 -0.544 1.00 0.00 C ATOM 532 C PRO A 29 12.452 0.772 -1.560 1.00 0.00 C ATOM 533 O PRO A 29 12.262 1.367 -2.602 1.00 0.00 O ATOM 534 CB PRO A 29 12.800 2.008 0.590 1.00 0.00 C ATOM 535 CG PRO A 29 12.836 3.444 0.184 1.00 0.00 C ATOM 536 CD PRO A 29 14.075 3.630 -0.647 1.00 0.00 C ATOM 0 HA PRO A 29 14.033 0.373 -0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.775 1.662 0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.317 1.853 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.945 3.707 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.857 4.093 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.905 4.330 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.897 4.028 -0.052 1.00 0.00 H new ATOM 544 N THR A 30 11.765 -0.294 -1.251 1.00 0.00 N ATOM 545 CA THR A 30 10.718 -0.806 -2.185 1.00 0.00 C ATOM 546 C THR A 30 9.364 -0.813 -1.469 1.00 0.00 C ATOM 547 O THR A 30 9.245 -0.337 -0.357 1.00 0.00 O ATOM 548 CB THR A 30 11.157 -2.228 -2.564 1.00 0.00 C ATOM 549 OG1 THR A 30 10.332 -2.713 -3.620 1.00 0.00 O ATOM 550 CG2 THR A 30 11.052 -3.159 -1.349 1.00 0.00 C ATOM 0 H THR A 30 11.882 -0.833 -0.393 1.00 0.00 H new ATOM 0 HA THR A 30 10.610 -0.187 -3.076 1.00 0.00 H new ATOM 0 HB THR A 30 12.195 -2.204 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.612 -3.620 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.366 -4.164 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.695 -2.789 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.020 -3.187 -1.000 1.00 0.00 H new ATOM 558 N VAL A 31 8.341 -1.338 -2.086 1.00 0.00 N ATOM 559 CA VAL A 31 7.013 -1.352 -1.411 1.00 0.00 C ATOM 560 C VAL A 31 6.168 -2.548 -1.863 1.00 0.00 C ATOM 561 O VAL A 31 6.141 -2.901 -3.025 1.00 0.00 O ATOM 562 CB VAL A 31 6.353 -0.015 -1.805 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.529 -0.169 -3.091 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.429 0.444 -0.677 1.00 0.00 C ATOM 0 H VAL A 31 8.366 -1.753 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 31 7.108 -1.455 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 31 7.139 0.720 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.074 0.787 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.180 -0.491 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.748 -0.913 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.961 1.389 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.658 -0.308 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.009 0.579 0.236 1.00 0.00 H new ATOM 574 N THR A 32 5.439 -3.138 -0.961 1.00 0.00 N ATOM 575 CA THR A 32 4.556 -4.262 -1.348 1.00 0.00 C ATOM 576 C THR A 32 3.255 -4.126 -0.570 1.00 0.00 C ATOM 577 O THR A 32 3.212 -4.304 0.622 1.00 0.00 O ATOM 578 CB THR A 32 5.302 -5.541 -0.971 1.00 0.00 C ATOM 579 OG1 THR A 32 6.663 -5.428 -1.365 1.00 0.00 O ATOM 580 CG2 THR A 32 4.657 -6.732 -1.685 1.00 0.00 C ATOM 0 H THR A 32 5.418 -2.888 0.028 1.00 0.00 H new ATOM 0 HA THR A 32 4.316 -4.274 -2.411 1.00 0.00 H new ATOM 0 HB THR A 32 5.250 -5.692 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.239 -5.501 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.187 -7.647 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.613 -6.816 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.711 -6.583 -2.763 1.00 0.00 H new ATOM 588 N TRP A 33 2.200 -3.784 -1.234 1.00 0.00 N ATOM 589 CA TRP A 33 0.904 -3.593 -0.526 1.00 0.00 C ATOM 590 C TRP A 33 0.147 -4.909 -0.425 1.00 0.00 C ATOM 591 O TRP A 33 -0.385 -5.390 -1.391 1.00 0.00 O ATOM 592 CB TRP A 33 0.127 -2.624 -1.403 1.00 0.00 C ATOM 593 CG TRP A 33 0.863 -1.334 -1.513 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.869 -1.107 -2.373 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.670 -0.105 -0.773 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.324 0.191 -2.204 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.612 0.850 -1.224 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.220 0.265 0.237 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.667 2.135 -0.685 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.176 1.558 0.785 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.769 2.493 0.325 1.00 0.00 C ATOM 0 H TRP A 33 2.172 -3.626 -2.241 1.00 0.00 H new ATOM 0 HA TRP A 33 1.046 -3.226 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.019 -3.054 -2.394 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.863 -2.452 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.261 -1.821 -3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.088 0.606 -2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.947 -0.447 0.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.396 2.846 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.871 1.835 1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.801 3.485 0.751 1.00 0.00 H new ATOM 612 N LEU A 34 0.087 -5.489 0.735 1.00 0.00 N ATOM 613 CA LEU A 34 -0.671 -6.763 0.878 1.00 0.00 C ATOM 614 C LEU A 34 -1.108 -6.960 2.326 1.00 0.00 C ATOM 615 O LEU A 34 -0.601 -6.324 3.229 1.00 0.00 O ATOM 616 CB LEU A 34 0.267 -7.874 0.408 1.00 0.00 C ATOM 617 CG LEU A 34 1.441 -8.026 1.367 1.00 0.00 C ATOM 618 CD1 LEU A 34 1.872 -9.492 1.376 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.595 -7.143 0.890 1.00 0.00 C ATOM 0 H LEU A 34 0.526 -5.142 1.588 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.584 -6.762 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.279 -8.815 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.635 -7.648 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 34 1.155 -7.722 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.713 -9.620 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.040 -10.114 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.172 -9.789 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.439 -7.247 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.898 -7.449 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.272 -6.102 0.869 1.00 0.00 H new ATOM 631 N ARG A 35 -2.041 -7.834 2.559 1.00 0.00 N ATOM 632 CA ARG A 35 -2.504 -8.064 3.941 1.00 0.00 C ATOM 633 C ARG A 35 -3.215 -9.410 4.046 1.00 0.00 C ATOM 634 O ARG A 35 -2.870 -10.258 4.846 1.00 0.00 O ATOM 635 CB ARG A 35 -3.482 -6.934 4.188 1.00 0.00 C ATOM 636 CG ARG A 35 -3.827 -6.886 5.669 1.00 0.00 C ATOM 637 CD ARG A 35 -4.870 -7.958 6.002 1.00 0.00 C ATOM 638 NE ARG A 35 -5.447 -7.542 7.313 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.694 -7.508 8.378 1.00 0.00 C ATOM 640 NH1 ARG A 35 -4.241 -8.618 8.894 1.00 0.00 N ATOM 641 NH2 ARG A 35 -4.392 -6.363 8.928 1.00 0.00 N ATOM 0 H ARG A 35 -2.502 -8.399 1.846 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.687 -8.084 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.047 -5.985 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.385 -7.083 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.928 -7.045 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.212 -5.900 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.639 -8.013 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.414 -8.946 6.067 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.432 -7.284 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.476 -9.513 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.652 -8.590 9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.745 -5.495 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.803 -6.337 9.761 1.00 0.00 H new ATOM 655 N LYS A 36 -4.217 -9.589 3.244 1.00 0.00 N ATOM 656 CA LYS A 36 -4.997 -10.860 3.269 1.00 0.00 C ATOM 657 C LYS A 36 -5.458 -11.234 1.854 1.00 0.00 C ATOM 658 O LYS A 36 -5.581 -12.397 1.523 1.00 0.00 O ATOM 659 CB LYS A 36 -6.200 -10.560 4.165 1.00 0.00 C ATOM 660 CG LYS A 36 -7.122 -11.783 4.224 1.00 0.00 C ATOM 661 CD LYS A 36 -8.581 -11.322 4.212 1.00 0.00 C ATOM 662 CE LYS A 36 -9.223 -11.613 5.570 1.00 0.00 C ATOM 663 NZ LYS A 36 -10.005 -10.388 5.899 1.00 0.00 N ATOM 0 H LYS A 36 -4.538 -8.903 2.561 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.408 -11.700 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.862 -10.299 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.747 -9.699 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.929 -12.438 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.919 -12.361 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.634 -10.255 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.129 -11.836 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.867 -12.491 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.467 -11.814 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.377 -10.463 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.389 -9.553 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.796 -10.291 5.231 1.00 0.00 H new ATOM 677 N GLY A 37 -5.721 -10.261 1.020 1.00 0.00 N ATOM 678 CA GLY A 37 -6.176 -10.559 -0.363 1.00 0.00 C ATOM 679 C GLY A 37 -4.966 -10.776 -1.282 1.00 0.00 C ATOM 680 O GLY A 37 -4.915 -10.249 -2.371 1.00 0.00 O ATOM 0 H GLY A 37 -5.638 -9.269 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.806 -11.448 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.785 -9.737 -0.739 1.00 0.00 H new ATOM 684 N GLN A 38 -3.994 -11.550 -0.841 1.00 0.00 N ATOM 685 CA GLN A 38 -2.763 -11.822 -1.654 1.00 0.00 C ATOM 686 C GLN A 38 -1.900 -10.566 -1.724 1.00 0.00 C ATOM 687 O GLN A 38 -0.938 -10.411 -1.000 1.00 0.00 O ATOM 688 CB GLN A 38 -3.241 -12.250 -3.051 1.00 0.00 C ATOM 689 CG GLN A 38 -2.777 -13.682 -3.331 1.00 0.00 C ATOM 690 CD GLN A 38 -1.329 -13.664 -3.822 1.00 0.00 C ATOM 691 OE1 GLN A 38 -0.496 -14.392 -3.318 1.00 0.00 O ATOM 692 NE2 GLN A 38 -0.989 -12.859 -4.791 1.00 0.00 N ATOM 0 H GLN A 38 -4.006 -12.013 0.068 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.152 -12.607 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.328 -12.190 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.843 -11.573 -3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.858 -14.285 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.420 -14.144 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.687 -12.248 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.025 -12.841 -5.125 1.00 0.00 H new ATOM 701 N VAL A 39 -2.254 -9.671 -2.581 1.00 0.00 N ATOM 702 CA VAL A 39 -1.490 -8.402 -2.718 1.00 0.00 C ATOM 703 C VAL A 39 -2.434 -7.282 -3.170 1.00 0.00 C ATOM 704 O VAL A 39 -3.625 -7.476 -3.305 1.00 0.00 O ATOM 705 CB VAL A 39 -0.419 -8.680 -3.777 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.424 -9.883 -3.350 1.00 0.00 C ATOM 707 CG2 VAL A 39 -1.089 -8.983 -5.119 1.00 0.00 C ATOM 0 H VAL A 39 -3.054 -9.759 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.038 -8.083 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 39 0.221 -7.803 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.186 -10.080 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.905 -9.670 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.217 -10.758 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.325 -9.180 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.731 -9.858 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.689 -8.127 -5.428 1.00 0.00 H new ATOM 717 N LEU A 40 -1.908 -6.115 -3.404 1.00 0.00 N ATOM 718 CA LEU A 40 -2.761 -4.970 -3.843 1.00 0.00 C ATOM 719 C LEU A 40 -2.203 -4.405 -5.144 1.00 0.00 C ATOM 720 O LEU A 40 -2.930 -4.028 -6.036 1.00 0.00 O ATOM 721 CB LEU A 40 -2.638 -3.911 -2.736 1.00 0.00 C ATOM 722 CG LEU A 40 -3.637 -4.171 -1.603 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.435 -5.572 -1.051 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.391 -3.177 -0.467 1.00 0.00 C ATOM 0 H LEU A 40 -0.915 -5.900 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.797 -5.269 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.624 -3.915 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.811 -2.920 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.648 -4.061 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.147 -5.752 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.592 -6.302 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.420 -5.668 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.102 -3.362 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.375 -3.299 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.520 -2.160 -0.839 1.00 0.00 H new ATOM 736 N SER A 41 -0.904 -4.337 -5.234 1.00 0.00 N ATOM 737 CA SER A 41 -0.237 -3.787 -6.450 1.00 0.00 C ATOM 738 C SER A 41 -0.910 -4.264 -7.735 1.00 0.00 C ATOM 739 O SER A 41 -0.580 -5.308 -8.265 1.00 0.00 O ATOM 740 CB SER A 41 1.192 -4.312 -6.381 1.00 0.00 C ATOM 741 OG SER A 41 1.160 -5.711 -6.127 1.00 0.00 O ATOM 0 H SER A 41 -0.263 -4.645 -4.502 1.00 0.00 H new ATOM 0 HA SER A 41 -0.290 -2.698 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.712 -4.111 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.744 -3.799 -5.593 1.00 0.00 H new ATOM 0 HG SER A 41 0.650 -6.160 -6.833 1.00 0.00 H new ATOM 747 N THR A 42 -1.828 -3.481 -8.246 1.00 0.00 N ATOM 748 CA THR A 42 -2.536 -3.823 -9.516 1.00 0.00 C ATOM 749 C THR A 42 -2.800 -5.332 -9.619 1.00 0.00 C ATOM 750 O THR A 42 -2.746 -5.915 -10.684 1.00 0.00 O ATOM 751 CB THR A 42 -1.593 -3.356 -10.629 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.563 -4.316 -10.813 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.969 -1.996 -10.276 1.00 0.00 C ATOM 0 H THR A 42 -2.122 -2.599 -7.825 1.00 0.00 H new ATOM 0 HA THR A 42 -3.514 -3.345 -9.576 1.00 0.00 H new ATOM 0 HB THR A 42 -2.167 -3.249 -11.549 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.477 -4.863 -10.004 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.302 -1.682 -11.079 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.759 -1.255 -10.149 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.403 -2.085 -9.349 1.00 0.00 H new ATOM 761 N SER A 43 -3.075 -5.962 -8.511 1.00 0.00 N ATOM 762 CA SER A 43 -3.334 -7.431 -8.523 1.00 0.00 C ATOM 763 C SER A 43 -4.374 -7.788 -9.588 1.00 0.00 C ATOM 764 O SER A 43 -4.421 -8.901 -10.071 1.00 0.00 O ATOM 765 CB SER A 43 -3.866 -7.745 -7.127 1.00 0.00 C ATOM 766 OG SER A 43 -3.480 -9.062 -6.760 1.00 0.00 O ATOM 0 H SER A 43 -3.132 -5.521 -7.593 1.00 0.00 H new ATOM 0 HA SER A 43 -2.438 -8.004 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.476 -7.026 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.952 -7.655 -7.111 1.00 0.00 H new ATOM 0 HG SER A 43 -3.819 -9.264 -5.863 1.00 0.00 H new ATOM 772 N ALA A 44 -5.209 -6.852 -9.957 1.00 0.00 N ATOM 773 CA ALA A 44 -6.251 -7.131 -10.997 1.00 0.00 C ATOM 774 C ALA A 44 -7.149 -5.908 -11.189 1.00 0.00 C ATOM 775 O ALA A 44 -7.636 -5.644 -12.270 1.00 0.00 O ATOM 776 CB ALA A 44 -7.069 -8.309 -10.457 1.00 0.00 C ATOM 0 H ALA A 44 -5.216 -5.903 -9.583 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.804 -7.359 -11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.852 -8.566 -11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.415 -9.169 -10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.523 -8.031 -9.506 1.00 0.00 H new ATOM 782 N ARG A 45 -7.373 -5.165 -10.144 1.00 0.00 N ATOM 783 CA ARG A 45 -8.241 -3.956 -10.252 1.00 0.00 C ATOM 784 C ARG A 45 -7.658 -2.808 -9.418 1.00 0.00 C ATOM 785 O ARG A 45 -8.320 -1.825 -9.148 1.00 0.00 O ATOM 786 CB ARG A 45 -9.592 -4.398 -9.683 1.00 0.00 C ATOM 787 CG ARG A 45 -9.405 -4.883 -8.242 1.00 0.00 C ATOM 788 CD ARG A 45 -10.657 -5.639 -7.791 1.00 0.00 C ATOM 789 NE ARG A 45 -10.329 -7.081 -7.983 1.00 0.00 N ATOM 790 CZ ARG A 45 -9.379 -7.642 -7.282 1.00 0.00 C ATOM 791 NH1 ARG A 45 -9.073 -7.183 -6.099 1.00 0.00 N ATOM 792 NH2 ARG A 45 -8.733 -8.666 -7.767 1.00 0.00 N ATOM 0 H ARG A 45 -6.992 -5.342 -9.214 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.323 -3.592 -11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.299 -3.569 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.013 -5.196 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.532 -5.532 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.222 -4.035 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.894 -5.424 -6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.526 -5.350 -8.382 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.849 -7.633 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.576 -6.382 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.331 -7.625 -5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.970 -9.027 -8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.991 -9.106 -7.222 1.00 0.00 H new ATOM 806 N HIS A 46 -6.430 -2.934 -8.991 1.00 0.00 N ATOM 807 CA HIS A 46 -5.809 -1.873 -8.161 1.00 0.00 C ATOM 808 C HIS A 46 -4.813 -1.053 -8.991 1.00 0.00 C ATOM 809 O HIS A 46 -4.520 -1.377 -10.125 1.00 0.00 O ATOM 810 CB HIS A 46 -5.068 -2.649 -7.073 1.00 0.00 C ATOM 811 CG HIS A 46 -5.992 -3.638 -6.405 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.988 -3.249 -5.525 1.00 0.00 N ATOM 813 CD2 HIS A 46 -6.077 -5.006 -6.485 1.00 0.00 C ATOM 814 CE1 HIS A 46 -7.623 -4.361 -5.113 1.00 0.00 C ATOM 815 NE2 HIS A 46 -7.107 -5.461 -5.668 1.00 0.00 N ATOM 0 H HIS A 46 -5.829 -3.735 -9.186 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.540 -1.169 -7.764 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.217 -3.174 -7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.670 -1.956 -6.331 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.201 -2.293 -5.241 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.440 -5.634 -7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.450 -4.364 -4.418 1.00 0.00 H new ATOM 823 N GLN A 47 -4.282 0.001 -8.428 1.00 0.00 N ATOM 824 CA GLN A 47 -3.295 0.835 -9.172 1.00 0.00 C ATOM 825 C GLN A 47 -2.237 1.356 -8.196 1.00 0.00 C ATOM 826 O GLN A 47 -2.420 2.372 -7.561 1.00 0.00 O ATOM 827 CB GLN A 47 -4.116 1.990 -9.754 1.00 0.00 C ATOM 828 CG GLN A 47 -3.181 3.035 -10.369 1.00 0.00 C ATOM 829 CD GLN A 47 -2.325 2.381 -11.454 1.00 0.00 C ATOM 830 OE1 GLN A 47 -2.828 1.647 -12.281 1.00 0.00 O ATOM 831 NE2 GLN A 47 -1.042 2.618 -11.487 1.00 0.00 N ATOM 0 H GLN A 47 -4.491 0.320 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.772 0.283 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.803 1.614 -10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.722 2.447 -8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.763 3.853 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.542 3.465 -9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.619 3.234 -10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.462 2.187 -12.207 1.00 0.00 H new ATOM 840 N VAL A 48 -1.137 0.668 -8.053 1.00 0.00 N ATOM 841 CA VAL A 48 -0.100 1.149 -7.096 1.00 0.00 C ATOM 842 C VAL A 48 1.098 1.747 -7.843 1.00 0.00 C ATOM 843 O VAL A 48 1.311 1.497 -9.013 1.00 0.00 O ATOM 844 CB VAL A 48 0.290 -0.091 -6.264 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.629 -0.696 -6.719 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.403 0.316 -4.796 1.00 0.00 C ATOM 0 H VAL A 48 -0.913 -0.194 -8.550 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.468 1.950 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.483 -0.847 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.862 -1.566 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.555 -0.998 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.419 0.047 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.678 -0.553 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.167 1.087 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.555 0.705 -4.451 1.00 0.00 H new ATOM 856 N THR A 49 1.881 2.522 -7.156 1.00 0.00 N ATOM 857 CA THR A 49 3.082 3.135 -7.791 1.00 0.00 C ATOM 858 C THR A 49 4.159 3.372 -6.732 1.00 0.00 C ATOM 859 O THR A 49 3.874 3.433 -5.555 1.00 0.00 O ATOM 860 CB THR A 49 2.596 4.462 -8.377 1.00 0.00 C ATOM 861 OG1 THR A 49 3.713 5.209 -8.839 1.00 0.00 O ATOM 862 CG2 THR A 49 1.859 5.255 -7.301 1.00 0.00 C ATOM 0 H THR A 49 1.743 2.761 -6.174 1.00 0.00 H new ATOM 0 HA THR A 49 3.519 2.497 -8.559 1.00 0.00 H new ATOM 0 HB THR A 49 1.919 4.268 -9.209 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.404 6.059 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.513 6.200 -7.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.003 4.680 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.534 5.452 -6.468 1.00 0.00 H new ATOM 870 N THR A 50 5.391 3.509 -7.131 1.00 0.00 N ATOM 871 CA THR A 50 6.471 3.745 -6.128 1.00 0.00 C ATOM 872 C THR A 50 7.600 4.566 -6.760 1.00 0.00 C ATOM 873 O THR A 50 7.981 4.341 -7.890 1.00 0.00 O ATOM 874 CB THR A 50 6.963 2.351 -5.733 1.00 0.00 C ATOM 875 OG1 THR A 50 5.888 1.426 -5.834 1.00 0.00 O ATOM 876 CG2 THR A 50 7.470 2.376 -4.290 1.00 0.00 C ATOM 0 H THR A 50 5.699 3.469 -8.103 1.00 0.00 H new ATOM 0 HA THR A 50 6.120 4.305 -5.261 1.00 0.00 H new ATOM 0 HB THR A 50 7.772 2.051 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.245 0.516 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.820 1.382 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.291 3.087 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.660 2.676 -3.625 1.00 0.00 H new ATOM 884 N THR A 51 8.130 5.525 -6.047 1.00 0.00 N ATOM 885 CA THR A 51 9.221 6.358 -6.623 1.00 0.00 C ATOM 886 C THR A 51 10.515 6.196 -5.800 1.00 0.00 C ATOM 887 O THR A 51 10.876 5.100 -5.418 1.00 0.00 O ATOM 888 CB THR A 51 8.671 7.792 -6.573 1.00 0.00 C ATOM 889 OG1 THR A 51 9.494 8.649 -7.354 1.00 0.00 O ATOM 890 CG2 THR A 51 8.633 8.290 -5.126 1.00 0.00 C ATOM 0 H THR A 51 7.855 5.765 -5.095 1.00 0.00 H new ATOM 0 HA THR A 51 9.489 6.072 -7.640 1.00 0.00 H new ATOM 0 HB THR A 51 7.658 7.798 -6.977 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.139 9.562 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.242 9.307 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.989 7.639 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.641 8.279 -4.711 1.00 0.00 H new ATOM 898 N LYS A 52 11.224 7.265 -5.539 1.00 0.00 N ATOM 899 CA LYS A 52 12.494 7.153 -4.764 1.00 0.00 C ATOM 900 C LYS A 52 12.258 6.475 -3.405 1.00 0.00 C ATOM 901 O LYS A 52 12.349 5.269 -3.286 1.00 0.00 O ATOM 902 CB LYS A 52 12.972 8.596 -4.587 