USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 673 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 74 THR OG1 : rot 110:sc= -2.66! USER MOD Set 1.2: A 77 MET CE :methyl 139:sc= -10.3! (180deg=-12.2!) USER MOD Set 2.1: A 63 SER OG : rot -90:sc= -1.36 USER MOD Set 2.2: A 96 GLN : amide:sc= -1.66 K(o=-3,f=-6.6!) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= -0.0255 USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 25 GLN : amide:sc= -3.26! C(o=-3.6!,f=-10!) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -176:sc= -0.356 (180deg=-0.548) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.0494 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -36:sc= 1.14 USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -1.81! (180deg=-2.62!) USER MOD Single : A 45 THR OG1 : rot -129:sc= -1.38 USER MOD Single : A 48 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-0.85) USER MOD Single : A 49 MET CE :methyl -161:sc= -7.17! (180deg=-7.91!) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= 2.01 (180deg=0.115) USER MOD Single : A 54 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-8.2!) USER MOD Single : A 64 GLN : amide:sc= -4.9! C(o=-4.9!,f=-5.5!) USER MOD Single : A 69 SER OG : rot 102:sc= 0.909 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= -0.0239 (180deg=-0.292) USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= -5.77! (180deg=-10.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.23) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 100 ASN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -18.785 -7.071 -1.103 1.00 0.00 N ATOM 2 CA GLY A 21 -18.091 -6.274 -2.151 1.00 0.00 C ATOM 3 C GLY A 21 -18.044 -4.793 -1.824 1.00 0.00 C ATOM 4 O GLY A 21 -18.082 -3.951 -2.722 1.00 0.00 O ATOM 0 HA2 GLY A 21 -17.074 -6.648 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.599 -6.415 -3.105 1.00 0.00 H new ATOM 8 N TYR A 22 -17.963 -4.473 -0.536 1.00 0.00 N ATOM 9 CA TYR A 22 -17.911 -3.083 -0.096 1.00 0.00 C ATOM 10 C TYR A 22 -16.768 -2.868 0.890 1.00 0.00 C ATOM 11 O TYR A 22 -16.872 -2.051 1.806 1.00 0.00 O ATOM 12 CB TYR A 22 -19.238 -2.680 0.550 1.00 0.00 C ATOM 13 CG TYR A 22 -20.423 -2.775 -0.384 1.00 0.00 C ATOM 14 CD1 TYR A 22 -20.772 -1.709 -1.204 1.00 0.00 C ATOM 15 CD2 TYR A 22 -21.193 -3.929 -0.445 1.00 0.00 C ATOM 16 CE1 TYR A 22 -21.856 -1.791 -2.058 1.00 0.00 C ATOM 17 CE2 TYR A 22 -22.277 -4.019 -1.298 1.00 0.00 C ATOM 18 CZ TYR A 22 -22.605 -2.948 -2.101 1.00 0.00 C ATOM 19 OH TYR A 22 -23.683 -3.033 -2.950 1.00 0.00 O ATOM 0 H TYR A 22 -17.932 -5.157 0.220 1.00 0.00 H new ATOM 0 HA TYR A 22 -17.736 -2.457 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -19.418 -3.316 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -19.157 -1.657 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -20.187 -0.802 -1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -20.941 -4.770 0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -22.115 -0.953 -2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -22.864 -4.925 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 22 -24.102 -3.914 -2.859 1.00 0.00 H new ATOM 29 N GLU A 23 -15.679 -3.603 0.697 1.00 0.00 N ATOM 30 CA GLU A 23 -14.517 -3.491 1.571 1.00 0.00 C ATOM 31 C GLU A 23 -13.273 -4.064 0.903 1.00 0.00 C ATOM 32 O GLU A 23 -13.356 -5.008 0.118 1.00 0.00 O ATOM 33 CB GLU A 23 -14.778 -4.212 2.895 1.00 0.00 C ATOM 34 CG GLU A 23 -15.067 -5.695 2.731 1.00 0.00 C ATOM 35 CD GLU A 23 -15.319 -6.389 4.056 1.00 0.00 C ATOM 36 OE1 GLU A 23 -16.490 -6.441 4.486 1.00 0.00 O ATOM 37 OE2 GLU A 23 -14.344 -6.881 4.663 1.00 0.00 O ATOM 0 H GLU A 23 -15.576 -4.283 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.344 -2.433 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.911 -4.088 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.622 -3.739 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.937 -5.823 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.225 -6.172 2.229 1.00 0.00 H new ATOM 44 N CYS A 24 -12.120 -3.486 1.221 1.00 0.00 N ATOM 45 CA CYS A 24 -10.854 -3.937 0.655 1.00 0.00 C ATOM 46 C CYS A 24 -9.766 -3.961 1.725 1.00 0.00 C ATOM 47 O CYS A 24 -9.820 -3.205 2.692 1.00 0.00 O ATOM 48 CB CYS A 24 -10.435 -3.024 -0.500 1.00 0.00 C ATOM 49 SG CYS A 24 -11.646 -2.927 -1.838 1.00 0.00 S ATOM 0 H CYS A 24 -12.036 -2.703 1.869 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.989 -4.949 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.258 -2.021 -0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.488 -3.380 -0.906 1.00 0.00 H new ATOM 0 HG CYS A 24 -11.204 -2.131 -2.766 1.00 0.00 H new ATOM 55 N GLN A 25 -8.785 -4.838 1.548 1.00 0.00 N ATOM 56 CA GLN A 25 -7.684 -4.966 2.496 1.00 0.00 C ATOM 57 C GLN A 25 -6.490 -5.632 1.824 1.00 0.00 C ATOM 58 O GLN A 25 -6.607 -6.731 1.283 1.00 0.00 O ATOM 59 CB GLN A 25 -8.116 -5.779 3.719 1.00 0.00 C ATOM 60 CG GLN A 25 -9.378 -5.260 4.392 1.00 0.00 C ATOM 61 CD GLN A 25 -9.741 -6.047 5.636 1.00 0.00 C ATOM 62 OE1 GLN A 25 -9.453 -7.240 5.737 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.380 -5.383 6.591 1.00 0.00 N ATOM 0 H GLN A 25 -8.729 -5.474 0.753 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.397 -3.968 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.277 -6.814 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.304 -5.782 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.239 -4.212 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.206 -5.303 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.599 -4.395 6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.652 -5.861 7.450 1.00 0.00 H new ATOM 72 N LEU A 26 -5.340 -4.969 1.864 1.00 0.00 N ATOM 73 CA LEU A 26 -4.135 -5.505 1.235 1.00 0.00 C ATOM 74 C LEU A 26 -2.958 -5.536 2.198 1.00 0.00 C ATOM 75 O LEU A 26 -2.879 -4.734 3.129 1.00 0.00 O ATOM 76 CB LEU A 26 -3.763 -4.679 0.004 1.00 0.00 C ATOM 77 CG LEU A 26 -3.359 -3.229 0.285 1.00 0.00 C ATOM 78 CD1 LEU A 26 -2.675 -2.620 -0.931 1.00 0.00 C ATOM 79 CD2 LEU A 26 -4.572 -2.403 0.686 1.00 0.00 C ATOM 0 H LEU A 26 -5.215 -4.066 2.321 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.357 -6.530 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.940 -5.175 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.611 -4.676 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.652 -3.224 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.395 -1.589 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.781 -3.196 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.358 -2.638 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.264 -1.376 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.304 -2.415 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.018 -2.826 1.586 1.00 0.00 H new ATOM 91 N ARG A 27 -2.037 -6.468 1.954 1.00 0.00 N ATOM 92 CA ARG A 27 -0.853 -6.612 2.789 1.00 0.00 C ATOM 93 C ARG A 27 0.282 -5.732 2.266 1.00 0.00 C ATOM 94 O ARG A 27 0.529 -5.678 1.062 1.00 0.00 O ATOM 95 CB ARG A 27 -0.400 -8.073 2.820 1.00 0.00 C ATOM 96 CG ARG A 27 -1.401 -9.012 3.472 1.00 0.00 C ATOM 97 CD ARG A 27 -0.913 -10.452 3.444 1.00 0.00 C ATOM 98 NE ARG A 27 0.302 -10.634 4.234 1.00 0.00 N ATOM 99 CZ ARG A 27 1.038 -11.742 4.219 1.00 0.00 C ATOM 100 NH1 ARG A 27 0.691 -12.768 3.452 1.00 0.00 N ATOM 101 NH2 ARG A 27 2.127 -11.826 4.972 1.00 0.00 N ATOM 0 H ARG A 27 -2.092 -7.134 1.183 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.108 -6.295 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.214 -8.408 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.547 -8.139 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.572 -8.704 4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.358 -8.941 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.696 -11.107 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.723 -10.750 2.413 1.00 0.00 H new ATOM 0 HE ARG A 27 0.604 -9.866 4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.144 -12.710 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.260 -13.615 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.400 -11.041 5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.691 -12.676 4.960 1.00 0.00 H new ATOM 115 N LEU A 28 0.969 -5.051 3.176 1.00 0.00 N ATOM 116 CA LEU A 28 2.084 -4.182 2.803 1.00 0.00 C ATOM 117 C LEU A 28 3.382 -4.682 3.388 1.00 0.00 C ATOM 118 O LEU A 28 3.517 -4.752 4.602 1.00 0.00 O ATOM 119 CB LEU A 28 1.861 -2.773 3.329 1.00 0.00 C ATOM 120 CG LEU A 28 0.955 -1.885 2.479 1.00 0.00 C ATOM 121 CD1 LEU A 28 1.781 -1.170 1.425 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.160 -2.699 1.833 1.00 0.00 C ATOM 0 H LEU A 28 0.775 -5.082 4.177 1.00 0.00 H new ATOM 0 HA LEU A 28 2.138 -4.183 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.436 -2.842 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.830 -2.284 3.427 1.00 0.00 H new ATOM 0 HG LEU A 28 0.487 -1.143 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.131 -0.537 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.537 -0.554 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.269 -1.905 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.790 -2.042 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.274 -3.468 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.763 -3.171 2.609 1.00 0.00 H new ATOM 134 N ARG A 29 4.342 -5.004 2.539 1.00 0.00 N ATOM 135 CA ARG A 29 5.630 -5.468 3.021 1.00 0.00 C ATOM 136 C ARG A 29 6.682 -4.383 2.807 1.00 0.00 C ATOM 137 O ARG A 29 7.153 -4.174 1.689 1.00 0.00 O ATOM 138 CB ARG A 29 6.019 -6.764 2.319 1.00 0.00 C ATOM 139 CG ARG A 29 6.208 -6.628 0.817 1.00 0.00 C ATOM 140 CD ARG A 29 6.454 -7.978 0.163 1.00 0.00 C ATOM 141 NE ARG A 29 7.669 -8.617 0.664 1.00 0.00 N ATOM 142 CZ ARG A 29 8.253 -9.660 0.079 1.00 0.00 C ATOM 143 NH1 ARG A 29 7.738 -10.185 -1.026 1.00 0.00 N ATOM 144 NH2 ARG A 29 9.356 -10.182 0.602 1.00 0.00 N ATOM 0 H ARG A 29 4.256 -4.954 1.524 1.00 0.00 H new ATOM 0 HA ARG A 29 5.565 -5.675 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.944 -7.138 