USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 47 LYS NZ :NH3+ -164:sc= 0.751 (180deg=0) USER MOD Set 1.2: A 51 SER OG : rot -101:sc= 1.39 USER MOD Set 2.1: A 33 GLN : amide:sc= 0.963 K(o=2.2,f=-4.4) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0) USER MOD Set 3.1: A 23 ASN : amide:sc= 1.05 K(o=2.3,f=-0.52) USER MOD Set 3.2: A 26 THR OG1 : rot 135:sc= 1.24 USER MOD Set 4.1: A 2 TYR OH : rot -47:sc= 0.885 USER MOD Set 4.2: A 6 SER OG : rot 41:sc= 1.93 USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0813 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -134:sc= -0.261 (180deg=-0.928) USER MOD Single : A 12 GLN : amide:sc= 0.131 K(o=0.13,f=-7.1!) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= -0.616! (180deg=-0.665!) USER MOD Single : A 17 MET CE :methyl 174:sc= -0.0458 (180deg=-0.135) USER MOD Single : A 21 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.32) USER MOD Single : A 28 THR OG1 : rot 85:sc= 1.01 USER MOD Single : A 29 GLN : amide:sc= 1.22 K(o=1.2,f=-0.011) USER MOD Single : A 32 SER OG : rot -30:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.739 (180deg=0.587) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 169:sc= -0.0778 (180deg=-0.311) USER MOD Single : A 57 SER OG : rot -145:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot -76:sc= 1.24 USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.24) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0.914) USER MOD Single : A 67 GLN : amide:sc= 0.661 K(o=0.66,f=-4.6!) USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= 0.55 (180deg=-0.667!) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= 0.587 (180deg=-2.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.602 -0.104 4.793 1.00 0.00 N ATOM 2 CA GLY A 1 -17.074 -1.296 5.488 1.00 0.00 C ATOM 3 C GLY A 1 -15.720 -1.001 6.123 1.00 0.00 C ATOM 4 O GLY A 1 -15.031 -0.096 5.653 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.151 -0.402 3.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.216 0.432 5.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.811 0.498 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.778 -1.616 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.977 -2.120 4.782 1.00 0.00 H new ATOM 10 N TYR A 2 -15.329 -1.801 7.128 1.00 0.00 N ATOM 11 CA TYR A 2 -14.002 -1.855 7.767 1.00 0.00 C ATOM 12 C TYR A 2 -12.849 -1.657 6.786 1.00 0.00 C ATOM 13 O TYR A 2 -11.927 -0.895 7.070 1.00 0.00 O ATOM 14 CB TYR A 2 -13.894 -3.212 8.493 1.00 0.00 C ATOM 15 CG TYR A 2 -12.513 -3.598 8.996 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.734 -2.693 9.742 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.992 -4.872 8.683 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.430 -3.041 10.132 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.690 -5.228 9.078 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.895 -4.305 9.788 1.00 0.00 C ATOM 21 OH TYR A 2 -8.599 -4.595 10.068 1.00 0.00 O ATOM 0 H TYR A 2 -15.974 -2.473 7.544 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.915 -1.027 8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.577 -3.201 9.343 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.241 -3.991 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.140 -1.730 10.015 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.598 -5.579 8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.833 -2.340 10.697 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.300 -6.206 8.838 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.029 -3.849 9.787 1.00 0.00 H new ATOM 31 N PHE A 3 -12.949 -2.285 5.613 1.00 0.00 N ATOM 32 CA PHE A 3 -11.993 -2.178 4.530 1.00 0.00 C ATOM 33 C PHE A 3 -11.384 -0.794 4.324 1.00 0.00 C ATOM 34 O PHE A 3 -10.168 -0.748 4.173 1.00 0.00 O ATOM 35 CB PHE A 3 -12.620 -2.686 3.234 1.00 0.00 C ATOM 36 CG PHE A 3 -12.597 -4.187 3.086 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.364 -4.827 2.854 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.789 -4.934 3.126 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.321 -6.215 2.664 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.742 -6.325 2.940 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.509 -6.958 2.709 1.00 0.00 C ATOM 0 H PHE A 3 -13.730 -2.903 5.392 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.152 -2.805 4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.653 -2.342 3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.094 -2.240 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.452 -4.249 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.734 -4.440 3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.378 -6.709 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.651 -6.907 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.476 -8.028 2.565 1.00 0.00 H new ATOM 51 N CYS A 4 -12.155 0.304 4.300 1.00 0.00 N ATOM 52 CA CYS A 4 -11.551 1.602 4.000 1.00 0.00 C ATOM 53 C CYS A 4 -10.483 1.991 5.025 1.00 0.00 C ATOM 54 O CYS A 4 -9.426 2.473 4.628 1.00 0.00 O ATOM 55 CB CYS A 4 -12.569 2.739 3.857 1.00 0.00 C ATOM 56 SG CYS A 4 -11.805 4.129 2.963 1.00 0.00 S ATOM 0 H CYS A 4 -13.159 0.319 4.478 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.079 1.467 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.450 2.387 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.905 3.066 4.841 1.00 0.00 H new ATOM 61 N GLU A 5 -10.748 1.785 6.320 1.00 0.00 N ATOM 62 CA GLU A 5 -9.835 2.156 7.398 1.00 0.00 C ATOM 63 C GLU A 5 -8.532 1.400 7.194 1.00 0.00 C ATOM 64 O GLU A 5 -7.478 1.994 6.970 1.00 0.00 O ATOM 65 CB GLU A 5 -10.487 1.810 8.755 1.00 0.00 C ATOM 66 CG GLU A 5 -9.660 2.179 9.999 1.00 0.00 C ATOM 67 CD GLU A 5 -8.335 1.415 10.159 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.300 0.162 10.230 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.279 2.069 10.257 1.00 0.00 O ATOM 0 H GLU A 5 -11.611 1.352 6.648 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.627 3.226 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.450 2.318 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.689 0.739 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.443 3.247 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.270 2.004 10.885 1.00 0.00 H new ATOM 76 N SER A 6 -8.614 0.073 7.226 1.00 0.00 N ATOM 77 CA SER A 6 -7.423 -0.744 7.152 1.00 0.00 C ATOM 78 C SER A 6 -6.714 -0.593 5.805 1.00 0.00 C ATOM 79 O SER A 6 -5.489 -0.607 5.777 1.00 0.00 O ATOM 80 CB SER A 6 -7.718 -2.156 7.621 1.00 0.00 C ATOM 81 OG SER A 6 -7.691 -2.155 9.043 1.00 0.00 O ATOM 0 H SER A 6 -9.487 -0.449 7.302 1.00 0.00 H new ATOM 0 HA SER A 6 -6.673 -0.383 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.692 -2.484 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.979 -2.853 7.225 1.00 0.00 H new ATOM 0 HG SER A 6 -8.135 -1.348 9.378 1.00 0.00 H new ATOM 87 N CYS A 7 -7.434 -0.479 4.686 1.00 0.00 N ATOM 88 CA CYS A 7 -6.828 -0.194 3.390 1.00 0.00 C ATOM 89 C CYS A 7 -6.028 1.111 3.474 1.00 0.00 C ATOM 90 O CYS A 7 -4.856 1.127 3.094 1.00 0.00 O ATOM 91 CB CYS A 7 -7.912 -0.124 2.309 1.00 0.00 C ATOM 92 SG CYS A 7 -7.357 0.433 0.678 1.00 0.00 S ATOM 0 H CYS A 7 -8.448 -0.582 4.656 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.141 -0.996 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.358 -1.113 2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.700 0.546 2.653 1.00 0.00 H new ATOM 97 N ARG A 8 -6.625 2.185 4.015 1.00 0.00 N ATOM 98 CA ARG A 8 -5.937 3.457 4.206 1.00 0.00 C ATOM 99 C ARG A 8 -4.672 3.213 5.024 1.00 0.00 C ATOM 100 O ARG A 8 -3.606 3.631 4.593 1.00 0.00 O ATOM 101 CB ARG A 8 -6.872 4.502 4.856 1.00 0.00 C ATOM 102 CG ARG A 8 -6.235 5.899 4.925 1.00 0.00 C ATOM 103 CD ARG A 8 -6.837 6.798 6.009 1.00 0.00 C ATOM 104 NE ARG A 8 -5.957 7.959 6.244 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.280 9.245 6.418 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.530 9.688 6.274 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.301 10.088 6.732 1.00 0.00 N ATOM 0 H ARG A 8 -7.595 2.189 4.329 