1.00 0.00 C ATOM 903 CG LYS A 52 13.318 9.191 -5.953 1.00 0.00 C ATOM 904 CD LYS A 52 12.235 10.190 -6.367 1.00 0.00 C ATOM 905 CE LYS A 52 12.858 11.576 -6.542 1.00 0.00 C ATOM 906 NZ LYS A 52 13.371 11.593 -7.941 1.00 0.00 N ATOM 0 H LYS A 52 10.977 8.211 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 52 13.233 6.537 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.196 9.191 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.845 8.624 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.287 9.687 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.399 8.398 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.767 9.870 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.450 10.225 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.121 12.363 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.662 11.741 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.814 12.513 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.075 10.837 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.583 11.440 -8.602 1.00 0.00 H new ATOM 920 N TYR A 53 11.973 7.230 -2.374 1.00 0.00 N ATOM 921 CA TYR A 53 11.755 6.608 -1.034 1.00 0.00 C ATOM 922 C TYR A 53 10.319 6.817 -0.572 1.00 0.00 C ATOM 923 O TYR A 53 10.045 6.890 0.606 1.00 0.00 O ATOM 924 CB TYR A 53 12.687 7.347 -0.088 1.00 0.00 C ATOM 925 CG TYR A 53 14.095 7.355 -0.632 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.440 8.256 -1.641 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.053 6.470 -0.125 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.743 8.276 -2.150 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.358 6.490 -0.632 1.00 0.00 C ATOM 930 CZ TYR A 53 16.703 7.393 -1.645 1.00 0.00 C ATOM 931 OH TYR A 53 17.990 7.413 -2.143 1.00 0.00 O ATOM 0 H TYR A 53 11.882 8.246 -2.402 1.00 0.00 H new ATOM 0 HA TYR A 53 11.945 5.535 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.338 8.370 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.672 6.871 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.699 8.939 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.786 5.773 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.007 8.972 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.099 5.808 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 53 18.530 6.737 -1.682 1.00 0.00 H new ATOM 941 N LYS A 54 9.407 6.929 -1.480 1.00 0.00 N ATOM 942 CA LYS A 54 7.985 7.145 -1.076 1.00 0.00 C ATOM 943 C LYS A 54 7.042 6.457 -2.064 1.00 0.00 C ATOM 944 O LYS A 54 7.171 6.594 -3.263 1.00 0.00 O ATOM 945 CB LYS A 54 7.745 8.672 -1.061 1.00 0.00 C ATOM 946 CG LYS A 54 8.723 9.412 -1.990 1.00 0.00 C ATOM 947 CD LYS A 54 8.036 10.646 -2.578 1.00 0.00 C ATOM 948 CE LYS A 54 8.211 11.830 -1.625 1.00 0.00 C ATOM 949 NZ LYS A 54 8.012 13.040 -2.471 1.00 0.00 N ATOM 0 H LYS A 54 9.573 6.882 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 54 7.790 6.718 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.721 8.882 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.855 9.048 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.614 9.708 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.052 8.750 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.463 10.883 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.976 10.445 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.485 11.793 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.201 11.826 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.117 13.894 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.721 13.052 -3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.059 13.020 -2.887 1.00 0.00 H new ATOM 963 N SER A 55 6.096 5.712 -1.564 1.00 0.00 N ATOM 964 CA SER A 55 5.146 5.013 -2.465 1.00 0.00 C ATOM 965 C SER A 55 3.748 5.598 -2.340 1.00 0.00 C ATOM 966 O SER A 55 3.462 6.391 -1.468 1.00 0.00 O ATOM 967 CB SER A 55 5.110 3.560 -1.999 1.00 0.00 C ATOM 968 OG SER A 55 4.961 2.733 -3.135 1.00 0.00 O ATOM 0 H SER A 55 5.942 5.558 -0.567 1.00 0.00 H new ATOM 0 HA SER A 55 5.462 5.114 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.027 3.310 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.284 3.404 -1.305 1.00 0.00 H new ATOM 0 HG SER A 55 4.584 3.256 -3.873 1.00 0.00 H new ATOM 974 N THR A 56 2.875 5.181 -3.202 1.00 0.00 N ATOM 975 CA THR A 56 1.477 5.663 -3.151 1.00 0.00 C ATOM 976 C THR A 56 0.561 4.590 -3.725 1.00 0.00 C ATOM 977 O THR A 56 0.827 4.023 -4.772 1.00 0.00 O ATOM 978 CB THR A 56 1.450 6.932 -4.000 1.00 0.00 C ATOM 979 OG1 THR A 56 2.236 6.740 -5.164 1.00 0.00 O ATOM 980 CG2 THR A 56 2.026 8.091 -3.195 1.00 0.00 C ATOM 0 H THR A 56 3.074 4.517 -3.950 1.00 0.00 H new ATOM 0 HA THR A 56 1.136 5.872 -2.137 1.00 0.00 H new ATOM 0 HB THR A 56 0.422 7.155 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.217 7.554 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.008 8.998 -3.799 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.429 8.242 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.054 7.863 -2.914 1.00 0.00 H new ATOM 988 N PHE A 57 -0.497 4.282 -3.038 1.00 0.00 N ATOM 989 CA PHE A 57 -1.410 3.226 -3.534 1.00 0.00 C ATOM 990 C PHE A 57 -2.828 3.767 -3.713 1.00 0.00 C ATOM 991 O PHE A 57 -3.453 4.216 -2.776 1.00 0.00 O ATOM 992 CB PHE A 57 -1.373 2.154 -2.444 1.00 0.00 C ATOM 993 CG PHE A 57 -2.382 1.073 -2.748 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.530 0.603 -4.057 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.162 0.534 -1.717 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.455 -0.403 -4.338 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.087 -0.476 -1.998 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.233 -0.947 -3.310 1.00 0.00 C ATOM 0 H PHE A 57 -0.768 4.716 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.109 2.843 -4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.374 1.723 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.589 2.602 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.928 1.019 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.049 0.898 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.571 -0.762 -5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.689 -0.893 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.945 -1.729 -3.527 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.349 3.707 -4.904 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.736 4.204 -5.130 1.00 0.00 C ATOM 1010 C GLU A 58 -5.579 3.105 -5.792 1.00 0.00 C ATOM 1011 O GLU A 58 -5.257 2.619 -6.859 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.587 5.434 -6.042 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.223 5.006 -7.470 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.490 4.930 -8.332 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.538 5.338 -7.857 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.388 4.464 -9.456 1.00 0.00 O ATOM 0 H GLU A 58 -2.878 3.337 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.244 4.469 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.518 6.001 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.816 6.095 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.520 5.717 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.726 4.036 -7.453 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.648 2.700 -5.168 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.487 1.627 -5.778 1.00 