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.250 -7.512 2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.324 -6.165 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.049 -5.965 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.600 -8.630 0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.531 -7.849 -0.917 1.00 0.00 H new ATOM 0 HE ARG A 29 8.094 -8.242 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.890 -9.789 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.190 -10.984 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.755 -9.784 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.804 -10.981 0.154 1.00 0.00 H new ATOM 158 N LEU A 30 7.048 -3.690 3.885 1.00 0.00 N ATOM 159 CA LEU A 30 8.014 -2.602 3.790 1.00 0.00 C ATOM 160 C LEU A 30 9.445 -3.111 3.900 1.00 0.00 C ATOM 161 O LEU A 30 9.720 -4.112 4.561 1.00 0.00 O ATOM 162 CB LEU A 30 7.753 -1.514 4.850 1.00 0.00 C ATOM 163 CG LEU A 30 6.374 -0.808 4.867 1.00 0.00 C ATOM 164 CD1 LEU A 30 6.451 0.544 4.171 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.254 -1.667 4.284 1.00 0.00 C ATOM 0 H LEU A 30 6.692 -3.862 4.825 1.00 0.00 H new ATOM 0 HA LEU A 30 7.885 -2.155 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.906 -1.964 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.516 -0.745 4.730 1.00 0.00 H new ATOM 0 HG LEU A 30 6.119 -0.648 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.472 1.022 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.176 1.176 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.761 0.403 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.314 -1.116 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.486 -1.913 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.161 -2.586 4.863 1.00 0.00 H new ATOM 177 N SER A 31 10.353 -2.395 3.234 1.00 0.00 N ATOM 178 CA SER A 31 11.769 -2.745 3.217 1.00 0.00 C ATOM 179 C SER A 31 12.327 -2.911 4.626 1.00 0.00 C ATOM 180 O SER A 31 13.364 -3.547 4.815 1.00 0.00 O ATOM 181 CB SER A 31 12.570 -1.677 2.470 1.00 0.00 C ATOM 182 OG SER A 31 13.935 -2.042 2.369 1.00 0.00 O ATOM 0 H SER A 31 10.126 -1.560 2.694 1.00 0.00 H new ATOM 0 HA SER A 31 11.862 -3.701 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.153 -1.536 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.483 -0.723 2.989 1.00 0.00 H new ATOM 0 HG SER A 31 14.425 -1.344 1.886 1.00 0.00 H new ATOM 188 N THR A 32 11.646 -2.339 5.616 1.00 0.00 N ATOM 189 CA THR A 32 12.095 -2.452 6.995 1.00 0.00 C ATOM 190 C THR A 32 11.506 -3.698 7.647 1.00 0.00 C ATOM 191 O THR A 32 11.621 -3.893 8.857 1.00 0.00 O ATOM 192 CB THR A 32 11.702 -1.214 7.823 1.00 0.00 C ATOM 193 OG1 THR A 32 12.173 -1.352 9.168 1.00 0.00 O ATOM 194 CG2 THR A 32 10.193 -1.021 7.828 1.00 0.00 C ATOM 0 H THR A 32 10.790 -1.799 5.488 1.00 0.00 H new ATOM 0 HA THR A 32 13.182 -2.525 6.975 1.00 0.00 H new ATOM 0 HB THR A 32 12.163 -0.339 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.111 -2.291 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.941 -0.141 8.419 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.840 -0.885 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.715 -1.899 8.263 1.00 0.00 H new ATOM 202 N GLY A 33 10.875 -4.540 6.832 1.00 0.00 N ATOM 203 CA GLY A 33 10.264 -5.744 7.339 1.00 0.00 C ATOM 204 C GLY A 33 8.915 -5.434 7.929 1.00 0.00 C ATOM 205 O GLY A 33 8.536 -5.980 8.966 1.00 0.00 O ATOM 0 H GLY A 33 10.779 -4.403 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.159 -6.473 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.905 -6.195 8.096 1.00 0.00 H new ATOM 209 N LYS A 34 8.184 -4.547 7.261 1.00 0.00 N ATOM 210 CA LYS A 34 6.881 -4.133 7.743 1.00 0.00 C ATOM 211 C LYS A 34 5.766 -4.711 6.886 1.00 0.00 C ATOM 212 O LYS A 34 5.351 -4.104 5.906 1.00 0.00 O ATOM 213 CB LYS A 34 6.806 -2.608 7.754 1.00 0.00 C ATOM 214 CG LYS A 34 6.090 -2.036 8.965 1.00 0.00 C ATOM 215 CD LYS A 34 4.780 -2.744 9.249 1.00 0.00 C ATOM 216 CE LYS A 34 3.849 -2.710 8.054 1.00 0.00 C ATOM 217 NZ LYS A 34 2.908 -1.558 8.103 1.00 0.00 N ATOM 0 H LYS A 34 8.475 -4.106 6.389 1.00 0.00 H new ATOM 0 HA LYS A 34 6.748 -4.513 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.818 -2.204 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.296 -2.273 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.739 -2.114 9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.899 -0.975 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.979 -3.780 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.292 -2.275 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.438 -2.656 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.280 -3.639 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.048 -1.789 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.655 -1.358 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.362 -0.721 7.686 1.00 0.00 H new ATOM 231 N ASP A 35 5.286 -5.888 7.258 1.00 0.00 N ATOM 232 CA ASP A 35 4.208 -6.531 6.521 1.00 0.00 C ATOM 233 C ASP A 35 2.910 -6.461 7.317 1.00 0.00 C ATOM 234 O ASP A 35 2.616 -7.336 8.130 1.00 0.00 O ATOM 235 CB ASP A 35 4.561 -7.987 6.216 1.00 0.00 C ATOM 236 CG ASP A 35 4.832 -8.794 7.471 1.00 0.00 C ATOM 237 OD1 ASP A 35 5.982 -8.763 7.959 1.00 0.00 O ATOM 238 OD2 ASP A 35 3.896 -9.458 7.963 1.00 0.00 O ATOM 0 H ASP A 35 5.624 -6.416 8.063 1.00 0.00 H new ATOM 0 HA ASP A 35 4.072 -6.002 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.743 -8.447 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.440 -8.017 5.572 1.00 0.00 H new ATOM 243 N LEU A 36 2.141 -5.409 7.073 1.00 0.00 N ATOM 244 CA LEU A 36 0.878 -5.206 7.762 1.00 0.00 C ATOM 245 C LEU A 36 -0.222 -4.935 6.752 1.00 0.00 C ATOM 246 O LEU A 36 -0.092 -4.062 5.892 1.00 0.00 O ATOM 247 CB LEU A 36 0.988 -4.044 8.754 1.00 0.00 C ATOM 248 CG LEU A 36 -0.201 -3.868 9.705 1.00 0.00 C ATOM 249 CD1 LEU A 36 -1.411 -3.321 8.964 1.00 0.00 C ATOM 250 CD2 LEU A 36 -0.540 -5.188 10.382 1.00 0.00 C ATOM 0 H LEU A 36 2.373 -4.680 6.399 1.00 0.00 H new ATOM 0 HA LEU A 36 0.633 -6.110 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.889 -4.184 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.119 -3.120 8.190 1.00 0.00 H new ATOM 0 HG LEU A 36 0.080 -3.147 10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.242 -3.205 9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.164 -2.353 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.696 -4.013 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.386 -5.045 11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.798 -5.929 9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.321 -5.536 10.952 1.00 0.00 H new ATOM 262 N LYS A 37 -1.297 -5.695 6.850 1.00 0.00 N ATOM 263 CA LYS A 37 -2.416 -5.546 5.940 1.00 0.00 C ATOM 264 C LYS A 37 -3.310 -4.382 6.360 1.00 0.00 C ATOM 265 O LYS A 37 -4.033 -4.455 7.353 1.00 0.00 O ATOM 266 CB LYS A 37 -3.178 -6.874 5.859 1.00 0.00 C ATOM 267 CG LYS A 37 -4.693 -6.761 5.771 1.00 0.00 C ATOM 268 CD LYS A 37 -5.343 -8.136 5.826 1.00 0.00 C ATOM 269 CE LYS A 37 -6.853 -8.045 5.969 1.00 0.00 C ATOM 270 NZ LYS A 37 -7.253 -7.204 7.131 1.00 0.00 N ATOM 0 H LYS A 37 -1.418 -6.424 7.553 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.051 -5.304 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.822 -7.424 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.927 -7.470 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.064 -6.146 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.971 -6.259 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.097 -8.690 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.932 -8.698 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.279 -7.629 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.267 -9.046 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.288 -7.223 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.812 -7.576 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.939 -6.225 6.976 1.00 0.00 H new ATOM 284 N LEU A 38 -3.231 -3.301 5.590 1.00 0.00 N ATOM 285 CA LEU A 38 -4.013 -2.100 5.854 1.00 0.00 C ATOM 286 C LEU A 38 -5.389 -2.199 5.200 1.00 0.00 C ATOM 287 O LEU A 38 -5.528 -2.725 4.092 1.00 0.00 O ATOM 288 CB LEU A 38 -3.258 -0.861 5.341 1.00 0.00 C ATOM 289 CG LEU A 38 -4.128 0.343 4.969 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.708 0.992 6.216 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.317 1.351 4.172 1.00 0.00 C ATOM 0 H LEU A 38 -2.627 -3.234 4.771 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.157 -2.004 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.547 -0.549 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.677 -1.150 4.465 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.955 -0.006 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.323 1.845 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.320 0.267 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.897 1.329 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.947 2.202 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.472 1.693 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.949 0.882 3.260 1.00 0.00 H new ATOM 303 N VAL A 39 -6.402 -1.695 5.900 1.00 0.00 N ATOM 304 CA VAL A 39 -7.766 -1.710 5.394 1.00 0.00 C ATOM 305 C VAL A 39 -7.989 -0.577 4.397 1.00 0.00 C ATOM 306 O VAL A 39 -7.380 0.486 4.506 1.00 0.00 O ATOM 307 CB VAL A 39 -8.792 -1.589 6.538 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.667 -2.767 7.492 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.615 -0.274 7.280 1.00 0.00 C ATOM 0 H VAL A 39 -6.300 -1.271 6.822 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.911 -2.667 4.892 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.793 -1.603 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.399 -2.665 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.849 -3.695 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.664 -2.786 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.349 -0.208 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.611 -0.226 7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.759 0.556 6.588 1.00 0.00 H new ATOM 319 N VAL A 40 -8.873 -0.813 3.436 1.00 0.00 N ATOM 320 CA VAL A 40 -9.180 0.174 2.411 1.00 0.00 C ATOM 321 C VAL A 40 -10.526 -0.130 1.772 1.00 0.00 C ATOM 322 O VAL A 40 -11.086 -1.209 1.970 1.00 0.00 O ATOM 323 CB VAL A 40 -8.101 0.200 1.310 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.764 0.654 1.875 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.975 -1.166 0.656 1.00 0.00 C ATOM 0 H VAL A 40 -9.393 -1.686 3.346 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.209 1.149 2.898 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.406 0.918 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.018 0.665 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.866 1.657 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.448 -0.033 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.209 -1.129 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.696 -1.905 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.929 -1.445 0.210 1.00 0.00 H new ATOM 335 N ARG A 41 -11.035 0.809 0.991 1.00 0.00 N ATOM 336 CA ARG A 41 -12.313 0.628 0.336 1.00 0.00 C ATOM 337 C ARG A 41 -12.372 1.402 -0.980 1.00 0.00 C ATOM 338 O ARG A 41 -12.585 2.609 -0.988 1.00 0.00 O ATOM 339 CB ARG A 41 -13.434 1.051 1.288 1.00 0.00 C ATOM 340 CG ARG A 41 -13.628 2.554 1.418 1.00 0.00 C ATOM 341 CD ARG A 41 -14.559 2.896 2.570 1.00 0.00 C ATOM 342 NE ARG A 41 -15.885 2.308 2.394 1.00 0.00 N ATOM 343 CZ ARG A 41 -16.853 2.376 3.305 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.648 3.003 4.456 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.029 1.814 3.064 1.00 0.00 N ATOM 0 H ARG A 41 -10.581 1.702 0.798 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.443 -0.426 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.369 0.607 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.227 0.639 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.662 3.035 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.036 2.951 0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.126 2.540 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.651 3.979 2.653 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.080 1.817 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.745 3.436 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.394 3.052 5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.192 1.330 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.771 1.866 3.762 1.00 0.00 H new ATOM 359 N SER A 42 -12.140 0.684 -2.079 1.00 0.00 N ATOM 360 CA SER A 42 -12.167 1.226 -3.447 1.00 0.00 C ATOM 361 C SER A 42 -11.556 2.627 -3.592 1.00 0.00 C ATOM 362 O SER A 42 -10.749 2.857 -4.492 1.00 0.00 O ATOM 363 CB SER A 42 -13.607 1.246 -3.963 1.00 0.00 C ATOM 364 OG SER A 42 -14.437 2.038 -3.131 1.00 0.00 O ATOM 0 H SER A 42 -11.923 -0.312 -2.048 1.00 0.00 H new ATOM 0 HA SER A 42 -11.540 0.561 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.627 1.638 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.995 0.228 -4.006 1.00 0.00 H new ATOM 0 HG SER A 42 -15.351 2.035 -3.484 1.00 0.00 H new ATOM 370 N THR A 43 -11.928 3.556 -2.723 1.00 0.00 N ATOM 371 CA THR A 43 -11.388 4.906 -2.775 1.00 0.00 C ATOM 372 C THR A 43 -10.071 4.993 -2.012 1.00 0.00 C ATOM 373 O THR A 43 -9.331 5.967 -2.146 1.00 0.00 O ATOM 374 CB THR A 43 -12.381 5.930 -2.192 1.00 0.00 C ATOM 375 OG1 THR A 43 -13.643 5.824 -2.862 1.00 0.00 O ATOM 376 CG2 THR A 43 -11.847 7.348 -2.332 1.00 0.00 C ATOM 0 H THR A 43 -12.602 3.399 -1.973 1.00 0.00 H new ATOM 0 HA THR A 43 -11.214 5.143 -3.825 1.00 0.00 H new ATOM 0 HB THR A 43 -12.510 5.711 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.269 6.477 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.567 8.051 -1.913 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.901 7.435 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.690 7.575 -3.386 1.00 0.00 H new ATOM 384 N ASP A 44 -9.780 3.970 -1.210 1.00 0.00 N ATOM 385 CA ASP A 44 -8.550 3.949 -0.433 1.00 0.00 C ATOM 386 C ASP A 44 -7.456 3.154 -1.148 1.00 0.00 C ATOM 387 O ASP A 44 -6.731 2.375 -0.527 1.00 0.00 O ATOM 388 CB ASP A 44 -8.805 3.374 0.962 1.00 0.00 C ATOM 389 CG ASP A 44 -9.457 4.380 1.891 1.00 0.00 C ATOM 390 OD1 ASP A 44 -10.704 4.433 1.929 1.00 0.00 O ATOM 391 OD2 ASP A 44 -8.720 5.117 2.579 1.00 0.00 O ATOM 0 H ASP A 44 -10.377 3.152 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.204 4.977 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.443 2.494 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.861 3.043 1.394 1.00 0.00 H new ATOM 396 N THR A 45 -7.348 3.359 -2.458 1.00 0.00 N ATOM 397 CA THR A 45 -6.343 2.680 -3.274 1.00 0.00 C ATOM 398 C THR A 45 -4.935 2.975 -2.769 1.00 0.00 C ATOM 399 O THR A 45 -4.754 3.832 -1.913 1.00 0.00 O ATOM 400 CB THR A 45 -6.451 3.114 -4.744 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.212 4.521 -4.860 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.829 2.780 -5.293 1.00 0.00 C ATOM 0 H THR A 45 -7.949 3.995 -2.982 1.00 0.00 H new ATOM 0 HA THR A 45 -6.532 1.609 -3.197 1.00 0.00 H new ATOM 0 HB THR A 45 -5.700 2.575 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.937 4.935 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.891 3.093 -6.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.996 1.705 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.589 3.302 -4.711 1.00 0.00 H new ATOM 410 N VAL A 46 -3.953 2.260 -3.311 1.00 0.00 N ATOM 411 CA VAL A 46 -2.542 2.411 -2.935 1.00 0.00 C ATOM 412 C VAL A 46 -2.194 3.827 -2.447 1.00 0.00 C ATOM 413 O VAL A 46 -1.325 3.989 -1.597 1.00 0.00 O ATOM 414 CB VAL A 46 -1.609 1.995 -4.098 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.314 2.787 -4.082 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.314 0.495 -4.028 1.00 0.00 C ATOM 0 H VAL A 46 -4.111 1.553 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.381 1.740 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.123 2.215 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.317 2.469 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.536 3.850 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.208 2.612 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.657 0.215 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.828 0.264 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.247 -0.063 -4.102 1.00 0.00 H new ATOM 426 N PHE A 47 -2.854 4.848 -2.990 1.00 0.00 N ATOM 427 CA PHE A 47 -2.608 6.224 -2.557 1.00 0.00 C ATOM 428 C PHE A 47 -3.038 6.383 -1.114 1.00 0.00 C ATOM 429 O PHE A 47 -2.200 6.543 -0.227 1.00 0.00 O ATOM 430 CB PHE A 47 -3.350 7.210 -3.452 1.00 0.00 C ATOM 431 CG PHE A 47 -3.149 8.648 -3.066 1.00 0.00 C ATOM 432 CD1 PHE A 47 -3.985 9.255 -2.142 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.124 9.392 -3.627 1.00 0.00 C ATOM 434 CE1 PHE A 47 -3.802 10.577 -1.786 1.00 0.00 C ATOM 435 CE2 PHE A 47 -1.936 10.715 -3.275 1.00 0.00 C ATOM 436 CZ PHE A 47 -2.776 11.308 -2.352 1.00 0.00 C ATOM 0 H PHE A 47 -3.556 4.752 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.542 6.438 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.021 7.070 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.415 6.981 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.788 8.688 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.464 8.933 -4.348 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.461 11.039 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.134 11.285 -3.721 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.630 12.341 -2.074 1.00 0.00 H new ATOM 446 N HIS A 48 -4.341 6.345 -0.867 1.00 0.00 N ATOM 447 CA HIS A 48 -4.829 6.428 0.498 1.00 0.00 C ATOM 448 C HIS A 48 -4.182 5.305 1.283 1.00 0.00 C ATOM 449 O HIS A 48 -3.795 5.464 2.439 1.00 0.00 O ATOM 450 CB HIS A 48 -6.337 6.291 0.549 1.00 0.00 C ATOM 451 CG HIS A 48 -7.065 7.346 -0.224 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.791 8.353 0.377 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.181 7.548 -1.558 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.321 9.128 -0.553 1.00 0.00 C ATOM 455 NE2 HIS A 48 -7.964 8.660 -1.736 1.00 0.00 N ATOM 0 H HIS A 48 -5.065 6.259 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.575 7.399 0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.617 5.311 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.661 6.327 1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.739 6.945 -2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.940 9.995 -0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.228 9.061 -2.636 1.00 0.00 H new ATOM 464 N MET A 49 -4.084 4.151 0.628 1.00 0.00 N ATOM 465 CA MET A 49 -3.424 2.998 1.203 1.00 0.00 C ATOM 466 C MET A 49 -2.089 3.456 1.762 1.00 0.00 C ATOM 467 O MET A 49 -1.715 3.139 2.891 1.00 0.00 O ATOM 468 CB MET A 49 -3.193 1.936 0.133 1.00 0.00 C ATOM 469 CG MET A 49 -2.803 0.578 0.692 1.00 0.00 C ATOM 470 SD MET A 49 -1.109 0.544 1.303 1.00 0.00 S ATOM 471 CE MET A 49 -0.222 1.141 -0.136 1.00 0.00 C ATOM 0 H MET A 49 -4.459 3.996 -0.308 1.00 0.00 H new ATOM 0 HA MET A 49 -4.043 2.566 1.989 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.101 1.827 -0.460 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.410 2.279 -0.543 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.483 0.313 1.502 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.921 -0.178 -0.084 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.830 0.868 -0.054 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.644 0.693 -1.035 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.312 2.226 -0.194 1.00 0.00 H new ATOM 481 N LYS A 50 -1.381 4.217 0.933 1.00 0.00 N ATOM 482 CA LYS A 50 -0.096 4.784 1.306 1.00 0.00 C ATOM 483 C LYS A 50 -0.316 5.835 2.382 1.00 0.00 C ATOM 484 O LYS A 50 0.515 6.017 3.272 1.00 0.00 O ATOM 485 CB LYS A 50 0.591 5.411 0.091 1.00 0.00 C ATOM 486 CG LYS A 50 1.343 4.410 -0.771 1.00 0.00 C ATOM 487 CD LYS A 50 1.877 5.054 -2.043 1.00 