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.647 3.873 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.801 4.557 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.133 4.175 5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.166 5.792 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.347 6.388 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.827 7.137 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.964 6.234 6.933 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.959 7.751 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.276 9.039 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.740 10.676 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.345 9.745 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.506 11.077 6.873 1.00 0.00 H new ATOM 121 N LYS A 9 -4.770 2.536 6.170 1.00 0.00 N ATOM 122 CA LYS A 9 -3.650 2.215 7.053 1.00 0.00 C ATOM 123 C LYS A 9 -2.547 1.452 6.312 1.00 0.00 C ATOM 124 O LYS A 9 -1.372 1.758 6.509 1.00 0.00 O ATOM 125 CB LYS A 9 -4.222 1.434 8.249 1.00 0.00 C ATOM 126 CG LYS A 9 -3.194 1.004 9.304 1.00 0.00 C ATOM 127 CD LYS A 9 -3.880 0.211 10.431 1.00 0.00 C ATOM 128 CE LYS A 9 -4.632 1.126 11.410 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.885 0.520 11.914 1.00 0.00 N ATOM 0 H LYS A 9 -5.662 2.185 6.519 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.167 3.124 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.980 2.049 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.726 0.544 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.421 0.392 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.699 1.883 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.578 -0.505 9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.131 -0.364 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.982 1.360 12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.863 2.069 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.653 1.220 11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.131 -0.304 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.752 0.218 12.900 1.00 0.00 H new ATOM 143 N ILE A 10 -2.908 0.468 5.483 1.00 0.00 N ATOM 144 CA ILE A 10 -1.966 -0.347 4.721 1.00 0.00 C ATOM 145 C ILE A 10 -1.164 0.554 3.781 1.00 0.00 C ATOM 146 O ILE A 10 0.063 0.459 3.801 1.00 0.00 O ATOM 147 CB ILE A 10 -2.678 -1.544 4.042 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.060 -2.584 5.123 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.797 -2.248 2.990 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.159 -3.556 4.681 1.00 0.00 C ATOM 0 H ILE A 10 -3.882 0.213 5.322 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.240 -0.816 5.385 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.556 -1.146 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.172 -3.154 5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.390 -2.059 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.350 -3.078 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.525 -1.538 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.893 -2.627 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.374 -4.255 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.062 -2.997 4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.824 -4.109 3.803 1.00 0.00 H new ATOM 162 N ILE A 11 -1.807 1.427 2.992 1.00 0.00 N ATOM 163 CA ILE A 11 -1.040 2.372 2.186 1.00 0.00 C ATOM 164 C ILE A 11 -0.260 3.321 3.093 1.00 0.00 C ATOM 165 O ILE A 11 0.928 3.456 2.861 1.00 0.00 O ATOM 166 CB ILE A 11 -1.876 3.112 1.120 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.128 2.176 -0.089 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.144 4.365 0.596 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.586 1.759 -0.194 1.00 0.00 C ATOM 0 H ILE A 11 -2.820 1.495 2.899 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.327 1.790 1.602 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.813 3.410 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.829 2.682 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.503 1.288 0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.762 4.861 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.957 5.050 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.195 4.071 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.716 1.104 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.879 1.229 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.210 2.645 -0.314 1.00 0.00 H new ATOM 181 N GLN A 12 -0.870 3.951 4.102 1.00 0.00 N ATOM 182 CA GLN A 12 -0.214 4.969 4.928 1.00 0.00 C ATOM 183 C GLN A 12 1.122 4.477 5.471 1.00 0.00 C ATOM 184 O GLN A 12 2.114 5.186 5.366 1.00 0.00 O ATOM 185 CB GLN A 12 -1.106 5.411 6.099 1.00 0.00 C ATOM 186 CG GLN A 12 -2.336 6.220 5.670 1.00 0.00 C ATOM 187 CD GLN A 12 -2.181 7.736 5.800 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.034 8.376 6.421 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.189 8.351 5.173 1.00 0.00 N ATOM 0 H GLN A 12 -1.837 3.768 4.370 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.037 5.825 4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.436 4.528 6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.512 6.009 6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.568 5.980 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.190 5.903 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.492 7.807 4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.122 9.368 5.199 1.00 0.00 H new ATOM 198 N LYS A 13 1.174 3.271 6.044 1.00 0.00 N ATOM 199 CA LYS A 13 2.433 2.775 6.591 1.00 0.00 C ATOM 200 C LYS A 13 3.453 2.510 5.482 1.00 0.00 C ATOM 201 O LYS A 13 4.645 2.606 5.768 1.00 0.00 O ATOM 202 CB LYS A 13 2.162 1.520 7.441 1.00 0.00 C ATOM 203 CG LYS A 13 3.358 1.020 8.275 1.00 0.00 C ATOM 204 CD LYS A 13 3.710 1.921 9.476 1.00 0.00 C ATOM 205 CE LYS A 13 5.169 2.399 9.466 1.00 0.00 C ATOM 206 NZ LYS A 13 5.392 3.424 8.437 1.00 0.00 N ATOM 0 H LYS A 13 0.380 2.637 6.139 1.00 0.00 H new ATOM 0 HA LYS A 13 2.870 3.538 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.332 1.730 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.839 0.716 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.138 0.017 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.231 0.940 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.050 2.789 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.520 1.375 10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.428 2.802 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.830 1.551 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.395 3.701 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.136 3.041 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.804 4.257 8.643 1.00 0.00 H new ATOM 220 N LEU A 14 3.011 2.150 4.272 1.00 0.00 N ATOM 221 CA LEU A 14 3.888 1.866 3.139 1.00 0.00 C ATOM 222 C LEU A 14 4.455 3.207 2.669 1.00 0.00 C ATOM 223 O LEU A 14 5.659 3.349 2.552 1.00 0.00 O ATOM 224 CB LEU A 14 3.092 1.195 1.996 1.00 0.00 C ATOM 225 CG LEU A 14 3.937 0.385 0.995 1.00 0.00 C ATOM 226 CD1 LEU A 14 3.035 0.006 -0.181 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.208 1.052 0.481 1.00 0.00 C ATOM 0 H LEU A 14 2.020 2.047 4.053 1.00 0.00 H new ATOM 0 HA LEU A 14 4.686 1.183 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.345 0.534 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.552 1.968 1.449 1.00 0.00 H new ATOM 0 HG LEU A 14 4.305 -0.480 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.608 -0.570 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.199 -0.594 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.654 0.911 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.714 0.383 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.951 1.980 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.869 1.270 1.320 1.00 0.00 H new ATOM 239 N GLU A 15 3.570 4.169 2.422 1.00 0.00 N ATOM 240 CA GLU A 15 3.773 5.533 1.953 1.00 0.00 C ATOM 241 C GLU A 15 4.795 6.244 2.835 1.00 0.00 C ATOM 242 O GLU A 15 