0.00 C ATOM 1025 C ILE A 59 -8.566 2.236 -6.673 1.00 0.00 C ATOM 1026 O ILE A 59 -9.073 3.310 -6.418 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.115 0.876 -4.608 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.000 0.292 -3.729 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -8.996 -0.254 -5.149 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.598 -0.593 -2.630 1.00 0.00 C ATOM 0 H ILE A 59 -6.977 3.059 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.895 0.961 -6.406 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.726 1.555 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.313 -0.292 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.421 1.099 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.447 -0.794 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.781 0.166 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.387 -0.939 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.796 -1.000 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.267 0.002 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.157 -1.411 -3.085 1.00 0.00 H new ATOM 1042 N SER A 60 -8.909 1.551 -7.726 1.00 0.00 N ATOM 1043 CA SER A 60 -9.948 2.075 -8.660 1.00 0.00 C ATOM 1044 C SER A 60 -10.668 0.910 -9.348 1.00 0.00 C ATOM 1045 O SER A 60 -10.056 -0.068 -9.721 1.00 0.00 O ATOM 1046 CB SER A 60 -9.182 2.911 -9.688 1.00 0.00 C ATOM 1047 OG SER A 60 -7.963 3.376 -9.117 1.00 0.00 O ATOM 0 H SER A 60 -8.514 0.646 -7.983 1.00 0.00 H new ATOM 0 HA SER A 60 -10.706 2.664 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.974 2.313 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.790 3.757 -10.009 1.00 0.00 H new ATOM 0 HG SER A 60 -8.083 4.292 -8.791 1.00 0.00 H new ATOM 1053 N SER A 61 -11.966 1.012 -9.525 1.00 0.00 N ATOM 1054 CA SER A 61 -12.746 -0.084 -10.200 1.00 0.00 C ATOM 1055 C SER A 61 -12.760 -1.377 -9.371 1.00 0.00 C ATOM 1056 O SER A 61 -13.289 -2.383 -9.800 1.00 0.00 O ATOM 1057 CB SER A 61 -12.034 -0.341 -11.518 1.00 0.00 C ATOM 1058 OG SER A 61 -12.924 -0.993 -12.414 1.00 0.00 O ATOM 0 H SER A 61 -12.525 1.813 -9.229 1.00 0.00 H new ATOM 0 HA SER A 61 -13.786 0.217 -10.329 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.691 0.600 -11.949 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.150 -0.957 -11.353 1.00 0.00 H new ATOM 0 HG SER A 61 -13.425 -1.684 -11.932 1.00 0.00 H new ATOM 1064 N VAL A 62 -12.182 -1.367 -8.205 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.159 -2.601 -7.363 1.00 0.00 C ATOM 1066 C VAL A 62 -13.552 -3.231 -7.280 1.00 0.00 C ATOM 1067 O VAL A 62 -14.554 -2.582 -7.500 1.00 0.00 O ATOM 1068 CB VAL A 62 -11.709 -2.125 -5.983 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -12.726 -1.126 -5.428 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -11.607 -3.325 -5.038 1.00 0.00 C ATOM 0 H VAL A 62 -11.721 -0.555 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.498 -3.362 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.735 -1.642 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.403 -0.787 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.800 -0.271 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.701 -1.607 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.286 -2.986 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.581 -3.807 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.881 -4.037 -5.431 1.00 0.00 H new ATOM 1080 N GLN A 63 -13.618 -4.495 -6.960 1.00 0.00 N ATOM 1081 CA GLN A 63 -14.943 -5.171 -6.858 1.00 0.00 C ATOM 1082 C GLN A 63 -15.489 -5.045 -5.435 1.00 0.00 C ATOM 1083 O GLN A 63 -14.840 -4.516 -4.555 1.00 0.00 O ATOM 1084 CB GLN A 63 -14.669 -6.638 -7.195 1.00 0.00 C ATOM 1085 CG GLN A 63 -13.630 -7.203 -6.226 1.00 0.00 C ATOM 1086 CD GLN A 63 -13.804 -8.720 -6.116 1.00 0.00 C ATOM 1087 OE1 GLN A 63 -14.747 -9.274 -6.642 1.00 0.00 O ATOM 1088 NE2 GLN A 63 -12.928 -9.416 -5.446 1.00 0.00 N ATOM 0 H GLN A 63 -12.812 -5.089 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.683 -4.731 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.592 -7.215 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.309 -6.725 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.625 -6.966 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.743 -6.741 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.136 -8.949 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.035 -10.427 -5.364 1.00 0.00 H new ATOM 1097 N ALA A 64 -16.675 -5.530 -5.202 1.00 0.00 N ATOM 1098 CA ALA A 64 -17.260 -5.440 -3.835 1.00 0.00 C ATOM 1099 C ALA A 64 -16.948 -6.713 -3.044 1.00 0.00 C ATOM 1100 O ALA A 64 -17.747 -7.174 -2.254 1.00 0.00 O ATOM 1101 CB ALA A 64 -18.765 -5.302 -4.056 1.00 0.00 C ATOM 0 H ALA A 64 -17.265 -5.985 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.854 -4.604 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.269 -5.230 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.966 -4.403 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.135 -6.174 -4.595 1.00 0.00 H new ATOM 1107 N SER A 65 -15.797 -7.287 -3.254 1.00 0.00 N ATOM 1108 CA SER A 65 -15.446 -8.532 -2.510 1.00 0.00 C ATOM 1109 C SER A 65 -14.000 -8.467 -2.008 1.00 0.00 C ATOM 1110 O SER A 65 -13.358 -9.480 -1.813 1.00 0.00 O ATOM 1111 CB SER A 65 -15.608 -9.665 -3.524 1.00 0.00 C ATOM 1112 OG SER A 65 -16.608 -9.314 -4.472 1.00 0.00 O ATOM 0 H SER A 65 -15.086 -6.952 -3.904 1.00 0.00 H new ATOM 0 HA SER A 65 -16.079 -8.675 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.661 -9.852 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.884 -10.588 -3.013 1.00 0.00 H new ATOM 0 HG SER A 65 -16.205 -9.246 -5.363 1.00 0.00 H new ATOM 1118 N ASP A 66 -13.483 -7.287 -1.798 1.00 0.00 N ATOM 1119 CA ASP A 66 -12.082 -7.165 -1.308 1.00 0.00 C ATOM 1120 C ASP A 66 -12.059 -6.692 0.151 1.00 0.00 C ATOM 1121 O ASP A 66 -11.010 -6.553 0.747 1.00 0.00 O ATOM 1122 CB ASP A 66 -11.442 -6.122 -2.216 1.00 0.00 C ATOM 1123 CG ASP A 66 -10.443 -6.799 -3.156 1.00 0.00 C ATOM 1124 OD1 ASP A 66 -10.823 -7.769 -3.791 1.00 0.00 O ATOM 1125 OD2 ASP A 66 -9.318 -6.334 -3.230 1.00 0.00 O ATOM 0 H ASP A 66 -13.970 -6.403 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.553 -8.118 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.210 -5.609 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.936 -5.365 -1.616 1.00 0.00 H new ATOM 1130 N GLU A 67 -13.203 -6.438 0.737 1.00 0.00 N ATOM 1131 CA GLU A 67 -13.228 -5.969 2.152 1.00 0.00 C ATOM 1132 C GLU A 67 -12.258 -4.807 2.345 1.00 0.00 C ATOM 1133 O GLU A 67 -11.673 -4.311 1.402 1.00 0.00 O ATOM 1134 CB GLU A 67 -12.774 -7.164 2.977 1.00 0.00 C ATOM 1135 CG GLU A 67 -13.955 -7.702 3.782 1.00 0.00 C ATOM 1136 CD GLU A 67 -13.903 -9.231 3.806 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -12.864 -9.763 4.164 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -14.903 -9.844 3.470 1.00 0.00 O ATOM 0 H GLU A 67 -14.117 -6.536 0.296 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.217 -5.617 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.380 -7.943 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.966 -6.871 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.924 -7.311 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.893 -7.366 3.340 1.00 0.00 H new ATOM 1145 N GLY A 68 -12.080 -4.370 3.557 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.143 -3.240 3.794 1.00 0.00 