0.00 C ATOM 488 CE LYS A 50 0.781 5.771 -2.817 1.00 0.00 C ATOM 489 NZ LYS A 50 1.269 6.301 -4.121 1.00 0.00 N ATOM 0 H LYS A 50 -1.683 4.455 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 50 0.549 3.993 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.159 5.912 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.287 6.177 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.171 3.988 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.681 3.584 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.665 5.763 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.328 4.290 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.047 5.084 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.391 6.592 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.939 7.279 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.309 6.282 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.901 5.712 -4.895 1.00 0.00 H new ATOM 503 N ARG A 51 -1.453 6.528 2.290 1.00 0.00 N ATOM 504 CA ARG A 51 -1.805 7.545 3.265 1.00 0.00 C ATOM 505 C ARG A 51 -1.788 6.933 4.664 1.00 0.00 C ATOM 506 O ARG A 51 -1.200 7.469 5.607 1.00 0.00 O ATOM 507 CB ARG A 51 -3.188 8.135 2.966 1.00 0.00 C ATOM 508 CG ARG A 51 -3.530 9.342 3.823 1.00 0.00 C ATOM 509 CD ARG A 51 -4.926 9.861 3.521 1.00 0.00 C ATOM 510 NE ARG A 51 -5.285 10.994 4.369 1.00 0.00 N ATOM 511 CZ ARG A 51 -6.507 11.521 4.426 1.00 0.00 C ATOM 512 NH1 ARG A 51 -7.488 11.018 3.687 1.00 0.00 N ATOM 513 NH2 ARG A 51 -6.748 12.551 5.225 1.00 0.00 N ATOM 0 H ARG A 51 -2.141 6.399 1.548 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.074 8.352 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.233 8.421 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.944 7.365 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.461 9.073 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.801 10.133 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.983 10.160 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.650 9.058 3.663 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.557 11.406 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.308 10.224 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.422 11.425 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.998 12.940 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.684 12.955 5.269 1.00 0.00 H new ATOM 527 N ARG A 52 -2.428 5.778 4.775 1.00 0.00 N ATOM 528 CA ARG A 52 -2.490 5.053 6.030 1.00 0.00 C ATOM 529 C ARG A 52 -1.227 4.218 6.204 1.00 0.00 C ATOM 530 O ARG A 52 -0.891 3.804 7.311 1.00 0.00 O ATOM 531 CB ARG A 52 -3.735 4.167 6.079 1.00 0.00 C ATOM 532 CG ARG A 52 -5.036 4.952 6.089 1.00 0.00 C ATOM 533 CD ARG A 52 -6.244 4.033 6.149 1.00 0.00 C ATOM 534 NE ARG A 52 -7.499 4.779 6.182 1.00 0.00 N ATOM 535 CZ ARG A 52 -8.679 4.233 6.469 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.769 2.938 6.748 1.00 0.00 N ATOM 537 NH2 ARG A 52 -9.771 4.984 6.478 1.00 0.00 N ATOM 0 H ARG A 52 -2.914 5.322 4.003 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.555 5.769 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.730 3.498 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.691 3.540 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.048 5.626 6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.094 5.572 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.239 3.371 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.175 3.401 7.034 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.470 5.777 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.931 2.356 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.676 2.525 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.707 5.979 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.675 4.566 6.698 1.00 0.00 H new ATOM 551 N LEU A 53 -0.536 3.966 5.090 1.00 0.00 N ATOM 552 CA LEU A 53 0.710 3.216 5.116 1.00 0.00 C ATOM 553 C LEU A 53 1.706 3.951 5.995 1.00 0.00 C ATOM 554 O LEU A 53 2.498 3.339 6.714 1.00 0.00 O ATOM 555 CB LEU A 53 1.259 3.055 3.700 1.00 0.00 C ATOM 556 CG LEU A 53 2.432 2.089 3.552 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.090 0.740 4.160 1.00 0.00 C ATOM 558 CD2 LEU A 53 2.812 1.941 2.086 1.00 0.00 C ATOM 0 H LEU A 53 -0.823 4.273 4.161 1.00 0.00 H new ATOM 0 HA LEU A 53 0.533 2.221 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.450 2.717 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.570 4.034 3.337 1.00 0.00 H new ATOM 0 HG LEU A 53 3.289 2.496 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.937 0.064 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.866 0.865 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.221 0.322 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.650 1.249 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.960 1.554 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.099 2.913 1.685 1.00 0.00 H new ATOM 570 N HIS A 54 1.656 5.278 5.926 1.00 0.00 N ATOM 571 CA HIS A 54 2.516 6.117 6.732 1.00 0.00 C ATOM 572 C HIS A 54 1.904 6.287 8.114 1.00 0.00 C ATOM 573 O HIS A 54 2.603 6.236 9.126 1.00 0.00 O ATOM 574 CB HIS A 54 2.731 7.475 6.054 1.00 0.00 C ATOM 575 CG HIS A 54 1.627 8.473 6.255 1.00 0.00 C ATOM 576 ND1 HIS A 54 1.269 8.970 7.491 1.00 0.00 N ATOM 577 CD2 HIS A 54 0.816 9.083 5.359 1.00 0.00 C ATOM 578 CE1 HIS A 54 0.284 9.839 7.346 1.00 0.00 C ATOM 579 NE2 HIS A 54 -0.008 9.926 6.062 1.00 0.00 N ATOM 0 H HIS A 54 1.022 5.792 5.314 1.00 0.00 H new ATOM 0 HA HIS A 54 3.491 5.641 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.660 7.906 6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.861 7.312 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.817 8.934 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.200 10.385 8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.729 10.523 5.657 1.00 0.00 H new ATOM 588 N ALA A 55 0.590 6.491 8.146 1.00 0.00 N ATOM 589 CA ALA A 55 -0.118 6.646 9.408 1.00 0.00 C ATOM 590 C ALA A 55 0.014 5.387 10.261 1.00 0.00 C ATOM 591 O ALA A 55 -0.045 5.450 11.489 1.00 0.00 O ATOM 592 CB ALA A 55 -1.584 6.966 9.158 1.00 0.00 C ATOM 0 H ALA A 55 -0.001 6.552 7.317 1.00 0.00 H new ATOM 0 HA ALA A 55 0.332 7.476 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.100 7.079 10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.662 7.894 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.042 6.155 8.592 1.00 0.00 H new ATOM 598 N ALA A 56 0.194 4.241 9.602 1.00 0.00 N ATOM 599 CA ALA A 56 0.332 2.971 10.302 1.00 0.00 C ATOM 600 C ALA A 56 1.761 2.742 10.794 1.00 0.00 C ATOM 601 O ALA A 56 2.002 2.670 11.999 1.00 0.00 O ATOM 602 CB ALA A 56 -0.103 1.827 9.399 1.00 0.00 C ATOM 0 H ALA A 56 0.247 4.170 8.586 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.314 3.006 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.004 0.882 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.145 1.966 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.520 1.812 8.505 1.00 0.00 H new ATOM 608 N GLU A 57 2.706 2.627 9.863 1.00 0.00 N ATOM 609 CA GLU A 57 4.100 2.381 10.225 1.00 0.00 C ATOM 610 C GLU A 57 4.884 3.679 10.428 1.00 0.00 C ATOM 611 O GLU A 57 5.714 3.768 11.332 1.00 0.00 O ATOM 612 CB GLU A 57 4.783 1.499 9.174 1.00 0.00 C ATOM 613 CG GLU A 57 5.117 2.211 7.872 1.00 0.00 C ATOM 614 CD GLU A 57 6.550 2.710 7.836 1.00 0.00 C ATOM 615 OE1 GLU A 57 6.866 3.666 8.574 1.00 0.00 O ATOM 616 OE2 GLU A 57 7.356 2.140 7.072 1.00 0.00 O ATOM 0 H GLU A 57 2.534 2.700 8.860 1.00 0.00 H new ATOM 0 HA GLU A 57 4.095 1.855 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.702 1.096 9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.135 0.651 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.951 1.531 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.438 3.053 7.737 1.00 0.00 H new ATOM 623 N GLY A 58 4.624 4.687 9.594 1.00 0.00 N ATOM 624 CA GLY A 58 5.333 5.947 9.728 1.00 0.00 C ATOM 625 C GLY A 58 6.075 6.350 8.465 1.00 0.00 C ATOM 626 O GLY A 58 6.874 7.287 8.484 1.00 0.00 O ATOM 0 H GLY A 58 3.942 4.653 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.623 6.731 9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.043 5.872 10.551 1.00 0.00 H new ATOM 630 N VAL A 59 5.816 5.648 7.365 1.00 0.00 N ATOM 631 CA VAL A 59 6.462 5.956 6.098 1.00 0.00 C ATOM 632 C VAL A 59 5.643 6.983 5.322 1.00 0.00 C ATOM 633 O VAL A 59 4.921 6.645 4.390 1.00 0.00 O ATOM 634 CB VAL A 59 6.649 4.683 5.242 1.00 0.00 C ATOM 635 CG1 VAL A 59 5.310 4.031 4.922 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.413 4.999 3.967 1.00 0.00 C ATOM 0 H VAL A 59 5.164 4.864 7.328 1.00 0.00 H new ATOM 0 HA VAL A 59 7.446 6.371 6.318 1.00 0.00 H new ATOM 0 HB VAL A 59 7.235 3.972 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.475 3.138 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.809 3.755 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.687 4.733 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.533 4.089 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.860 5.736 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.395 5.399 4.221 1.00 0.00 H new ATOM 646 N GLU A 60 5.746 8.240 5.736 1.00 0.00 N ATOM 647 CA GLU A 60 5.014 9.324 5.091 1.00 0.00 C ATOM 648 C GLU A 60 5.828 10.049 4.007 1.00 0.00 C ATOM 649 O GLU A 60 5.250 10.546 3.042 1.00 0.00 O ATOM 650 CB GLU A 60 4.532 10.333 6.137 1.00 0.00 C ATOM 651 CG GLU A 60 5.654 10.974 6.936 1.00 0.00 C ATOM 652 CD GLU A 60 5.146 11.962 7.966 1.00 0.00 C ATOM 653 OE1 GLU A 60 4.878 11.542 9.111 1.00 0.00 O ATOM 654 OE2 GLU A 60 5.015 13.158 7.629 1.00 0.00 O ATOM 0 H GLU A 60 6.331 8.535 6.518 1.00 0.00 H new ATOM 0 HA GLU A 60 4.162 8.863 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.962 11.116 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.850 9.832 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.228 10.195 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.335 11.484 6.254 1.00 0.00 H new ATOM 661 N PRO A 61 7.171 10.135 4.132 1.00 0.00 N ATOM 662 CA PRO A 61 7.995 10.828 3.136 1.00 0.00 C