5.759 6.806 2.330 1.00 0.00 O ATOM 243 CB GLU A 15 2.362 6.168 1.969 1.00 0.00 C ATOM 244 CG GLU A 15 2.189 7.643 1.588 1.00 0.00 C ATOM 245 CD GLU A 15 0.710 8.090 1.676 1.00 0.00 C ATOM 246 OE1 GLU A 15 0.002 7.747 2.659 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.258 8.800 0.742 1.00 0.00 O ATOM 0 H GLU A 15 2.576 3.987 2.563 1.00 0.00 H new ATOM 0 HA GLU A 15 4.193 5.599 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.734 5.582 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.959 6.042 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.796 8.262 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.557 7.802 0.574 1.00 0.00 H new ATOM 254 N ASP A 16 4.606 6.156 4.148 1.00 0.00 N ATOM 255 CA ASP A 16 5.524 6.643 5.178 1.00 0.00 C ATOM 256 C ASP A 16 6.915 6.029 5.015 1.00 0.00 C ATOM 257 O ASP A 16 7.901 6.759 4.996 1.00 0.00 O ATOM 258 CB ASP A 16 4.835 6.293 6.511 1.00 0.00 C ATOM 259 CG ASP A 16 5.633 6.184 7.810 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.742 5.609 7.790 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.936 6.085 8.846 1.00 0.00 O ATOM 0 H ASP A 16 3.771 5.724 4.543 1.00 0.00 H new ATOM 0 HA ASP A 16 5.708 7.716 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.060 7.042 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.330 5.338 6.367 1.00 0.00 H new ATOM 266 N MET A 17 6.996 4.705 4.855 1.00 0.00 N ATOM 267 CA MET A 17 8.272 4.008 4.770 1.00 0.00 C ATOM 268 C MET A 17 8.991 4.294 3.454 1.00 0.00 C ATOM 269 O MET A 17 10.185 4.576 3.470 1.00 0.00 O ATOM 270 CB MET A 17 8.063 2.494 4.935 1.00 0.00 C ATOM 271 CG MET A 17 7.928 2.096 6.408 1.00 0.00 C ATOM 272 SD MET A 17 7.147 0.481 6.741 1.00 0.00 S ATOM 273 CE MET A 17 7.977 -0.557 5.507 1.00 0.00 C ATOM 0 H MET A 17 6.182 4.094 4.782 1.00 0.00 H new ATOM 0 HA MET A 17 8.901 4.379 5.579 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.168 2.189 4.393 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.903 1.960 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.922 2.094 6.854 1.00 0.00 H new ATOM 0 HG3 MET A 17 7.351 2.867 6.919 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.687 -1.598 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.687 -0.236 4.507 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.057 -0.463 5.619 1.00 0.00 H new ATOM 283 N VAL A 18 8.335 4.038 2.320 1.00 0.00 N ATOM 284 CA VAL A 18 8.920 4.250 1.003 1.00 0.00 C ATOM 285 C VAL A 18 9.268 5.731 0.769 1.00 0.00 C ATOM 286 O VAL A 18 10.171 6.045 -0.004 1.00 0.00 O ATOM 287 CB VAL A 18 8.038 3.590 -0.070 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.824 4.409 -0.510 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.886 3.106 -1.243 1.00 0.00 C ATOM 0 H VAL A 18 7.381 3.677 2.294 1.00 0.00 H new ATOM 0 HA VAL A 18 9.886 3.750 0.933 1.00 0.00 H new ATOM 0 HB VAL A 18 7.588 2.721 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.268 3.857 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.180 4.595 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.158 5.360 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.242 2.642 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.408 3.953 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.614 2.377 -0.889 1.00 0.00 H new ATOM 299 N GLY A 19 8.519 6.632 1.412 1.00 0.00 N ATOM 300 CA GLY A 19 8.596 8.070 1.265 1.00 0.00 C ATOM 301 C GLY A 19 7.782 8.560 0.057 1.00 0.00 C ATOM 302 O GLY A 19 7.334 7.770 -0.777 1.00 0.00 O ATOM 0 H GLY A 19 7.806 6.351 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.227 8.549 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.638 8.369 1.148 1.00 0.00 H new ATOM 306 N PRO A 20 7.591 9.884 -0.076 1.00 0.00 N ATOM 307 CA PRO A 20 6.723 10.469 -1.097 1.00 0.00 C ATOM 308 C PRO A 20 7.231 10.508 -2.540 1.00 0.00 C ATOM 309 O PRO A 20 6.469 10.885 -3.428 1.00 0.00 O ATOM 310 CB PRO A 20 6.373 11.862 -0.561 1.00 0.00 C ATOM 311 CG PRO A 20 7.598 12.235 0.277 1.00 0.00 C ATOM 312 CD PRO A 20 8.032 10.898 0.870 1.00 0.00 C ATOM 0 HA PRO A 20 5.864 9.811 -1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.207 12.574 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.464 11.845 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.384 12.679 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.350 12.959 1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.113 10.863 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.582 10.740 1.850 1.00 0.00 H new ATOM 320 N GLN A 21 8.462 10.077 -2.797 1.00 0.00 N ATOM 321 CA GLN A 21 9.022 9.962 -4.150 1.00 0.00 C ATOM 322 C GLN A 21 9.754 8.619 -4.319 1.00 0.00 C ATOM 323 O GLN A 21 10.984 8.593 -4.300 1.00 0.00 O ATOM 324 CB GLN A 21 9.942 11.153 -4.495 1.00 0.00 C ATOM 325 CG GLN A 21 9.272 12.540 -4.506 1.00 0.00 C ATOM 326 CD GLN A 21 9.254 13.243 -3.147 1.00 0.00 C ATOM 327 OE1 GLN A 21 8.222 13.695 -2.673 1.00 0.00 O ATOM 328 NE2 GLN A 21 10.397 13.390 -2.492 1.00 0.00 N ATOM 0 H GLN A 21 9.112 9.792 -2.064 1.00 0.00 H new ATOM 0 HA GLN A 21 8.192 9.990 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.762 11.173 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.381 10.975 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.791 13.175 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.247 12.432 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.261 13.015 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.413 13.878 -1.597 1.00 0.00 H new ATOM 337 N PRO A 22 9.033 7.492 -4.439 1.00 0.00 N ATOM 338 CA PRO A 22 9.632 6.170 -4.563 1.00 0.00 C ATOM 339 C PRO A 22 9.720 5.709 -6.030 1.00 0.00 C ATOM 340 O PRO A 22 9.383 6.440 -6.960 1.00 0.00 O ATOM 341 CB PRO A 22 8.661 5.308 -3.772 1.00 0.00 C ATOM 342 CG PRO A 22 7.313 5.859 -4.219 1.00 0.00 C ATOM 343 CD PRO A 22 7.585 7.362 -4.304 1.00 0.00 C ATOM 0 HA PRO A 22 10.660 6.127 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.768 4.250 -4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.807 5.410 -2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.004 5.447 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.523 5.629 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.070 7.806 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.227 7.876 -3.412 1.00 0.00 H new ATOM 351 N ASN A 23 10.088 4.441 -6.232 1.00 0.00 N ATOM 352 CA ASN A 23 10.120 3.735 -7.511 1.00 0.00 C ATOM 353 C ASN A 23 9.576 2.322 -7.264 1.00 0.00 C ATOM 354 O ASN A 23 9.641 1.822 -6.143 1.00 0.00 O ATOM 355 CB ASN A 23 11.536 3.690 -8.110 1.00 0.00 C ATOM 356 CG ASN A 23 12.489 2.852 -7.269 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.752 3.188 -6.125 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.012 1.747 -7.777 1.00 0.00 N ATOM 0 H ASN A 23 10.389 3.847 -5.460 1.00 0.00 H new ATOM 0 HA ASN A 23 9.506 4.262 -8.241 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.489 3.281 -9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.925 4.705 -8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.637 1.172 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.789 1.470 -8.733 1.00 0.00 H new ATOM 365 N GLU A 24 9.022 1.698 -8.307 1.00 0.00 N ATOM 366 CA GLU A 24 8.320 0.404 -8.317 1.00 0.00 C ATOM 367 C GLU A 24 8.964 -0.696 -7.463 1.00 0.00 C ATOM 368 O GLU A 24 8.241 -1.412 -6.762 1.00 0.00 O ATOM 369 CB GLU A 24 8.183 -0.009 -9.800 1.00 0.00 C ATOM 370 CG GLU A 24 7.835 -1.478 -10.142 1.00 0.00 C ATOM 371 CD GLU A 24 6.353 -1.871 -10.064 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.467 -1.001 -10.188 1.00 0.00 O ATOM 373 OE2 GLU A 24 6.057 -3.089 -10.048 1.00 0.00 O ATOM 0 H GLU A 24 9.053 2.112 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 24 7.348 0.531 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.416 0.623 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.124 0.230 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.189 -1.686 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.395 -2.126 -9.468 1.00 0.00 H new ATOM 380 N ASP A 25 10.296 -0.821 -7.482 1.00 0.00 N ATOM 381 CA ASP A 25 10.966 -1.838 -6.672 1.00 0.00 C ATOM 382 C ASP A 25 10.882 -1.452 -5.205 1.00 0.00 C ATOM 383 O ASP A 25 10.369 -2.224 -4.401 1.00 0.00 O ATOM 384 CB ASP A 25 12.430 -2.062 -7.049 1.00 0.00 C ATOM 385 CG ASP A 25 12.988 -3.113 -6.082 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.630 -4.295 -6.264 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.682 -2.710 -5.122 1.00 0.00 O ATOM 0 H ASP A 25 10.921 -0.240 -8.041 1.00 0.00 H new ATOM 0 HA ASP A 25 10.446 -2.776 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.514 -2.404 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.994 -1.132 -6.975 1.00 0.00 H new ATOM 392 N THR A 26 11.308 -0.239 -4.858 1.00 0.00 N ATOM 393 CA THR A 26 11.333 0.226 -3.483 1.00 0.00 C ATOM 394 C THR A 26 9.924 0.155 -2.883 1.00 0.00 C ATOM 395 O THR A 26 9.787 -0.258 -1.735 1.00 0.00 O ATOM 396 CB THR A 26 11.987 1.614 -3.415 1.00 0.00 C ATOM 397 OG1 THR A 26 13.196 1.571 -4.142 1.00 0.00 O ATOM 398 CG2 THR A 26 12.386 2.011 -1.991 1.00 0.00 C ATOM 0 H THR A 26 11.646 0.449 -5.531 1.00 0.00 H new ATOM 0 HA THR A 26 11.951 -0.424 -2.864 1.00 0.00 H new ATOM 0 HB THR A 26 11.259 2.325 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.261 2.362 -4.717 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.843 3.000 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.500 2.029 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.099 1.287 -1.598 1.00 0.00 H new ATOM 406 N VAL A 27 8.860 0.456 -3.644 1.00 0.00 N ATOM 407 CA VAL A 27 7.485 0.278 -3.165 1.00 0.00 C ATOM 408 C VAL A 27 7.241 -1.208 -2.869 1.00 0.00 C ATOM 409 O VAL A 27 6.676 -1.539 -1.825 1.00 0.00 O ATOM 410 CB VAL A 27 6.430 0.834 -4.154 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.015 0.711 -3.558 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.625 2.318 -4.496 1.00 0.00 C ATOM 0 H VAL A 27 8.928 0.824 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 27 7.369 0.857 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 27 6.555 0.239 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.286 1.106 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.794 -0.337 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.961 1.277 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.849 2.636 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.560 2.913 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.604 2.460 -4.953 1.00 0.00 H new ATOM 422 N THR A 28 7.650 -2.109 -3.760 1.00 0.00 N ATOM 423 CA THR A 28 7.504 -3.547 -3.593 1.00 0.00 C ATOM 424 C THR A 28 8.265 -4.057 -2.357 1.00 0.00 C ATOM 425 O THR A 28 7.663 -4.744 -1.521 1.00 0.00 O ATOM 426 CB THR A 28 7.905 -4.245 -4.906 1.00 0.00 C ATOM 427 OG1 THR A 28 7.024 -3.806 -5.923 1.00 0.00 O ATOM 428 CG2 THR A 28 7.814 -5.770 -4.802 1.00 0.00 C ATOM 0 H THR A 28 8.102 -1.850 -4.637 1.00 0.00 H new ATOM 0 HA THR A 28 6.462 -3.795 -3.393 1.00 0.00 H new ATOM 0 HB THR A 28 8.941 -3.989 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.351 -2.961 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.106 -6.218 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.481 -6.121 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.790 -6.058 -4.565 1.00 0.00 H new ATOM 436 N GLN A 29 9.551 -3.737 -2.188 1.00 0.00 N ATOM 437 CA GLN A 29 10.298 -4.214 -1.028 1.00 0.00 C ATOM 438 C GLN A 29 9.792 -3.539 0.253 1.00 0.00 C ATOM 439 O GLN A 29 9.574 -4.239 1.248 1.00 0.00 O ATOM 440 CB GLN A 29 11.822 -4.121 -1.211 1.00 0.00 C ATOM 441 CG GLN A 29 12.380 -2.762 -1.644 1.00 0.00 C ATOM 442 CD GLN A 29 13.892 -2.704 -1.453 1.00 0.00 C ATOM 443 OE1 GLN A 29 14.365 -2.684 -0.321 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.669 -2.685 -2.521 1.00 0.00 N ATOM 0 H GLN A 29 10.088 -3.157 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 29 10.105 -5.282 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.296 -4.399 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.122 -4.864 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.135 -2.582 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.906 -1.969 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.255 -2.702 -3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.683 -2.653 -2.414 1.00 0.00 H new ATOM 453 N ALA A 30 9.487 -2.235 0.231 1.00 0.00 N ATOM 454 CA ALA A 30 8.891 -1.544 1.368 1.00 0.00 C ATOM 455 C ALA A 30 7.567 -2.204 1.745 1.00 0.00 C ATOM 456 O ALA A 30 7.303 -2.371 2.928 1.00 0.00 O ATOM 457 CB ALA A 30 8.706 -0.050 1.089 1.00 0.00 C ATOM 0 H ALA A 30 9.649 -1.635 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 30 9.575 -1.626 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.259 0.430 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.675 0.404 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.052 0.081 0.227 1.00 0.00 H new ATOM 463 N ALA A 31 6.748 -2.631 0.780 1.00 0.00 N ATOM 464 CA ALA A 31 5.522 -3.391 0.989 1.00 0.00 C ATOM 465 C ALA A 31 5.829 -4.746 1.643 1.00 0.00 C ATOM 466 O ALA A 31 5.096 -5.170 2.538 1.00 0.00 O ATOM 467 CB ALA A 31 4.730 -3.574 -0.309 1.00 0.00 C ATOM 0 H ALA A 31 6.932 -2.447 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 31 4.893 -2.814 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.825 -4.146 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.460 -2.598 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.341 -4.109 -1.036 1.00 0.00 H new ATOM 473 N SER A 32 6.809 -5.517 1.156 1.00 0.00 N ATOM 474 CA SER A 32 7.175 -6.777 1.817 1.00 0.00 C ATOM 475 C SER A 32 7.400 -6.574 3.330 1.00 0.00 C ATOM 476 O SER A 32 6.989 -7.415 4.136 1.00 0.00 O ATOM 477 CB SER A 32 8.372 -7.431 1.111 1.00 0.00 C ATOM 478 OG SER A 32 9.611 -6.871 1.487 1.00 0.00 O ATOM 0 H SER A 32 7.354 -5.297 0.322 1.00 0.00 H new ATOM 0 HA SER A 32 6.340 -7.473 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.380 -8.498 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.248 -7.333 0.033 1.00 0.00 H new ATOM 0 HG SER A 32 9.487 -5.926 1.713 1.00 0.00 H new ATOM 484 N GLN A 33 7.875 -5.384 3.719 1.00 0.00 N ATOM 485 CA GLN A 33 8.017 -4.977 5.103 1.00 0.00 C ATOM 486 C GLN A 33 6.743 -4.328 5.624 1.00 0.00 C ATOM 487 O GLN A 33 6.507 -4.446 6.822 1.00 0.00 O ATOM 488 CB GLN A 33 9.191 -3.995 5.268 1.00 0.00 C ATOM 489 CG GLN A 33 10.548 -4.698 5.364 1.00 0.00 C ATOM 490 CD GLN A 33 10.676 -5.309 6.762 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.584 -4.604 7.771 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.798 -6.622 6.866 1.00 0.00 N ATOM 0 H GLN A 33 8.175 -4.668 3.057 1.00 0.00 H new ATOM 0 HA GLN A 33 8.215 -5.878 5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.203 -3.306 4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.034 -3.396 6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.629 -5.473 4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.356 -3.989 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.873 -7.195 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.817 -7.061 7.786 1.00 0.00 H new ATOM 501 N VAL A 34 5.913 -3.681 4.799 1.00 0.00 N ATOM 502 CA VAL A 34 4.734 -2.977 5.277 1.00 0.00 C ATOM 503 C VAL A 34 3.852 -4.038 5.936 1.00 0.00 C ATOM 504 O VAL A 34 3.352 -3.835 7.036 1.00 0.00 O ATOM 505 CB VAL A 34 3.969 -2.180 4.198 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.960 -2.860 3.256 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.254 -1.038 4.876 1.00 0.00 C ATOM 0 H VAL A 34 6.044 -3.635 3.789 1.00 0.00 H new ATOM 0 HA VAL A 34 5.041 -2.200 5.977 1.00 0.00 H new ATOM 0 HB VAL A 34 4.778 -1.924 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.539 -2.118 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.466 -3.634 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.160 -3.310 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.706 -0.459 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.557 -1.433 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.982 -0.395 5.371 1.00 0.00 H new ATOM 517 N CYS A 35 3.717 -5.201 5.285 1.00 0.00 N ATOM 518 CA CYS A 35 2.944 -6.317 5.787 1.00 0.00 C ATOM 519 C