C ATOM 1147 C GLY A 68 -10.220 -3.534 4.957 1.00 0.00 C ATOM 1148 O GLY A 68 -10.492 -3.204 6.075 1.00 0.00 O ATOM 0 H GLY A 68 -12.538 -4.742 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.554 -3.057 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.709 -2.330 3.995 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.135 -4.156 4.668 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.115 -4.485 5.696 1.00 0.00 C ATOM 1154 C ASN A 69 -6.793 -4.804 4.983 1.00 0.00 C ATOM 1155 O ASN A 69 -6.360 -5.939 4.951 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.677 -5.691 6.399 1.00 0.00 C ATOM 1157 CG ASN A 69 -9.310 -5.271 7.727 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -8.679 -4.617 8.534 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -10.540 -5.622 7.989 1.00 0.00 N ATOM 0 H ASN A 69 -8.894 -4.467 3.727 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.911 -3.679 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.422 -6.176 5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.887 -6.420 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.972 -5.347 8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.069 -6.171 7.311 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.179 -3.840 4.368 1.00 0.00 N ATOM 1167 CA TYR A 70 -4.919 -4.124 3.608 1.00 0.00 C ATOM 1168 C TYR A 70 -3.689 -3.531 4.295 1.00 0.00 C ATOM 1169 O TYR A 70 -3.803 -2.821 5.260 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.129 -3.449 2.261 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.041 -4.297 1.409 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.797 -5.669 1.266 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.132 -3.708 0.764 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.651 -6.449 0.476 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -7.986 -4.487 -0.026 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.744 -5.859 -0.170 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.582 -6.630 -0.946 1.00 0.00 O ATOM 0 H TYR A 70 -6.487 -2.868 4.353 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.736 -5.196 3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.563 -2.459 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.171 -3.309 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.953 -6.124 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.317 -2.650 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.466 -7.507 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.829 -4.031 -0.523 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.500 -6.360 -1.884 1.00 0.00 H new ATOM 1187 N SER A 71 -2.505 -3.802 3.797 1.00 0.00 N ATOM 1188 CA SER A 71 -1.296 -3.211 4.443 1.00 0.00 C ATOM 1189 C SER A 71 -0.180 -2.993 3.418 1.00 0.00 C ATOM 1190 O SER A 71 -0.357 -3.197 2.235 1.00 0.00 O ATOM 1191 CB SER A 71 -0.841 -4.200 5.518 1.00 0.00 C ATOM 1192 OG SER A 71 -1.685 -5.340 5.532 1.00 0.00 O ATOM 0 H SER A 71 -2.328 -4.396 2.987 1.00 0.00 H new ATOM 0 HA SER A 71 -1.530 -2.238 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.188 -4.504 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.856 -3.717 6.495 1.00 0.00 H new ATOM 0 HG SER A 71 -1.137 -6.153 5.522 1.00 0.00 H new ATOM 1198 N VAL A 72 0.969 -2.569 3.875 1.00 0.00 N ATOM 1199 CA VAL A 72 2.110 -2.321 2.940 1.00 0.00 C ATOM 1200 C VAL A 72 3.440 -2.636 3.629 1.00 0.00 C ATOM 1201 O VAL A 72 3.925 -1.882 4.443 1.00 0.00 O ATOM 1202 CB VAL A 72 2.025 -0.832 2.592 1.00 0.00 C ATOM 1203 CG1 VAL A 72 1.985 -0.015 3.880 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.247 -0.405 1.769 1.00 0.00 C ATOM 0 H VAL A 72 1.168 -2.383 4.858 1.00 0.00 H new ATOM 0 HA VAL A 72 2.057 -2.950 2.052 1.00 0.00 H new ATOM 0 HB VAL A 72 1.122 -0.659 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.924 1.046 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.113 -0.303 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.889 -0.203 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.172 0.656 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.155 -0.583 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.284 -0.984 0.846 1.00 0.00 H new ATOM 1214 N VAL A 73 4.035 -3.741 3.296 1.00 0.00 N ATOM 1215 CA VAL A 73 5.332 -4.106 3.924 1.00 0.00 C ATOM 1216 C VAL A 73 6.488 -3.520 3.117 1.00 0.00 C ATOM 1217 O VAL A 73 6.893 -4.057 2.104 1.00 0.00 O ATOM 1218 CB VAL A 73 5.396 -5.635 3.904 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.290 -6.214 4.788 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.220 -6.137 2.475 1.00 0.00 C ATOM 0 H VAL A 73 3.679 -4.411 2.614 1.00 0.00 H new ATOM 0 HA VAL A 73 5.409 -3.717 4.939 1.00 0.00 H new ATOM 0 HB VAL A 73 6.365 -5.956 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.342 -7.303 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.421 -5.862 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.319 -5.890 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.266 -7.226 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.253 -5.811 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.015 -5.734 1.847 1.00 0.00 H new ATOM 1230 N VAL A 74 7.017 -2.421 3.566 1.00 0.00 N ATOM 1231 CA VAL A 74 8.146 -1.781 2.845 1.00 0.00 C ATOM 1232 C VAL A 74 9.473 -2.367 3.364 1.00 0.00 C ATOM 1233 O VAL A 74 9.685 -2.491 4.554 1.00 0.00 O ATOM 1234 CB VAL A 74 7.972 -0.274 3.161 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.213 0.331 3.837 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.697 0.475 1.857 1.00 0.00 C ATOM 0 H VAL A 74 6.713 -1.934 4.409 1.00 0.00 H new ATOM 0 HA VAL A 74 8.158 -1.950 1.768 1.00 0.00 H new ATOM 0 HB VAL A 74 7.139 -0.174 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.039 1.388 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.406 -0.189 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.075 0.223 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.573 1.537 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.535 0.336 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.787 0.087 1.399 1.00 0.00 H new ATOM 1246 N GLU A 75 10.358 -2.732 2.479 1.00 0.00 N ATOM 1247 CA GLU A 75 11.659 -3.315 2.920 1.00 0.00 C ATOM 1248 C GLU A 75 12.734 -3.051 1.862 1.00 0.00 C ATOM 1249 O GLU A 75 12.451 -2.521 0.809 1.00 0.00 O ATOM 1250 CB GLU A 75 11.386 -4.816 3.049 1.00 0.00 C ATOM 1251 CG GLU A 75 11.001 -5.387 1.688 1.00 0.00 C ATOM 1252 CD GLU A 75 9.604 -6.010 1.767 1.00 0.00 C ATOM 1253 OE1 GLU A 75 9.384 -6.811 2.659 1.00 0.00 O ATOM 1254 OE2 GLU A 75 8.778 -5.675 0.931 1.00 0.00 O ATOM 0 H GLU A 75 10.238 -2.652 1.469 1.00 0.00 H new ATOM 0 HA GLU A 75 12.019 -2.883 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.271 -5.325 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.584 -4.989 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.017 -4.599 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.728 -6.138 1.379 1.00 0.00 H new ATOM 1261 N ASN A 76 13.962 -3.417 2.123 1.00 0.00 N ATOM 1262 CA ASN A 76 15.034 -3.183 1.103 1.00 0.00 C ATOM 1263 C ASN A 76 16.376 -3.788 1.561 1.00 0.00 C ATOM 1264 O ASN A 76 16.406 -4.881 2.088 1.00 0.00 O ATOM 1265 CB ASN A 76 15.124 -1.660 0.945 1.00 0.00 C ATOM 1266 CG ASN A 76 15.632 -1.332 -0.463 1.00 0.00 C ATOM 1267 OD1 ASN A 76 15.022 -1.708 -1.444 1.00 0.00 O ATOM 1268 ND2 ASN A 76 16.731 -0.643 -0.602 1.00 0.00 N ATOM 0 H ASN A 76 14.269 -3.863 2.987 1.00 