ATOM 663 C PRO A 61 8.189 10.005 1.865 1.00 0.00 C ATOM 664 O PRO A 61 7.402 9.103 1.575 1.00 0.00 O ATOM 665 CB PRO A 61 9.324 11.028 3.865 1.00 0.00 C ATOM 666 CG PRO A 61 9.407 9.891 4.821 1.00 0.00 C ATOM 667 CD PRO A 61 7.992 9.570 5.226 1.00 0.00 C ATOM 0 HA PRO A 61 7.537 11.757 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.162 11.021 3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.350 11.985 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.883 9.027 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.008 10.158 5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.839 8.495 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.740 10.019 6.187 1.00 0.00 H new ATOM 675 N GLY A 62 9.238 10.317 1.107 1.00 0.00 N ATOM 676 CA GLY A 62 9.513 9.588 -0.121 1.00 0.00 C ATOM 677 C GLY A 62 9.796 8.111 0.111 1.00 0.00 C ATOM 678 O GLY A 62 10.042 7.367 -0.839 1.00 0.00 O ATOM 0 H GLY A 62 9.902 11.061 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.661 9.687 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.369 10.041 -0.622 1.00 0.00 H new ATOM 682 N SER A 63 9.756 7.681 1.370 1.00 0.00 N ATOM 683 CA SER A 63 10.007 6.288 1.718 1.00 0.00 C ATOM 684 C SER A 63 8.842 5.376 1.325 1.00 0.00 C ATOM 685 O SER A 63 8.848 4.189 1.644 1.00 0.00 O ATOM 686 CB SER A 63 10.272 6.172 3.218 1.00 0.00 C ATOM 687 OG SER A 63 11.496 6.793 3.570 1.00 0.00 O ATOM 0 H SER A 63 9.551 8.282 2.168 1.00 0.00 H new ATOM 0 HA SER A 63 10.883 5.961 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.454 6.634 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.298 5.121 3.505 1.00 0.00 H new ATOM 0 HG SER A 63 12.223 6.139 3.513 1.00 0.00 H new ATOM 693 N GLN A 64 7.842 5.926 0.641 1.00 0.00 N ATOM 694 CA GLN A 64 6.694 5.134 0.215 1.00 0.00 C ATOM 695 C GLN A 64 6.843 4.682 -1.233 1.00 0.00 C ATOM 696 O GLN A 64 6.215 5.240 -2.130 1.00 0.00 O ATOM 697 CB GLN A 64 5.398 5.933 0.372 1.00 0.00 C ATOM 698 CG GLN A 64 4.971 6.128 1.814 1.00 0.00 C ATOM 699 CD GLN A 64 3.848 7.136 1.958 1.00 0.00 C ATOM 700 OE1 GLN A 64 2.672 6.776 1.963 1.00 0.00 O ATOM 701 NE2 GLN A 64 4.206 8.409 2.071 1.00 0.00 N ATOM 0 H GLN A 64 7.804 6.909 0.372 1.00 0.00 H new ATOM 0 HA GLN A 64 6.650 4.251 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.525 6.910 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.600 5.423 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.651 5.171 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.828 6.458 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.194 8.664 2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.493 9.133 2.167 1.00 0.00 H new ATOM 710 N ARG A 65 7.686 3.681 -1.463 1.00 0.00 N ATOM 711 CA ARG A 65 7.879 3.154 -2.808 1.00 0.00 C ATOM 712 C ARG A 65 6.924 1.991 -3.048 1.00 0.00 C ATOM 713 O ARG A 65 7.238 0.845 -2.737 1.00 0.00 O ATOM 714 CB ARG A 65 9.326 2.709 -3.010 1.00 0.00 C ATOM 715 CG ARG A 65 10.323 3.857 -2.965 1.00 0.00 C ATOM 716 CD ARG A 65 11.677 3.452 -3.527 1.00 0.00 C ATOM 717 NE ARG A 65 12.619 4.569 -3.542 1.00 0.00 N ATOM 718 CZ ARG A 65 13.880 4.470 -3.958 1.00 0.00 C ATOM 719 NH1 ARG A 65 14.351 3.309 -4.396 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.670 5.534 -3.938 1.00 0.00 N ATOM 0 H ARG A 65 8.242 3.222 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 65 7.665 3.943 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.585 1.982 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.411 2.201 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.931 4.701 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.443 4.194 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.089 2.638 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.550 3.071 -4.540 1.00 0.00 H new ATOM 0 HE ARG A 65 12.291 5.478 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.746 2.488 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.318 3.238 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.312 6.429 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.636 5.458 -4.257 1.00 0.00 H new ATOM 734 N TRP A 66 5.757 2.313 -3.600 1.00 0.00 N ATOM 735 CA TRP A 66 4.703 1.332 -3.875 1.00 0.00 C ATOM 736 C TRP A 66 5.010 0.472 -5.105 1.00 0.00 C ATOM 737 O TRP A 66 5.219 0.987 -6.205 1.00 0.00 O ATOM 738 CB TRP A 66 3.385 2.073 -4.088 1.00 0.00 C ATOM 739 CG TRP A 66 3.482 3.123 -5.154 1.00 0.00 C ATOM 740 CD1 TRP A 66 3.262 2.949 -6.484 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.840 4.501 -4.983 1.00 0.00 C ATOM 742 NE1 TRP A 66 3.454 4.133 -7.155 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.810 5.100 -6.256 1.00 0.00 C ATOM 744 CE3 TRP A 66 4.181 5.286 -3.880 1.00 0.00 C ATOM 745 CZ2 TRP A 66 4.108 6.446 -6.454 1.00 0.00 C ATOM 746 CZ3 TRP A 66 4.476 6.622 -4.076 1.00 0.00 C ATOM 747 CH2 TRP A 66 4.438 7.190 -5.355 1.00 0.00 C ATOM 0 H TRP A 66 5.512 3.265 -3.871 1.00 0.00 H new ATOM 0 HA TRP A 66 4.639 0.660 -3.019 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.609 1.357 -4.358 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.078 2.538 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.977 2.015 -6.947 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.348 4.268 -8.160 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.214 4.856 -2.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 4.080 6.886 -7.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.740 7.238 -3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 66 4.674 8.237 -5.476 1.00 0.00 H new ATOM 758 N PHE A 67 4.986 -0.847 -4.920 1.00 0.00 N ATOM 759 CA PHE A 67 5.271 -1.776 -6.008 1.00 0.00 C ATOM 760 C PHE A 67 4.575 -3.117 -5.791 1.00 0.00 C ATOM 761 O PHE A 67 4.650 -3.699 -4.712 1.00 0.00 O ATOM 762 CB PHE A 67 6.779 -1.999 -6.136 1.00 0.00 C ATOM 763 CG PHE A 67 7.517 -0.823 -6.711 1.00 0.00 C ATOM 764 CD1 PHE A 67 7.864 0.255 -5.914 1.00 0.00 C ATOM 765 CD2 PHE A 67 7.862 -0.799 -8.053 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.543 1.336 -6.445 1.00 0.00 C ATOM 767 CE2 PHE A 67 8.539 0.280 -8.589 1.00 0.00 C ATOM 768 CZ PHE A 67 8.880 1.348 -7.784 1.00 0.00 C ATOM 0 H PHE A 67 4.772 -1.294 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 67 4.889 -1.333 -6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.188 -2.228 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.956 -2.871 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.601 0.251 -4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.599 -1.633 -8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.810 2.170 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.801 0.288 -9.637 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.410 2.192 -8.201 1.00 0.00 H new ATOM 778 N PHE A 68 3.905 -3.600 -6.830 1.00 0.00 N ATOM 779 CA PHE A 68 3.203 -4.877 -6.772 1.00 0.00 C ATOM 780 C PHE A 68 3.919 -5.915 -7.627 1.00 0.00 C ATOM 781 O PHE A 68 3.981 -5.787 -8.851 1.00 0.00 O ATOM 782 CB PHE A 68 1.760 -4.712 -7.254 1.00 0.00 C ATOM 783 CG PHE A 68 0.984 -5.998 -7.296 1.00 0.00 C ATOM 784 CD1 PHE A 68 0.372 -6.493 -6.156 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.865 -6.711 -8.479 1.00 0.00 C ATOM 786 CE1 PHE A 68 -0.344 -7.674 -6.194 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.151 -7.892 -8.522 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.454 -8.375 -7.380 1.00 0.00 C ATOM 0 H PHE A 68 3.833 -3.123 -7.729 1.00 0.00 H new ATOM 0 HA PHE A 68 3.194 -5.218 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.246 -4.009 -6.598 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.768 -4.270 -8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.456 -5.949 -5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.336 -6.339 -9.377 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.817 -8.049 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.066 -8.438 -9.450 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.012 -9.299 -7.413 1.00 0.00 H new ATOM 798 N SER A 69 4.460 -6.940 -6.979 1.00 0.00 N ATOM 799 CA SER A 69 5.180 -7.995 -7.684 1.00 0.00 C ATOM 800 C SER A 69 6.442 -7.449 -8.352 1.00 0.00 C ATOM 801 O SER A 69 7.066 -8.128 -9.168 1.00 0.00 O ATOM 802 CB SER A 69 4.277 -8.652 -8.731 1.00 0.00 C ATOM 803 OG SER A 69 3.114 -9.196 -8.132 1.00 0.00 O ATOM 0 H SER A 69 4.414 -7.063 -5.968 1.00 0.00 H new ATOM 0 HA SER A 69 5.477 -8.744 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.992 -7.916 -9.483 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.826 -9.439 -9.247 1.00 0.00 H new ATOM 0 HG SER A 69 2.356 -8.593 -8.282 1.00 0.00 H new ATOM 809 N GLY A 70 6.815 -6.218 -8.003 1.00 0.00 N ATOM 810 CA GLY A 70 8.001 -5.610 -8.577 1.00 0.00 C ATOM 811 C GLY A 70 7.683 -4.420 -9.462 1.00 0.00 C ATOM 812 O GLY A 70 8.548 -3.583 -9.718 1.00 0.00 O ATOM 0 H GLY A 70 6.316 -5.633 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.666 -5.292 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.540 -6.357 -9.160 1.00 0.00 H new ATOM 816 N ARG A 71 6.443 -4.343 -9.930 1.00 0.00 N ATOM 817 CA ARG A 71 6.020 -3.244 -10.786 1.00 0.00 C ATOM 818 C ARG A 71 5.497 -2.086 -9.941 1.00 0.00 C ATOM 819 O ARG A 71 4.905 -2.302 -8.887 1.00 0.00 O ATOM 820 CB ARG A 71 4.936 -3.717 -11.756 1.00 0.00 C ATOM 821 CG ARG A 71 5.351 -4.912 -12.598 1.00 0.00 C ATOM 822 CD ARG A 71 6.565 -4.597 -13.457 1.00 0.00 C ATOM 823 NE ARG A 71 6.308 -3.502 -14.389 1.00 0.00 N ATOM 824 CZ ARG A 71 7.112 -3.188 -15.402 1.00 0.00 C ATOM 825 NH1 ARG A 71 8.220 -3.885 -15.621 1.00 0.00 N ATOM 826 NH2 ARG A 71 6.806 -2.175 -16.201 1.00 0.00 N ATOM 0 H ARG A 71 5.714 -5.028 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 71 6.880 -2.899 -11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.041 -3.976 -11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.668 -2.893 -12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.575 -5.757 -11.946 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.521 -5.214 -13.237 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.406 -4.336 -12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.855 -5.487 -14.015 1.00 0.00 H new ATOM 0 HE ARG A 71 5.463 -2.946 -14.256 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.460 -4.667 -15.011 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.832 -3.639 -16.399 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.955 -1.637 -16.039 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.422 -1.934 -16.978 1.00 0.00 H new ATOM 840 N PRO A 72 5.706 -0.840 -10.395 1.00 0.00 N ATOM 841 CA PRO A 72 5.247 0.346 -9.665 1.00 0.00 C ATOM 842 C PRO A 72 3.730 0.471 -9.682 1.00 0.00 C ATOM 843 O PRO A 72 3.127 0.669 -10.736 1.00 0.00 O ATOM 844 CB PRO A 72 5.891 1.506 -10.428 1.00 0.00 C ATOM 845 CG PRO A 72 6.111 0.979 -11.804 1.00 0.00 C ATOM 846 CD PRO A 72 6.401 -0.487 -11.646 1.00 0.00 C ATOM 0 HA PRO A 72 5.522 0.313 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.242 2.382 -10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.830 1.811 -9.966 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.231 1.137 -12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.942 1.491 -12.289 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.025 -1.064 -12.491 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.472 -0.680 -11.579 1.00 0.00 H new ATOM 854 N LEU A 73 3.114 0.355 -8.508 1.00 0.00 N ATOM 855 CA LEU A 73 1.658 0.445 -8.405 1.00 0.00 C ATOM 856 C LEU A 73 1.166 1.870 -8.654 1.00 0.00 C ATOM 857 O LEU A 73 1.950 2.814 -8.703 1.00 0.00 O ATOM 858 CB LEU A 73 1.194 -0.028 -7.025 1.00 0.00 C ATOM 859 CG LEU A 73 1.040 -1.545 -6.864 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.267 -1.861 -5.594 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.331 -2.146 -8.069 1.00 0.00 C ATOM 0 H LEU A 73 3.594 0.200 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 73 1.232 -0.201 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.905 0.328 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.236 0.442 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 73 2.035 -1.985 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.164 -2.941 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.804 -1.463 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.722 -1.405 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.233 -3.223 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.659 -1.701 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.911 -1.945 -8.970 1.00 0.00 H new ATOM 872 N THR A 74 -0.148 2.015 -8.787 1.00 0.00 N ATOM 873 CA THR A 74 -0.757 3.321 -9.016 1.00 0.00 C ATOM 874 C THR A 74 -1.627 3.736 -7.833 1.00 0.00 C ATOM 875 O THR A 74 -1.796 2.986 -6.877 1.00 0.00 O ATOM 876 CB THR A 74 -1.615 3.332 -10.294 1.00 0.00 C ATOM 877 OG1 THR A 74 -2.835 2.620 -10.071 1.00 0.00 O ATOM 878 CG2 THR A 74 -0.861 2.702 -11.457 1.00 0.00 C ATOM 0 H THR A 74 -0.813 1.243 -8.740 1.00 0.00 H new ATOM 0 HA THR A 74 0.062 4.031 -9.134 1.00 0.00 H new ATOM 0 HB THR A 74 -1.840 4.369 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.584 3.252 -10.054 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.487 2.721 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.054 3.263 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.610 1.670 -11.212 1.00 0.00 H new ATOM 886 N ASP A 75 -2.178 4.940 -7.921 1.00 0.00 N ATOM 887 CA ASP A 75 -3.031 5.503 -6.878 1.00 0.00 C ATOM 888 C ASP A 75 -4.499 5.160 -7.110 1.00 0.00 C ATOM 889 O ASP A 75 -5.389 5.913 -6.716 1.00 0.00 O ATOM 890 CB ASP A 75 -2.862 7.023 -6.837 1.00 0.00 C ATOM 891 CG ASP A 75 -3.018 7.660 -8.204 1.00 0.00 C ATOM 892 OD1 ASP A 75 -2.001 7.793 -8.918 1.00 0.00 O ATOM 893 OD2 ASP A 75 -4.157 8.025 -8.562 1.00 0.00 O ATOM 0 H ASP A 75 -2.046 5.558 -8.722 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.727 5.068 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.598 7.449 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.878 7.266 -6.437 1.00 0.00 H new ATOM 898 N LYS A 76 -4.744 4.030 -7.756 1.00 0.00 N ATOM 899 CA LYS A 76 -6.101 3.591 -8.045 1.00 0.00 C ATOM 900 C LYS A 76 -6.135 2.085 -8.245 1.00 0.00 C ATOM 901 O LYS A 76 -6.902 1.570 -9.058 1.00 0.00 O ATOM 902 CB LYS A 76 -6.626 4.299 -9.295 1.00 0.00 C ATOM 903 CG LYS A 76 -6.831 5.793 -9.108 1.00 0.00 C ATOM 904 CD LYS A 76 -7.393 6.442 -10.362 1.00 0.00 C ATOM 905 CE LYS A 76 -7.586 7.938 -10.177 1.00 0.00 C ATOM 906 NZ LYS A 76 -8.511 8.245 -9.051 1.00 0.00 N ATOM 0 H LYS A 76 -4.017 3.398 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.740 3.846 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.926 4.137 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.572 3.845 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.510 5.966 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.881 6.262 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.719 6.262 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.347 5.980 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.620 8.408 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.979 8.370 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.803 9.242 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.351 7.635 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.026 8.073 -8.147 1.00 0.00 H new ATOM 920 N MET A 77 -5.294 1.384 -7.494 1.00 0.00 N ATOM 921 CA MET A 77 -5.204 -0.066 -7.600 1.00 0.00 C ATOM 922 C MET A 77 -6.271 -0.802 -6.791 1.00 0.00 C ATOM 923 O MET A 77 -6.775 -1.833 -7.238 1.00 0.00 O ATOM 924 CB MET A 77 -3.819 -0.542 -7.157 1.00 0.00 C ATOM 925 CG MET A 77 -2.667 0.096 -7.919 1.00 0.00 C ATOM 926 SD MET A 77 -2.538 -0.479 -9.628 1.00 0.00 S ATOM 927 CE MET A 77 -3.999 0.244 -10.371 1.00 0.00 C ATOM 0 H MET A 77 -4.665 1.797 -6.805 1.00 0.00 H new ATOM 0 HA MET A 77 -5.375 -0.305 -8.650 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.698 -0.332 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.764 -1.624 -7.276 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.793 1.179 -7.915 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.733 -0.118 -7.399 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.753 0.625 -11.362 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.777 -0.515 -10.456 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.357 1.063 -9.747 1.00 0.00 H new ATOM 937 N LYS A 78 -6.682 -0.260 -5.647 1.00 0.00 N ATOM 938 CA LYS A 78 -7.651 -0.973 -4.819 1.00 0.00 C ATOM 939 C LYS A 78 -8.922 -1.271 -5.594 1.00 0.00 C ATOM 940 O LYS A 78 -9.213 -2.431 -5.896 1.00 0.00 O ATOM 941 CB LYS A 78 -7.997 -0.208 -3.543 1.00 0.00 C ATOM 942 CG LYS A 78 -7.011 -0.449 -2.405 1.00 0.00 C ATOM 943 CD LYS A 78 -6.734 -1.931 -2.207 1.00 0.00 C ATOM 944 CE LYS A 78 -5.435 -2.345 -2.877 1.00 0.00 C ATOM 945 NZ LYS A 78 -5.275 -3.822 -2.904 1.00 0.00 N ATOM 0 H LYS A 78 -6.372 0.640 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.177 -1.912 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.030 0.859 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.996 -0.496 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.077 0.071 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.409 -0.027 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.683 -2.154 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.559 -2.515 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.412 -1.958 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.594 -1.898 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.288 -4.068 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.902 -4.252 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.522 -4.181 -3.848 1.00 0.00 H new ATOM 959 N PHE A 79 -9.674 -0.237 -5.920 1.00 0.00 N ATOM 960 CA PHE A 79 -10.907 -0.416 -6.667 1.00 0.00 C ATOM 961 C PHE A 79 -10.642 -0.946 -8.080 1.00 0.00 C ATOM 962 O PHE A 79 -11.576 -1.350 -8.771 1.00 0.00 O ATOM 963 CB PHE A 79 -11.672 0.905 -6.765 1.00 0.00 C ATOM 964 CG PHE A 79 -13.003 0.778 -7.451 1.00 0.00 C ATOM 965 CD1 PHE A 79 -14.045 0.090 -6.849 1.00 0.00 C ATOM 966 CD2 PHE A 79 -13.213 1.349 -8.696 1.00 0.00 C ATOM 967 CE1 PHE A 79 -15.270 -0.027 -7.477 1.00 0.00 C ATOM 968 CE2 PHE A 79 -14.436 1.234 -9.329 1.00 0.00 C ATOM 969 CZ PHE A 79 -15.467 0.546 -8.718 1.00 0.00 C ATOM 0 H PHE A 79 -9.456 0.730 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.504 -1.150 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.826 1.302 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.062 1.630 -7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.898 -0.360 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.412 1.890 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -16.073 -0.566 -6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.586 1.681 -10.300 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.424 0.457 -9.210 1.00 0.00 H new ATOM 979 N GLU A 80 -9.381 -0.932 -8.518 1.00 0.00 N ATOM 980 CA GLU A 80 -9.049 -1.395 -9.865 1.00 0.00 C ATOM 981 C GLU A 80 -8.696 -2.878 -9.892 1.00 0.00 C ATOM 982 O GLU A 80 -8.896 -3.553 -10.903 1.00 0.00 O ATOM 983 CB GLU A 80 -7.894 -0.575 -10.444 1.00 0.00 C ATOM 984 CG GLU A 80 -7.517 -0.975 -11.861 1.00 0.00 C ATOM 985 CD GLU A 80 -6.403 -0.122 -12.434 1.00 0.00 C ATOM 986 OE1 GLU A 80 -6.648 1.073 -12.703 1.00 0.00 O ATOM 987 OE2 GLU A 80 -5.286 -0.649 -12.619 1.00 0.00 O ATOM 0 H GLU A 80 -8.584 -0.610 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.938 -1.254 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.167 0.480 -10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.022 -0.685 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.209 -2.021 -11.869 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.395 -0.897 -12.502 1.00 0.00 H new ATOM 994 N GLU A 81 -8.170 -3.383 -8.784 1.00 0.00 N ATOM 995 CA GLU A 81 -7.764 -4.774 -8.702 1.00 0.00 C ATOM 996 C GLU A 81 -8.904 -5.618 -8.175 1.00 0.00 C ATOM 997 O GLU A 81 -9.400 -6.518 -8.853 1.00 0.00 O ATOM 998 CB GLU A 81 -6.536 -4.921 -7.803 1.00 0.00 C ATOM 999 CG GLU A 81 -5.833 -6.262 -7.946 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.285 -6.484 -9.342 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -4.122 -6.103 -9.592 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -6.019 -7.040 -10.186 1.00 0.00 O ATOM 0 H GLU A 81 -8.016 -2.847 -7.930 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.503 -5.120 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.830 -4.124 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.839 -4.788 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.017 -6.320 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.531 -7.063 -7.702 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.322 -5.305 -6.955 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.400 -6.026 -6.306 1.00 0.00 C ATOM 1011 C LEU A 82 -10.002 -7.477 -6.040 1.00 0.00 C ATOM 1012 O LEU A 82 -10.824 -8.281 -5.601 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.664 -5.989 -7.165 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.147 -4.604 -7.601 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.149 -3.639 -6.426 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.292 -4.072 -8.736 1.00 0.00 C ATOM 0 H LEU A 82 -8.925 -4.551 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.602 -5.537 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.488 -6.587 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.468 -6.473 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 82 -13.171 -4.698 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.496 -2.661 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.814 -4.014 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.139 -3.549 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.652 -3.086 -9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.256 -3.996 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.353 -4.751 -9.587 1.00 0.00 H new ATOM 1028 N LYS A 83 -8.734 -7.806 -6.296 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.240 -9.161 -6.096 1.00 0.00 C ATOM 1030 C LYS A 83 -7.379 -9.257 -4.836 1.00 0.00 C ATOM 1031 O LYS A 83 -6.905 -10.336 -4.485 1.00 0.00 O ATOM 1032 CB LYS A 83 -7.414 -9.614 -7.303 1.00 0.00 C ATOM 1033 CG LYS A 83 -8.118 -9.470 -8.644 1.00 0.00 C ATOM 1034 CD LYS A 83 -9.225 -10.496 -8.812 1.00 0.00 C ATOM 1035 CE LYS A 83 -10.541 -9.977 -8.270 1.00 0.00 C ATOM 1036 NZ LYS A 83 -11.540 -11.067 -8.090 1.00 0.00 N ATOM 0 H LYS A 83 -8.034 -7.149 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.107 -9.811 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.489 -9.038 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.136 -10.659 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.536 -8.467 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.392 -9.583 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.336 -10.745 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.953 -11.416 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.369 -9.482 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.942 -9.226 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.425 -10.668 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.724 -11.524 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.169 -11.771 -7.421 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.175 -8.127 -4.166 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.368 -8.086 -2.957 1.00 0.00 C ATOM 1052 C ILE A 84 -7.236 -7.944 -1.706 1.00 0.00 C ATOM 1053 O ILE A 84 -7.260 -6.885 -1.077 1.00 0.00 O ATOM 1054 CB ILE A 84 -5.373 -6.910 -3.012 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -4.604 -6.925 -4.339 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -4.420 -6.955 -1.825 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -3.535 -5.857 -4.440 1.00 0.00 C ATOM 0 H ILE A 84 -7.561 -7.225 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.824 -9.029 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.933 -5.977 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.140 -7.903 -4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.311 -6.797 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.726 -6.116 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.990 -6.891 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.861 -7.890 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.036 -5.932 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.994 -4.873 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.805 -5.996 -3.643 1.00 0.00 H new ATOM 1069 N PRO A 85 -7.972 -9.007 -1.327 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.827 -8.987 -0.138 1.00 0.00 C ATOM 1071 C PRO A 85 -8.020 -9.110 1.149 1.00 0.00 C ATOM 1072 O PRO A 85 -8.440 -8.640 2.206 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.712 -10.219 -0.328 1.00 0.00 C ATOM 1074 CG PRO A 85 -8.862 -11.161 -1.105 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.039 -10.305 -2.029 1.00 0.00 C ATOM 0 HA PRO A 85 -9.381 -8.053 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.009 -10.647 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.628 -9.973 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.224 -11.748 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.474 -11.867 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.047 -10.726 -2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.506 -10.208 -3.009 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.856 -9.748 1.048 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.976 -9.943 2.198 1.00 0.00 C ATOM 1085 C LYS A 86 -4.766 -10.795 1.820 1.00 0.00 C ATOM 1086 O LYS A 86 -3.692 -10.654 2.404 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.740 -10.598 3.354 1.00 0.00 C ATOM 1088 CG LYS A 86 -7.456 -11.884 2.970 1.00 0.00 C ATOM 1089 CD LYS A 86 -6.565 -13.102 3.161 1.00 0.00 C ATOM 1090 CE LYS A 86 -7.272 -14.379 2.736 1.00 0.00 C ATOM 1091 NZ LYS A 86 -6.406 -15.578 2.909 1.00 0.00 N ATOM 0 H LYS A 86 -6.499 -10.141 0.177 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.621 -8.964 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.042 -10.810 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.471 -9.888 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.357 -11.994 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.775 -11.826 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.651 -12.980 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.270 -13.179 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.183 -14.502 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.573 -14.297 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.925 -16.427 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.548 -15.473 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.139 -15.672 3.910 1.00 0.00 H new ATOM 1105 N ASP A 87 -4.946 -11.678 0.842 1.00 0.00 N ATOM 1106 CA ASP A 87 -3.868 -12.550 0.391 1.00 0.00 C ATOM 1107 C ASP A 87 -2.786 -11.757 -0.338 1.00 0.00 C ATOM 1108 O ASP A 87 -1.618 -11.784 0.050 1.00 0.00 O ATOM 1109 CB ASP A 87 -4.420 -13.644 -0.526 1.00 0.00 C ATOM 1110 CG ASP A 87 -3.349 -14.617 -0.978 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -3.130 -15.628 -0.276 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -2.728 -14.369 -2.033 1.00 0.00 O ATOM 0 H ASP A 87 -5.828 -11.808 0.347 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.419 -13.012 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.205 -14.190 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.880 -13.183 -1.400 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.179 -11.051 -1.395 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.237 -10.257 -2.175 1.00 0.00 C ATOM 1119 C TYR A 88 -1.523 -9.233 -1.298 1.00 0.00 C ATOM 1120 O TYR A 88 -2.060 -8.773 -0.286 1.00 0.00 O ATOM 1121 CB TYR A 88 -2.950 -9.571 -3.341 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.251 -10.505 -4.492 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.376 -11.319 -4.476 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -2.408 -10.571 -5.595 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.653 -12.174 -5.526 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -2.679 -11.423 -6.649 1.00 0.00 C ATOM 1127 CZ TYR A 88 -3.802 -12.222 -6.610 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.075 -13.071 -7.657 1.00 0.00 O ATOM 0 H TYR A 88 -4.142 -11.013 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.483 -10.931 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.883 -9.136 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.333 -8.748 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.045 -11.283 -3.629 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.527 -9.947 -5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.532 -12.801 -5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.014 -11.463 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.378 -12.982 -8.340 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.309 -8.874 -1.700 1.00 0.00 N ATOM 1139 CA VAL A 89 0.500 -7.930 -0.939 1.00 0.00 C ATOM 1140 C VAL A 89 1.286 -6.989 -1.844 1.00 0.00 C ATOM 1141 O VAL A 89 1.884 -7.414 -2.831 1.00 0.00 O ATOM 1142 CB VAL A 89 1.493 -8.693 -0.036 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.398 -9.581 -0.876 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.322 -7.737 0.812 1.00 0.00 C ATOM 0 H VAL A 89 0.136 -9.223 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.186 -7.335 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 89 0.914 -9.321 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.092 -10.112 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.792 -10.302 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.959 -8.966 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.010 -8.307 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.889 -7.071 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.661 -7.147 1.447 1.00 0.00 H new ATOM 1154 N VAL A 90 1.279 -5.703 -1.497 1.00 0.00 N ATOM 1155 CA VAL A 90 2.025 -4.711 -2.257 1.00 0.00 C ATOM 1156 C VAL A 90 3.392 -4.512 -1.632 1.00 0.00 C ATOM 1157 O VAL A 90 3.510 -4.228 -0.438 1.00 0.00 O ATOM 1158 CB VAL A 