CYS A 35 3.603 -6.957 7.003 1.00 0.00 C ATOM 520 O CYS A 35 2.880 -7.298 7.937 1.00 0.00 O ATOM 521 CB CYS A 35 2.683 -7.350 4.689 1.00 0.00 C ATOM 522 SG CYS A 35 1.796 -6.748 3.220 1.00 0.00 S ATOM 0 H CYS A 35 4.153 -5.384 4.381 1.00 0.00 H new ATOM 0 HA CYS A 35 1.980 -5.924 6.110 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.641 -7.759 4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.113 -8.173 5.120 1.00 0.00 H new ATOM 527 N ASP A 36 4.908 -7.276 6.979 1.00 0.00 N ATOM 528 CA ASP A 36 5.534 -7.760 8.216 1.00 0.00 C ATOM 529 C ASP A 36 5.300 -6.844 9.422 1.00 0.00 C ATOM 530 O ASP A 36 4.915 -7.300 10.504 1.00 0.00 O ATOM 531 CB ASP A 36 7.037 -8.065 8.154 1.00 0.00 C ATOM 532 CG ASP A 36 7.449 -8.499 9.577 1.00 0.00 C ATOM 533 OD1 ASP A 36 7.020 -9.599 10.003 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.944 -7.650 10.349 1.00 0.00 O ATOM 0 H ASP A 36 5.520 -7.213 6.165 1.00 0.00 H new ATOM 0 HA ASP A 36 5.013 -8.709 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.244 -8.854 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.599 -7.187 7.837 1.00 0.00 H new ATOM 539 N LYS A 37 5.506 -5.546 9.213 1.00 0.00 N ATOM 540 CA LYS A 37 5.486 -4.530 10.252 1.00 0.00 C ATOM 541 C LYS A 37 4.047 -4.298 10.688 1.00 0.00 C ATOM 542 O LYS A 37 3.816 -4.151 11.887 1.00 0.00 O ATOM 543 CB LYS A 37 6.212 -3.304 9.670 1.00 0.00 C ATOM 544 CG LYS A 37 6.769 -2.316 10.701 1.00 0.00 C ATOM 545 CD LYS A 37 7.662 -1.229 10.058 1.00 0.00 C ATOM 546 CE LYS A 37 8.711 -1.708 9.025 1.00 0.00 C ATOM 547 NZ LYS A 37 9.706 -2.672 9.560 1.00 0.00 N ATOM 0 H LYS A 37 5.697 -5.165 8.286 1.00 0.00 H new ATOM 0 HA LYS A 37 6.008 -4.813 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.035 -3.653 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.521 -2.770 9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.941 -1.838 11.225 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.347 -2.862 11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.013 -0.501 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.187 -0.704 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.191 -2.170 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.240 -0.839 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.044 -3.285 8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.510 -2.152 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.262 -3.255 10.298 1.00 0.00 H new ATOM 561 N LEU A 38 3.078 -4.294 9.771 1.00 0.00 N ATOM 562 CA LEU A 38 1.674 -4.228 10.137 1.00 0.00 C ATOM 563 C LEU A 38 1.296 -5.665 10.507 1.00 0.00 C ATOM 564 O LEU A 38 0.617 -6.358 9.742 1.00 0.00 O ATOM 565 CB LEU A 38 0.793 -3.710 8.981 1.00 0.00 C ATOM 566 CG LEU A 38 0.945 -2.217 8.648 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.117 -1.903 7.398 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.468 -1.315 9.795 1.00 0.00 C ATOM 0 H LEU A 38 3.248 -4.336 8.766 1.00 0.00 H new ATOM 0 HA LEU A 38 1.513 -3.528 10.957 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.022 -4.289 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.251 -3.904 9.228 1.00 0.00 H new ATOM 0 HG LEU A 38 2.004 -2.018 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.217 -0.846 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.475 -2.506 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.931 -2.134 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.595 -0.270 9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.585 -1.511 9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.055 -1.523 10.690 1.00 0.00 H new ATOM 580 N LYS A 39 1.662 -6.111 11.715 1.00 0.00 N ATOM 581 CA LYS A 39 1.219 -7.421 12.189 1.00 0.00 C ATOM 582 C LYS A 39 -0.231 -7.265 12.654 1.00 0.00 C ATOM 583 O LYS A 39 -0.724 -6.144 12.759 1.00 0.00 O ATOM 584 CB LYS A 39 2.260 -8.174 13.045 1.00 0.00 C ATOM 585 CG LYS A 39 2.963 -7.423 14.193 1.00 0.00 C ATOM 586 CD LYS A 39 4.374 -6.941 13.777 1.00 0.00 C ATOM 587 CE LYS A 39 5.399 -8.082 13.573 1.00 0.00 C ATOM 588 NZ LYS A 39 6.579 -7.670 12.768 1.00 0.00 N ATOM 0 H LYS A 39 2.251 -5.594 12.368 1.00 0.00 H new ATOM 0 HA LYS A 39 1.175 -8.173 11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.765 -9.045 13.475 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.033 -8.546 12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.359 -6.567 14.492 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.042 -8.077 15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.293 -6.371 12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.752 -6.260 14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.737 -8.437 14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.906 -8.921 13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.303 -8.415 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.290 -7.520 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.970 -6.786 13.153 1.00 0.00 H new ATOM 602 N ILE A 40 -0.944 -8.385 12.819 1.00 0.00 N ATOM 603 CA ILE A 40 -2.386 -8.481 13.108 1.00 0.00 C ATOM 604 C ILE A 40 -3.035 -8.296 11.727 1.00 0.00 C ATOM 605 O ILE A 40 -3.594 -9.235 11.168 1.00 0.00 O ATOM 606 CB ILE A 40 -2.949 -7.509 14.187 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.250 -7.755 15.543 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.481 -7.667 14.301 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.577 -6.699 16.605 1.00 0.00 C ATOM 0 H ILE A 40 -0.508 -9.304 12.751 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.616 -9.435 13.582 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.742 -6.482 13.887 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.539 -8.737 15.918 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.172 -7.779 15.387 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.862 -6.982 15.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.943 -7.439 13.340 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.721 -8.692 14.585 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.051 -6.938 17.529 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.262 -5.717 16.251 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.651 -6.690 16.791 1.00 0.00 H new ATOM 621 N LEU A 41 -2.780 -7.163 11.065 1.00 0.00 N ATOM 622 CA LEU A 41 -3.328 -6.809 9.756 1.00 0.00 C ATOM 623 C LEU A 41 -2.513 -7.436 8.604 1.00 0.00 C ATOM 624 O LEU A 41 -2.746 -7.179 7.420 1.00 0.00 O ATOM 625 CB LEU A 41 -3.349 -5.270 9.685 1.00 0.00 C ATOM 626 CG LEU A 41 -4.176 -4.669 8.536 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.610 -5.208 8.548 1.00 0.00 C ATOM 628 CD2 LEU A 41 -4.200 -3.144 8.689 1.00 0.00 C ATOM 0 H LEU A 41 -2.164 -6.443 11.441 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.336 -7.207 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.738 -4.886 10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.323 -4.914 9.595 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.717 -4.949 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.172 -4.766 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.592 -6.292 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.088 -4.950 9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.784 -2.706 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.652 -2.881 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.181 -2.758 8.651 1.00 0.00 H new ATOM 640 N ARG A 42 -1.615 -8.360 8.954 1.00 0.00 N ATOM 641 CA ARG A 42 -0.641 -9.034 8.100 1.00 0.00 C ATOM 642 C ARG A 42 -1.360 -9.766 6.969 1.00 0.00 C ATOM 643 O ARG A 42 -0.906 -9.725 5.825 1.00 0.00 O ATOM 644 CB ARG A 42 0.114 -10.018 9.018 1.00 0.00 C ATOM 645 CG ARG A 42 1.410 -10.639 8.477 1.00 0.00 C ATOM 646 CD ARG A 42 1.933 -11.627 9.542 1.00 0.00 C ATOM 647 NE ARG A 42 3.323 -12.067 9.321 1.00 0.00 N ATOM 648 CZ ARG A 42 4.423 -11.399 9.700 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.340 -10.183 10.224 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.632 -11.927 9.552 1.00 0.00 N ATOM 0 H ARG A 42 -1.547 -8.680 9.920 1.00 0.00 H new ATOM 0 HA ARG A 42 0.051 -8.334 