0.00 H new ATOM 0 HA ASN A 76 14.802 -3.665 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.146 -1.207 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.797 -1.243 1.694 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.078 -0.420 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.243 -0.328 0.222 1.00 0.00 H new ATOM 1275 N SER A 77 17.478 -3.087 1.332 1.00 0.00 N ATOM 1276 CA SER A 77 18.854 -3.583 1.705 1.00 0.00 C ATOM 1277 C SER A 77 18.841 -4.650 2.800 1.00 0.00 C ATOM 1278 O SER A 77 19.327 -5.748 2.620 1.00 0.00 O ATOM 1279 CB SER A 77 19.592 -2.336 2.193 1.00 0.00 C ATOM 1280 OG SER A 77 18.789 -1.655 3.149 1.00 0.00 O ATOM 0 H SER A 77 17.476 -2.168 0.890 1.00 0.00 H new ATOM 0 HA SER A 77 19.328 -4.067 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.547 -2.616 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.812 -1.678 1.352 1.00 0.00 H new ATOM 0 HG SER A 77 18.947 -0.690 3.081 1.00 0.00 H new ATOM 1286 N GLU A 78 18.296 -4.333 3.926 1.00 0.00 N ATOM 1287 CA GLU A 78 18.253 -5.326 5.040 1.00 0.00 C ATOM 1288 C GLU A 78 17.188 -4.942 6.065 1.00 0.00 C ATOM 1289 O GLU A 78 17.218 -5.376 7.199 1.00 0.00 O ATOM 1290 CB GLU A 78 19.643 -5.280 5.676 1.00 0.00 C ATOM 1291 CG GLU A 78 20.003 -3.836 6.020 1.00 0.00 C ATOM 1292 CD GLU A 78 20.946 -3.271 4.957 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.694 -4.044 4.383 1.00 0.00 O ATOM 1294 OE2 GLU A 78 20.901 -2.074 4.733 1.00 0.00 O ATOM 0 H GLU A 78 17.874 -3.428 4.134 1.00 0.00 H new ATOM 0 HA GLU A 78 18.000 -6.323 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.662 -5.894 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.381 -5.696 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.099 -3.230 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.478 -3.793 7.000 1.00 0.00 H new ATOM 1301 N GLY A 79 16.242 -4.139 5.676 1.00 0.00 N ATOM 1302 CA GLY A 79 15.174 -3.738 6.626 1.00 0.00 C ATOM 1303 C GLY A 79 13.842 -4.273 6.111 1.00 0.00 C ATOM 1304 O GLY A 79 13.765 -4.802 5.020 1.00 0.00 O ATOM 0 H GLY A 79 16.162 -3.743 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.383 -4.134 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.136 -2.652 6.717 1.00 0.00 H new ATOM 1308 N LYS A 80 12.792 -4.145 6.871 1.00 0.00 N ATOM 1309 CA LYS A 80 11.478 -4.663 6.388 1.00 0.00 C ATOM 1310 C LYS A 80 10.324 -4.168 7.271 1.00 0.00 C ATOM 1311 O LYS A 80 9.625 -4.947 7.887 1.00 0.00 O ATOM 1312 CB LYS A 80 11.576 -6.202 6.441 1.00 0.00 C ATOM 1313 CG LYS A 80 12.393 -6.666 7.660 1.00 0.00 C ATOM 1314 CD LYS A 80 11.732 -6.175 8.949 1.00 0.00 C ATOM 1315 CE LYS A 80 12.473 -6.754 10.158 1.00 0.00 C ATOM 1316 NZ LYS A 80 13.434 -5.693 10.572 1.00 0.00 N ATOM 0 H LYS A 80 12.783 -3.711 7.794 1.00 0.00 H new ATOM 0 HA LYS A 80 11.270 -4.308 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.575 -6.631 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.041 -6.571 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.463 -7.754 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.411 -6.282 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.749 -5.086 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.685 -6.478 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.781 -6.996 10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.993 -7.676 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.978 -6.019 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.085 -5.489 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.911 -4.829 10.822 1.00 0.00 H new ATOM 1330 N GLN A 81 10.105 -2.882 7.323 1.00 0.00 N ATOM 1331 CA GLN A 81 8.980 -2.356 8.156 1.00 0.00 C ATOM 1332 C GLN A 81 7.704 -2.301 7.311 1.00 0.00 C ATOM 1333 O GLN A 81 7.733 -2.576 6.131 1.00 0.00 O ATOM 1334 CB GLN A 81 9.418 -0.953 8.577 1.00 0.00 C ATOM 1335 CG GLN A 81 8.419 -0.392 9.589 1.00 0.00 C ATOM 1336 CD GLN A 81 9.030 0.814 10.298 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.200 0.819 10.622 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.275 1.844 10.553 1.00 0.00 N ATOM 0 H GLN A 81 10.651 -2.176 6.829 1.00 0.00 H new ATOM 0 HA GLN A 81 8.766 -2.982 9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.416 -0.987 9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.475 -0.301 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.498 -0.101 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.154 -1.159 10.317 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.292 1.836 10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.666 2.658 11.026 1.00 0.00 H new ATOM 1347 N GLU A 82 6.582 -1.969 7.897 1.00 0.00 N ATOM 1348 CA GLU A 82 5.317 -1.924 7.102 1.00 0.00 C ATOM 1349 C GLU A 82 4.336 -0.895 7.670 1.00 0.00 C ATOM 1350 O GLU A 82 4.606 -0.211 8.638 1.00 0.00 O ATOM 1351 CB GLU A 82 4.731 -3.331 7.226 1.00 0.00 C ATOM 1352 CG GLU A 82 4.418 -3.633 8.694 1.00 0.00 C ATOM 1353 CD GLU A 82 3.487 -4.844 8.779 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.529 -4.885 8.022 1.00 0.00 O ATOM 1355 OE2 GLU A 82 3.746 -5.710 9.597 1.00 0.00 O ATOM 0 H GLU A 82 6.487 -1.729 8.884 1.00 0.00 H new ATOM 0 HA GLU A 82 5.504 -1.632 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.824 -3.412 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.437 -4.065 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.340 -3.831 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.950 -2.767 9.162 1.00 0.00 H new ATOM 1362 N ALA A 83 3.192 -0.801 7.059 1.00 0.00 N ATOM 1363 CA ALA A 83 2.149 0.155 7.518 1.00 0.00 C ATOM 1364 C ALA A 83 0.781 -0.482 7.279 1.00 0.00 C ATOM 1365 O ALA A 83 0.415 -0.772 6.158 1.00 0.00 O ATOM 1366 CB ALA A 83 2.331 1.394 6.642 1.00 0.00 C ATOM 0 H ALA A 83 2.930 -1.357 6.245 1.00 0.00 H new ATOM 0 HA ALA A 83 2.225 0.409 8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.595 2.148 6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.334 1.796 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.194 1.123 5.595 1.00 0.00 H new ATOM 1372 N GLU A 84 0.035 -0.735 8.316 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.286 -1.390 8.117 1.00 0.00 C ATOM 1374 C GLU A 84 -2.422 -0.366 8.073 1.00 0.00 C ATOM 1375 O GLU A 84 -2.383 0.667 8.710 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.451 -2.332 9.307 1.00 0.00 C ATOM 1377 CG GLU A 84 -2.031 -3.661 8.817 1.00 0.00 C ATOM 1378 CD GLU A 84 -0.911 -4.695 8.690 1.00 0.00 C ATOM 1379 OE1 GLU A 84 0.191 -4.305 8.345 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -1.177 -5.860 8.934 1.00 0.00 O ATOM 0 H GLU A 84 0.279 -0.520 9.283 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.326 -1.920 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.489 -2.498 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.110 -1.886 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.790 -4.017 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.522 -3.522 7.854 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.438 -0.676 7.320 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.612 0.217 7.193 1.00 0.00 C ATOM 1389 C PHE A 85 -5.758 -0.609 6.620 1.00 0.00 C ATOM 1390 O PHE A 85 -5.618 -1.796 6.413 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.196 1.308 6.201 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.747 0.677 4.905 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.688 0.377 3.912 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.391 