90 1.292 -3.356 -2.342 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.057 -2.401 -3.248 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.132 -3.560 -2.833 1.00 0.00 C ATOM 0 H VAL A 90 0.767 -5.328 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 90 2.125 -5.090 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 90 1.245 -2.912 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.530 -1.448 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.057 -2.241 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.132 -2.829 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.639 -2.597 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.114 -4.018 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.666 -4.211 -2.141 1.00 0.00 H new ATOM 1170 N GLN A 91 4.426 -4.672 -2.443 1.00 0.00 N ATOM 1171 CA GLN A 91 5.782 -4.528 -1.964 1.00 0.00 C ATOM 1172 C GLN A 91 6.213 -3.076 -2.015 1.00 0.00 C ATOM 1173 O GLN A 91 6.291 -2.470 -3.085 1.00 0.00 O ATOM 1174 CB GLN A 91 6.742 -5.396 -2.770 1.00 0.00 C ATOM 1175 CG GLN A 91 8.150 -5.395 -2.204 1.00 0.00 C ATOM 1176 CD GLN A 91 9.118 -4.594 -3.053 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.753 -5.131 -3.961 1.00 0.00 O ATOM 1178 NE2 GLN A 91 9.235 -3.304 -2.764 1.00 0.00 N ATOM 0 H GLN A 91 4.347 -4.901 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 91 5.810 -4.863 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.366 -6.419 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.769 -5.041 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.132 -4.984 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.506 -6.422 -2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.689 -2.900 -2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.871 -2.716 -3.303 1.00 0.00 H new ATOM 1187 N VAL A 92 6.485 -2.528 -0.847 1.00 0.00 N ATOM 1188 CA VAL A 92 6.902 -1.145 -0.729 1.00 0.00 C ATOM 1189 C VAL A 92 8.389 -1.053 -0.404 1.00 0.00 C ATOM 1190 O VAL A 92 9.022 -2.055 -0.072 1.00 0.00 O ATOM 1191 CB VAL A 92 6.115 -0.441 0.387 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.613 -0.549 0.175 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.477 -1.026 1.714 1.00 0.00 C ATOM 0 H VAL A 92 6.424 -3.025 0.042 1.00 0.00 H new ATOM 0 HA VAL A 92 6.707 -0.660 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 92 6.383 0.615 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.093 -0.038 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.346 -0.087 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.322 -1.599 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.915 -0.521 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.236 -2.089 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.545 -0.895 1.890 1.00 0.00 H new ATOM 1203 N ILE A 93 8.944 0.149 -0.494 1.00 0.00 N ATOM 1204 CA ILE A 93 10.350 0.355 -0.174 1.00 0.00 C ATOM 1205 C ILE A 93 10.540 1.634 0.632 1.00 0.00 C ATOM 1206 O ILE A 93 10.153 2.723 0.204 1.00 0.00 O ATOM 1207 CB ILE A 93 11.241 0.420 -1.426 1.00 0.00 C ATOM 1208 CG1 ILE A 93 10.743 -0.550 -2.498 1.00 0.00 C ATOM 1209 CG2 ILE A 93 12.685 0.109 -1.059 1.00 0.00 C ATOM 1210 CD1 ILE A 93 11.554 -0.510 -3.774 1.00 0.00 C ATOM 0 H ILE A 93 8.446 0.991 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 93 10.655 -0.510 0.415 1.00 0.00 H new ATOM 0 HB ILE A 93 11.191 1.430 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.762 -1.563 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.703 -0.319 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.306 0.158 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.040 0.837 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.744 -0.891 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.143 -1.223 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.514 0.493 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.590 -0.771 -3.555 1.00 0.00 H new ATOM 1222 N VAL A 94 11.135 1.475 1.804 1.00 0.00 N ATOM 1223 CA VAL A 94 11.408 2.588 2.712 1.00 0.00 C ATOM 1224 C VAL A 94 12.808 2.459 3.306 1.00 0.00 C ATOM 1225 O VAL A 94 13.023 1.706 4.256 1.00 0.00 O ATOM 1226 CB VAL A 94 10.359 2.666 3.856 1.00 0.00 C ATOM 1227 CG1 VAL A 94 9.891 1.274 4.251 1.00 0.00 C ATOM 1228 CG2 VAL A 94 10.920 3.398 5.072 1.00 0.00 C ATOM 0 H VAL A 94 11.445 0.570 2.157 1.00 0.00 H new ATOM 0 HA VAL A 94 11.344 3.507 2.129 1.00 0.00 H new ATOM 0 HB VAL A 94 9.505 3.231 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.157 1.351 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.437 0.785 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.743 0.687 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.163 3.436 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.798 2.869 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.200 4.412 4.789 1.00 0.00 H new ATOM 1238 N SER A 95 13.754 3.199 2.740 1.00 0.00 N ATOM 1239 CA SER A 95 15.132 3.167 3.212 1.00 0.00 C ATOM 1240 C SER A 95 15.727 4.572 3.249 1.00 0.00 C ATOM 1241 O SER A 95 16.738 4.847 2.603 1.00 0.00 O ATOM 1242 CB SER A 95 15.976 2.262 2.312 1.00 0.00 C ATOM 1243 OG SER A 95 15.530 0.919 2.377 1.00 0.00 O ATOM 0 H SER A 95 13.592 3.828 1.954 1.00 0.00 H new ATOM 0 HA SER A 95 15.137 2.766 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.923 2.617 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.022 2.316 2.615 1.00 0.00 H new ATOM 0 HG SER A 95 16.084 0.362 1.792 1.00 0.00 H new ATOM 1249 N GLN A 96 15.090 5.458 4.008 1.00 0.00 N ATOM 1250 CA GLN A 96 15.556 6.835 4.133 1.00 0.00 C ATOM 1251 C GLN A 96 16.571 6.969 5.270 1.00 0.00 C ATOM 1252 O GLN A 96 16.212 6.884 6.443 1.00 0.00 O ATOM 1253 CB GLN A 96 14.371 7.777 4.371 1.00 0.00 C ATOM 1254 CG GLN A 96 13.544 7.432 5.600 1.00 0.00 C ATOM 1255 CD GLN A 96 12.333 8.330 5.758 1.00 0.00 C ATOM 1256 OE1 GLN A 96 12.349 9.492 5.350 1.00 0.00 O ATOM 1257 NE2 GLN A 96 11.272 7.796 6.353 1.00 0.00 N ATOM 0 H GLN A 96 14.249 5.247 4.546 1.00 0.00 H new ATOM 0 HA GLN A 96 16.048 7.112 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 96 14.745 8.796 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.724 7.760 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.216 6.395 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 96 14.170 7.512 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.301 6.829 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.428 8.353 6.487 1.00 0.00 H new ATOM 1266 N PRO A 97 17.859 7.175 4.936 1.00 0.00 N ATOM 1267 CA PRO A 97 18.915 7.323 5.940 1.00 0.00 C ATOM 1268 C PRO A 97 18.878 8.690 6.614 1.00 0.00 C ATOM 1269 O PRO A 97 19.278 8.836 7.769 1.00 0.00 O ATOM 1270 CB PRO A 97 20.197 7.166 5.123 1.00 0.00 C ATOM 1271 CG PRO A 97 19.834 7.648 3.762 1.00 0.00 C ATOM 1272 CD PRO A 97 18.388 7.277 3.560 1.00 0.00 C ATOM 0 HA PRO A 97 18.818 6.601 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.012 7.752 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 97 20.529 6.128 5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.975 8.726 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 97 20.465 7.185 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.857 8.033 2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.287 6.335 3.021 1.00 0.00 H new ATOM 1280 N VAL A 98 18.395 9.688 5.881 1.00 0.00 N ATOM 1281 CA VAL A 98 18.300 11.045 6.402 1.00 0.00 C ATOM 1282 C VAL A 98 17.387 11.899 5.526 1.00 0.00 C ATOM 1283 O VAL A 98 17.642 13.082 5.308 1.00 0.00 O ATOM 1284 CB VAL A 98 19.692 11.706 6.499 1.00 0.00 C ATOM 1285 CG1 VAL A 98 20.301 11.893 5.118 1.00 0.00 C ATOM 1286 CG2 VAL A 98 19.608 13.034 7.240 1.00 0.00 C ATOM 0 H VAL A 98 18.063 9.581 4.923 1.00 0.00 H new ATOM 0 HA VAL A 98 17.875 10.980 7.404 1.00 0.00 H new ATOM 0 HB VAL A 98 20.344 11.042 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 98 21.281 12.360 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 98 20.407 10.923 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 98 19.652 12.530 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 98 20.600 13.482 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 98 18.936 13.706 6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 98 19.228 12.865 8.248 1.00 0.00 H new ATOM 1296 N GLN A 99 16.319 11.284 5.022 1.00 0.00 N ATOM 1297 CA GLN A 99 15.364 11.982 4.169 1.00 0.00 C ATOM 1298 C GLN A 99 16.021 12.428 2.867 1.00 0.00 C ATOM 1299 O GLN A 99 16.760 13.413 2.838 1.00 0.00 O ATOM 1300 CB GLN A 99 14.779 13.193 4.900 1.00 0.00 C ATOM 1301 CG GLN A 99 14.073 12.838 6.198 1.00 0.00 C ATOM 1302 CD GLN A 99 13.509 14.054 6.906 1.00 0.00 C ATOM 1303 OE1 GLN A 99 14.046 15.156 6.796 1.00 0.00 O ATOM 1304 NE2 GLN A 99 12.418 13.859 7.639 1.00 0.00 N ATOM 0 H GLN A 99 16.095 10.303 5.191 1.00 0.00 H new ATOM 0 HA GLN A 99 14.558 11.289 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.581 13.900 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.075 13.700 4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.265 12.137 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.773 12.328 6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.006 12.928 7.702 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.993 14.640 8.138 1.00 0.00 H new ATOM 1313 N ASN A 100 15.747 11.697 1.792 1.00 0.00 N ATOM 1314 CA ASN A 100 16.311 12.016 0.486 1.00 0.00 C ATOM 1315 C ASN A 100 15.662 13.268 -0.095 1.00 0.00 C ATOM 1316 O ASN A 100 16.179 14.376 0.164 1.00 0.00 O ATOM 1317 CB ASN A 100 16.129 10.839 -0.477 1.00 0.00 C ATOM 1318 CG ASN A 100 17.191 9.764 -0.311 1.00 0.00 C ATOM 1319 OD1 ASN A 100 17.577 9.111 -1.281 1.00 0.00 O ATOM 1320 ND2 ASN A 100 17.666 9.568 0.915 1.00 0.00 N ATOM 0 H ASN A 100 15.137 10.879 1.800 1.00 0.00 H new ATOM 0 HA ASN A 100 17.376 12.206 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 100 15.145 10.397 -0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.152 11.209 -1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.377 8.855 1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.320 10.131 1.692 1.00 0.00 H new TER 1327 ASN A 100