7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.352 -9.498 9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.567 -10.830 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.224 -11.155 7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.151 -9.865 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.863 -11.158 10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.284 -12.503 9.560 1.00 0.00 H new ATOM 0 HE ARG A 42 3.460 -12.955 8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.429 -9.741 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.187 -9.690 10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.736 -12.856 9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.457 -11.404 9.846 1.00 0.00 H new ATOM 664 N GLY A 43 -2.483 -10.418 7.293 1.00 0.00 N ATOM 665 CA GLY A 43 -3.311 -11.146 6.347 1.00 0.00 C ATOM 666 C GLY A 43 -3.849 -10.222 5.261 1.00 0.00 C ATOM 667 O GLY A 43 -3.589 -10.459 4.080 1.00 0.00 O ATOM 0 H GLY A 43 -2.843 -10.450 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.729 -11.947 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.142 -11.616 6.873 1.00 0.00 H new ATOM 671 N LEU A 44 -4.589 -9.170 5.649 1.00 0.00 N ATOM 672 CA LEU A 44 -5.225 -8.281 4.682 1.00 0.00 C ATOM 673 C LEU A 44 -4.154 -7.656 3.802 1.00 0.00 C ATOM 674 O LEU A 44 -4.280 -7.728 2.586 1.00 0.00 O ATOM 675 CB LEU A 44 -6.110 -7.214 5.354 1.00 0.00 C ATOM 676 CG LEU A 44 -6.818 -6.273 4.346 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.696 -7.014 3.331 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.723 -5.272 5.072 1.00 0.00 C ATOM 0 H LEU A 44 -4.757 -8.921 6.624 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.900 -8.871 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.863 -7.711 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.496 -6.616 6.028 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.008 -5.772 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.160 -6.294 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.081 -7.706 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.471 -7.570 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.208 -4.624 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.482 -5.812 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.124 -4.667 5.753 1.00 0.00 H new ATOM 690 N CYS A 45 -3.085 -7.114 4.393 1.00 0.00 N ATOM 691 CA CYS A 45 -1.964 -6.547 3.661 1.00 0.00 C ATOM 692 C CYS A 45 -1.450 -7.505 2.582 1.00 0.00 C ATOM 693 O CYS A 45 -1.430 -7.145 1.405 1.00 0.00 O ATOM 694 CB CYS A 45 -0.870 -6.157 4.657 1.00 0.00 C ATOM 695 SG CYS A 45 0.531 -5.297 3.912 1.00 0.00 S ATOM 0 H CYS A 45 -2.979 -7.059 5.406 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.293 -5.653 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.305 -5.521 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.508 -7.057 5.154 1.00 0.00 H new ATOM 700 N LYS A 46 -1.077 -8.741 2.939 1.00 0.00 N ATOM 701 CA LYS A 46 -0.589 -9.688 1.934 1.00 0.00 C ATOM 702 C LYS A 46 -1.640 -9.933 0.847 1.00 0.00 C ATOM 703 O LYS A 46 -1.258 -10.035 -0.319 1.00 0.00 O ATOM 704 CB LYS A 46 -0.037 -10.973 2.563 1.00 0.00 C ATOM 705 CG LYS A 46 1.315 -10.654 3.227 1.00 0.00 C ATOM 706 CD LYS A 46 2.076 -11.886 3.727 1.00 0.00 C ATOM 707 CE LYS A 46 2.723 -12.742 2.621 1.00 0.00 C ATOM 708 NZ LYS A 46 3.926 -12.113 2.015 1.00 0.00 N ATOM 0 H LYS A 46 -1.103 -9.101 3.893 1.00 0.00 H new ATOM 0 HA LYS A 46 0.265 -9.233 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.738 -11.364 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.088 -11.743 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.941 -10.120 2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.144 -9.981 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.855 -11.559 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.390 -12.513 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.999 -13.711 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.987 -12.929 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.312 -12.739 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.664 -11.201 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.645 -11.959 2.751 1.00 0.00 H new ATOM 722 N LYS A 47 -2.935 -10.019 1.180 1.00 0.00 N ATOM 723 CA LYS A 47 -3.987 -10.126 0.166 1.00 0.00 C ATOM 724 C LYS A 47 -3.997 -8.902 -0.745 1.00 0.00 C ATOM 725 O LYS A 47 -4.109 -9.102 -1.953 1.00 0.00 O ATOM 726 CB LYS A 47 -5.365 -10.400 0.807 1.00 0.00 C ATOM 727 CG LYS A 47 -6.536 -10.476 -0.204 1.00 0.00 C ATOM 728 CD LYS A 47 -7.260 -9.133 -0.474 1.00 0.00 C ATOM 729 CE LYS A 47 -7.285 -8.690 -1.950 1.00 0.00 C ATOM 730 NZ LYS A 47 -8.051 -9.587 -2.851 1.00 0.00 N ATOM 0 H LYS A 47 -3.276 -10.016 2.141 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.764 -10.987 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.316 -11.339 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.577 -9.615 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.155 -10.862 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.266 -11.197 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.287 -9.213 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.778 -8.353 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.711 -7.688 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.259 -8.622 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.801 -9.382 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.820 -10.577 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.070 -9.431 -2.713 1.00 0.00 H new ATOM 744 N ILE A 48 -3.923 -7.675 -0.217 1.00 0.00 N ATOM 745 CA ILE A 48 -3.925 -6.446 -1.013 1.00 0.00 C ATOM 746 C ILE A 48 -2.803 -6.561 -2.041 1.00 0.00 C ATOM 747 O ILE A 48 -3.076 -6.520 -3.237 1.00 0.00 O ATOM 748 CB ILE A 48 -3.800 -5.176 -0.125 1.00 0.00 C ATOM 749 CG1 ILE A 48 -4.997 -4.951 0.827 1.00 0.00 C ATOM 750 CG2 ILE A 48 -3.583 -3.902 -0.964 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.360 -4.775 0.157 1.00 0.00 C ATOM 0 H ILE A 48 -3.859 -7.507 0.787 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.879 -6.332 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.921 -5.367 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.057 -5.798 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.794 -4.067 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.501 -3.040 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.666 -4.001 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.428 -3.763 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.124 -4.624 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.331 -3.909 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.598 -5.666 -0.423 1.00 0.00 H new ATOM 763 N MET A 49 -1.567 -6.764 -1.588 1.00 0.00 N ATOM 764 CA MET A 49 -0.398 -6.825 -2.451 1.00 0.00 C ATOM 765 C MET A 49 -0.539 -7.968 -3.459 1.00 0.00 C ATOM 766 O MET A 49 -0.442 -7.710 -4.650 1.00 0.00 O ATOM 767 CB MET A 49 0.874 -6.925 -1.594 1.00 0.00 C ATOM 768 CG MET A 49 1.297 -5.554 -1.041 1.00 0.00 C ATOM 769 SD MET A 49 0.110 -4.676 0.019 1.00 0.00 S ATOM 770 CE MET A 49 0.836 -3.018 0.011 1.00 0.00 C ATOM 0 H MET A 49 -1.351 -6.892 -0.599 1.00 0.00 H new ATOM 0 HA MET A 49 -0.317 -5.909 -3.037 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.702 -7.614 -0.767 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.684 -7.342 -2.193 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.218 -5.689 -0.474 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.535 -4.909 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.133 -2.311 0.450 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.758 -3.022 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.056 -2.722 -1.015 1.00 0.00 H new ATOM 780 N ARG A 50 -0.816 -9.218 -3.056 1.00 0.00 N ATOM 781 CA ARG A 50 -0.860 -10.326 -4.030 1.00 0.00 C ATOM 782 C ARG A 50 -1.900 -10.027 -5.111 1.00 0.00 C ATOM 783 O ARG A 50 -1.671 -10.317 -6.283 1.00 0.00 O ATOM 784 CB ARG A 50 -1.137 -11.663 -3.313 1.00 0.00 C ATOM 785 CG ARG A 50 -0.724 -12.956 -4.058 1.00 0.00 C ATOM 