0.393 4.692 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.275 -0.205 2.707 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.978 -0.188 3.487 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.921 -0.488 2.495 1.00 0.00 C ATOM 0 H PHE A 85 -3.501 -1.535 6.774 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.928 0.654 8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.032 1.983 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.389 1.907 6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.733 0.595 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.665 0.622 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.001 -0.435 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.933 -0.405 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.603 -0.938 1.566 1.00 0.00 H new ATOM 1407 N THR A 86 -6.880 -0.017 6.354 1.00 0.00 N ATOM 1408 CA THR A 86 -7.993 -0.815 5.784 1.00 0.00 C ATOM 1409 C THR A 86 -8.699 -0.039 4.671 1.00 0.00 C ATOM 1410 O THR A 86 -8.760 1.175 4.681 1.00 0.00 O ATOM 1411 CB THR A 86 -8.918 -1.105 6.949 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.500 0.102 7.418 1.00 0.00 O ATOM 1413 CG2 THR A 86 -8.129 -1.779 8.070 1.00 0.00 C ATOM 0 H THR A 86 -7.076 0.973 6.504 1.00 0.00 H new ATOM 0 HA THR A 86 -7.645 -1.740 5.324 1.00 0.00 H new ATOM 0 HB THR A 86 -9.715 -1.772 6.621 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.098 -0.093 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.794 -1.988 8.908 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.702 -2.713 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.327 -1.118 8.399 1.00 0.00 H new ATOM 1421 N LEU A 87 -9.209 -0.744 3.698 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.890 -0.084 2.545 1.00 0.00 C ATOM 1423 C LEU A 87 -11.234 -0.747 2.291 1.00 0.00 C ATOM 1424 O LEU A 87 -11.332 -1.740 1.601 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.934 -0.323 1.370 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.124 0.938 1.023 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -7.784 1.759 2.270 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.817 0.516 0.350 1.00 0.00 C ATOM 0 H LEU A 87 -9.183 -1.763 3.652 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.090 0.975 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.251 -1.136 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.504 -0.640 0.497 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.731 1.555 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.212 2.640 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.705 2.070 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.193 1.152 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.234 1.402 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.244 -0.114 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.040 -0.041 -0.560 1.00 0.00 H new ATOM 1440 N THR A 88 -12.270 -0.212 2.854 1.00 0.00 N ATOM 1441 CA THR A 88 -13.609 -0.844 2.674 1.00 0.00 C ATOM 1442 C THR A 88 -14.266 -0.367 1.381 1.00 0.00 C ATOM 1443 O THR A 88 -13.887 0.630 0.799 1.00 0.00 O ATOM 1444 CB THR A 88 -14.437 -0.409 3.890 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.574 -0.035 4.958 1.00 0.00 O ATOM 1446 CG2 THR A 88 -15.325 -1.572 4.337 1.00 0.00 C ATOM 0 H THR A 88 -12.256 0.630 3.429 1.00 0.00 H new ATOM 0 HA THR A 88 -13.532 -1.929 2.603 1.00 0.00 H new ATOM 0 HB THR A 88 -15.056 0.445 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.110 0.243 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.916 -1.268 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.992 -1.854 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.701 -2.424 4.606 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.245 -1.097 0.925 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.932 -0.733 -0.342 1.00 0.00 C ATOM 1456 C ILE A 89 -17.439 -0.906 -0.186 1.00 0.00 C ATOM 1457 O ILE A 89 -18.116 -1.402 -1.063 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.395 -1.690 -1.410 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.591 -3.157 -0.964 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.915 -1.392 -1.668 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.548 -3.574 0.082 1.00 0.00 C ATOM 0 H ILE A 89 -15.601 -1.937 1.381 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.747 0.306 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.949 -1.543 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.592 -3.281 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.520 -3.814 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.534 -2.074 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.806 -0.364 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.351 -1.526 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.717 -4.611 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.548 -3.474 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.636 -2.933 0.959 1.00 0.00 H new ATOM 1473 N GLN A 90 -17.964 -0.497 0.925 1.00 0.00 N ATOM 1474 CA GLN A 90 -19.428 -0.626 1.152 1.00 0.00 C ATOM 1475 C GLN A 90 -19.872 0.332 2.259 1.00 0.00 C ATOM 1476 O GLN A 90 -19.112 0.673 3.143 1.00 0.00 O ATOM 1477 CB GLN A 90 -19.627 -2.071 1.584 1.00 0.00 C ATOM 1478 CG GLN A 90 -21.109 -2.436 1.489 1.00 0.00 C ATOM 1479 CD GLN A 90 -21.385 -3.074 0.129 1.00 0.00 C ATOM 1480 OE1 GLN A 90 -20.725 -4.018 -0.257 1.00 0.00 O ATOM 1481 NE2 GLN A 90 -22.339 -2.597 -0.621 1.00 0.00 N ATOM 0 H GLN A 90 -17.442 -0.075 1.693 1.00 0.00 H new ATOM 0 HA GLN A 90 -20.012 -0.380 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -19.038 -2.735 0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -19.273 -2.208 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -21.377 -3.126 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -21.724 -1.545 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -22.894 -1.804 -0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -22.531 -3.016 -1.531 1.00 0.00 H new ATOM 1490 N LYS A 91 -21.097 0.769 2.213 1.00 0.00 N ATOM 1491 CA LYS A 91 -21.599 1.708 3.260 1.00 0.00 C ATOM 1492 C LYS A 91 -21.318 1.147 4.658 1.00 0.00 C ATOM 1493 O LYS A 91 -21.245 1.935 5.586 1.00 0.00 O ATOM 1494 CB LYS A 91 -23.106 1.804 3.015 1.00 0.00 C ATOM 1495 CG LYS A 91 -23.498 3.269 2.812 1.00 0.00 C ATOM 1496 CD LYS A 91 -23.588 3.966 4.171 1.00 0.00 C ATOM 1497 CE LYS A 91 -24.023 5.419 3.971 1.00 0.00 C ATOM 1498 NZ LYS A 91 -24.460 5.877 5.320 1.00 0.00 N ATOM 1499 OXT LYS A 91 -21.180 -0.060 4.774 1.00 0.00 O ATOM 0 H LYS A 91 -21.777 0.518 1.495 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.113 2.682 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -23.381 1.218 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -23.650 1.385 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.762 3.770 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -24.455 3.332 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.301 3.447 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.622 3.930 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.202 6.029 3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.834 5.493 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -24.774 6.867 5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.246 5.282 5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -23.665 5.802 5.986 1.00 0.00 H new TER 1513 LYS A 91