786 CD ARG A 50 -1.694 -13.551 -5.101 1.00 0.00 C ATOM 787 NE ARG A 50 -1.463 -13.040 -6.465 1.00 0.00 N ATOM 788 CZ ARG A 50 -1.307 -13.712 -7.615 1.00 0.00 C ATOM 789 NH1 ARG A 50 -1.305 -15.045 -7.652 1.00 0.00 N ATOM 790 NH2 ARG A 50 -1.153 -13.021 -8.742 1.00 0.00 N ATOM 0 H ARG A 50 -1.008 -9.485 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 50 0.110 -10.419 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.622 -11.646 -2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.205 -11.720 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.223 -12.760 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.533 -13.723 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.593 -14.636 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.719 -13.327 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.415 -12.024 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.424 -15.579 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.184 -15.530 -8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.155 -12.001 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.033 -13.511 -9.628 1.00 0.00 H new ATOM 804 N SER A 51 -3.043 -9.479 -4.714 1.00 0.00 N ATOM 805 CA SER A 51 -4.165 -9.228 -5.598 1.00 0.00 C ATOM 806 C SER A 51 -3.987 -7.974 -6.460 1.00 0.00 C ATOM 807 O SER A 51 -4.527 -7.961 -7.562 1.00 0.00 O ATOM 808 CB SER A 51 -5.395 -9.061 -4.700 1.00 0.00 C ATOM 809 OG SER A 51 -6.645 -9.176 -5.354 1.00 0.00 O ATOM 0 H SER A 51 -3.214 -9.193 -3.750 1.00 0.00 H new ATOM 0 HA SER A 51 -4.261 -10.060 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.349 -9.808 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.344 -8.083 -4.221 1.00 0.00 H new ATOM 0 HG SER A 51 -7.011 -8.282 -5.519 1.00 0.00 H new ATOM 815 N PHE A 52 -3.262 -6.945 -6.003 1.00 0.00 N ATOM 816 CA PHE A 52 -3.173 -5.666 -6.703 1.00 0.00 C ATOM 817 C PHE A 52 -1.795 -4.987 -6.564 1.00 0.00 C ATOM 818 O PHE A 52 -1.741 -3.760 -6.552 1.00 0.00 O ATOM 819 CB PHE A 52 -4.257 -4.728 -6.106 1.00 0.00 C ATOM 820 CG PHE A 52 -5.623 -5.299 -5.746 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.488 -5.788 -6.744 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.066 -5.256 -4.408 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.778 -6.233 -6.405 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.362 -5.684 -4.071 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.221 -6.170 -5.072 1.00 0.00 C ATOM 0 H PHE A 52 -2.723 -6.980 -5.138 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.323 -5.854 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.841 -4.280 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.418 -3.919 -6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.160 -5.821 -7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.404 -4.891 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.431 -6.625 -7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.697 -5.640 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.219 -6.494 -4.818 1.00 0.00 H new ATOM 835 N LEU A 53 -0.663 -5.700 -6.595 1.00 0.00 N ATOM 836 CA LEU A 53 0.644 -5.082 -6.313 1.00 0.00 C ATOM 837 C LEU A 53 0.980 -3.920 -7.242 1.00 0.00 C ATOM 838 O LEU A 53 1.182 -2.815 -6.744 1.00 0.00 O ATOM 839 CB LEU A 53 1.779 -6.119 -6.329 1.00 0.00 C ATOM 840 CG LEU A 53 3.166 -5.541 -5.974 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.200 -4.772 -4.645 1.00 0.00 C ATOM 842 CD2 LEU A 53 4.121 -6.728 -5.855 1.00 0.00 C ATOM 0 H LEU A 53 -0.622 -6.696 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 53 0.556 -4.670 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.538 -6.916 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.829 -6.572 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 53 3.441 -4.830 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.208 -4.398 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.505 -3.934 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.911 -5.438 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.119 -6.368 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.770 -7.400 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.156 -7.263 -6.804 1.00 0.00 H new ATOM 854 N ARG A 54 1.032 -4.119 -8.565 1.00 0.00 N ATOM 855 CA ARG A 54 1.359 -2.997 -9.448 1.00 0.00 C ATOM 856 C ARG A 54 0.334 -1.866 -9.350 1.00 0.00 C ATOM 857 O ARG A 54 0.687 -0.734 -9.668 1.00 0.00 O ATOM 858 CB ARG A 54 1.627 -3.454 -10.888 1.00 0.00 C ATOM 859 CG ARG A 54 2.316 -2.341 -11.712 1.00 0.00 C ATOM 860 CD ARG A 54 3.205 -2.862 -12.851 1.00 0.00 C ATOM 861 NE ARG A 54 4.492 -3.367 -12.343 1.00 0.00 N ATOM 862 CZ ARG A 54 5.466 -3.974 -13.028 1.00 0.00 C ATOM 863 NH1 ARG A 54 5.339 -4.216 -14.333 1.00 0.00 N ATOM 864 NH2 ARG A 54 6.567 -4.341 -12.386 1.00 0.00 N ATOM 0 H ARG A 54 0.859 -5.009 -9.032 1.00 0.00 H new ATOM 0 HA ARG A 54 2.298 -2.573 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.256 -4.344 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.687 -3.733 -11.364 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.551 -1.689 -12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.922 -1.731 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.686 -3.658 -13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.385 -2.062 -13.569 1.00 0.00 H new ATOM 0 HE ARG A 54 4.661 -3.238 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.489 -3.937 -14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.092 -4.680 -14.841 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.659 -4.159 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.321 -4.806 -12.892 1.00 0.00 H new ATOM 878 N ARG A 55 -0.916 -2.114 -8.917 1.00 0.00 N ATOM 879 CA ARG A 55 -1.831 -1.018 -8.690 1.00 0.00 C ATOM 880 C ARG A 55 -1.240 -0.230 -7.507 1.00 0.00 C ATOM 881 O ARG A 55 -1.013 0.964 -7.642 1.00 0.00 O ATOM 882 CB ARG A 55 -3.275 -1.468 -8.379 1.00 0.00 C ATOM 883 CG ARG A 55 -4.239 -1.873 -9.518 1.00 0.00 C ATOM 884 CD ARG A 55 -4.817 -0.775 -10.450 1.00 0.00 C ATOM 885 NE ARG A 55 -6.182 -0.311 -10.077 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.802 0.826 -10.469 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.212 1.673 -11.308 1.00 0.00 N ATOM 888 NH2 ARG A 55 -8.010 1.145 -10.004 1.00 0.00 N ATOM 0 H ARG A 55 -1.293 -3.042 -8.726 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.922 -0.419 -9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.207 -2.318 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.752 -0.657 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.718 -2.595 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.082 -2.394 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.142 0.081 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.842 -1.157 -11.470 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.711 -0.921 -9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.279 1.470 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.693 2.526 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.481 0.528 -9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.463 2.006 -10.310 1.00 0.00 H new ATOM 902 N ILE A 56 -0.935 -0.871 -6.372 1.00 0.00 N ATOM 903 CA ILE A 56 -0.428 -0.143 -5.204 1.00 0.00 C ATOM 904 C ILE A 56 0.858 0.622 -5.561 1.00 0.00 C ATOM 905 O ILE A 56 1.081 1.705 -5.031 1.00 0.00 O ATOM 906 CB ILE A 56 -0.265 -1.032 -3.953 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.472 -1.961 -3.701 1.00 0.00 C ATOM 908 CG2 ILE A 56 -0.051 -0.158 -2.699 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.865 -1.346 -3.902 1.00 0.00 C ATOM 0 H ILE A 56 -1.029 -1.878 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.187 0.589 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 56 0.605 -1.660 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.382 -2.824 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.408 -2.334 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.062 -0.798 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.847 0.446 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.912 0.496 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.628 -2.097 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.992 -0.503 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.965 -1.001 -4.931 1.00 0.00 H new ATOM 921 N SER A 57 1.644 0.131 -6.521 1.00 0.00 N ATOM 922 CA SER A 57 2.810 0.841 -7.012 1.00 0.00 C ATOM 923 C SER A 57 2.369 2.095 -7.780 1.00 0.00 C ATOM 924 O SER A 57 2.694 3.191 -7.329 1.00 0.00 O ATOM 925 CB SER A 57 3.642 -0.119 -7.857 1.00 0.00 C ATOM 926 OG SER A 57 4.862 0.466 -8.213 1.00 0.00 O ATOM 0 H SER A 57 1.484 -0.769 -6.974 1.00 0.00 H new ATOM 0 HA SER A 57 3.437 1.188 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.823 -1.038 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.089 -0.394 -8.755 1.00 0.00 H new ATOM 0 HG SER A 57 5.119 0.166 -9.110 1.00 0.00 H new ATOM 932 N TRP A 58 1.561 1.976 -8.850 1.00 0.00 N ATOM 933 CA TRP A 58 0.979 3.113 -9.587 1.00 0.00 C ATOM 934 C TRP A 58 0.448 4.157 -8.608 1.00 0.00 C ATOM 935 O TRP A 58 0.690 5.351 -8.768 1.00 0.00 O ATOM 936 CB TRP A 58 -0.133 2.661 -10.567 1.00 0.00 C ATOM 937 CG TRP A 58 -1.382 3.515 -10.625 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.486 4.761 -11.141 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.690 3.256 -10.032 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.757 5.264 -10.923 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.539 4.384 -10.203 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.234 2.186 -9.312 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.842 4.424 -9.661 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.504 2.211 -8.750 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.315 3.332 -8.903 1.00 0.00 C ATOM 0 H TRP A 58 1.290 1.071 -9.233 1.00 0.00 H new ATOM 0 HA TRP A 58 1.771 3.560 -10.188 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.295 2.617 -11.569 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.428 1.646 -10.301 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.692 5.287 -11.650 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.077 6.174 -11.254 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.636 1.296 -9.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.473 5.285 -9.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.863 1.358 -8.193 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.294 3.365 -8.447 1.00 0.00 H new ATOM 956 N ASP A 59 -0.321 3.701 -7.625 1.00 0.00 N ATOM 957 CA ASP A 59 -0.902 4.516 -6.583 1.00 0.00 C ATOM 958 C ASP A 59 0.135 5.398 -5.901 1.00 0.00 C ATOM 959 O ASP A 59 -0.058 6.614 -5.874 1.00 0.00 O ATOM 960 CB ASP A 59 -1.620 3.626 -5.567 1.00 0.00 C ATOM 961 CG ASP A 59 -2.967 3.161 -6.078 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.284 1.955 -5.977 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.844 4.043 -6.614 1.00 0.00 O ATOM 0 H ASP A 59 -0.561 2.714 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.627 5.186 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.999 2.760 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.755 4.175 -4.635 1.00 0.00 H new ATOM 969 N ILE A 60 1.169 4.810 -5.282 1.00 0.00 N ATOM 970 CA ILE A 60 2.183 5.604 -4.599 1.00 0.00 C ATOM 971 C ILE A 60 2.882 6.512 -5.627 1.00 0.00 C ATOM 972 O ILE A 60 3.079 7.692 -5.362 1.00 0.00 O ATOM 973 CB ILE A 60 3.196 4.764 -3.793 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.606 3.683 -2.860 1.00 0.00 C ATOM 975 CG2 ILE A 60 3.952 5.741 -2.869 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.247 3.946 -2.206 1.00 0.00 C ATOM 0 H ILE A 60 1.319 3.802 -5.244 1.00 0.00 H new ATOM 0 HA ILE A 60 1.677 6.213 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 60 3.796 4.241 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.525 2.759 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.328 3.502 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.683 5.190 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.465 6.490 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.244 6.235 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.972 3.095 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.307 4.843 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.492 4.088 -2.980 1.00 0.00 H new ATOM 988 N LEU A 61 3.256 5.965 -6.792 1.00 0.00 N ATOM 989 CA LEU A 61 4.028 6.655 -7.832 1.00 0.00 C ATOM 990 C LEU A 61 3.297 7.887 -8.376 1.00 0.00 C ATOM 991 O LEU A 61 3.937 8.877 -8.708 1.00 0.00 O ATOM 992 CB LEU A 61 4.348 5.696 -8.997 1.00 0.00 C ATOM 993 CG LEU A 61 5.295 4.527 -8.653 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.242 3.471 -9.764 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.752 4.952 -8.482 1.00 0.00 C ATOM 0 H LEU A 61 3.023 5.004 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 61 4.954 6.990 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.412 5.284 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.791 6.273 -9.809 1.00 0.00 H new ATOM 0 HG LEU A 61 4.946 4.131 -7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.912 2.648 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.224 3.094 -9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.552 3.920 -10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.360 4.080 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.111 5.400 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.826 5.680 -7.674 1.00 0.00 H new ATOM 1007 N THR A 62 1.965 7.855 -8.463 1.00 0.00 N ATOM 1008 CA THR A 62 1.146 9.006 -8.860 1.00 0.00 C ATOM 1009 C THR A 62 0.795 9.891 -7.650 1.00 0.00 C ATOM 1010 O THR A 62 -0.139 10.691 -7.713 1.00 0.00 O ATOM 1011 CB THR A 62 -0.089 8.541 -9.664 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.851 7.529 -9.021 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.328 8.004 -11.038 1.00 0.00 C ATOM 0 H THR A 62 1.417 7.020 -8.258 1.00 0.00 H new ATOM 0 HA THR A 62 1.729 9.641 -9.527 1.00 0.00 H new ATOM 0 HB THR A 62 -0.713 9.430 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.388 6.669 -9.103 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.557 7.682 -11.587 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.836 8.790 -11.597 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.002 7.157 -10.908 1.00 0.00 H new ATOM 1021 N GLY A 63 1.515 9.718 -6.537 1.00 0.00 N ATOM 1022 CA GLY A 63 1.324 10.324 -5.232 1.00 0.00 C ATOM 1023 C GLY A 63 -0.145 10.428 -4.858 1.00 0.00 C ATOM 1024 O GLY A 63 -0.557 11.416 -4.242 1.00 0.00 O ATOM 0 H GLY A 63 2.319 9.090 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.848 9.735 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.770 11.318 -5.226 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.919 9.348 -5.011 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.352 9.451 -4.788 1.00 0.00 C ATOM 1030 C LYS A 64 -2.536 9.186 -3.306 1.00 0.00 C ATOM 1031 O LYS A 64 -1.753 8.479 -2.670 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.068 8.432 -5.693 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.594 8.621 -5.715 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.319 7.708 -6.721 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.954 8.028 -8.184 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.134 7.988 -9.083 1.00 0.00 N ATOM 0 H LYS A 64 -0.585 8.423 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.779 10.422 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.681 8.520 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.837 7.423 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.989 8.431 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.819 9.660 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.070 6.669 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.396 7.811 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.496 9.016 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.209 7.313 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.835 8.193 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.567 7.043 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.828 8.700 -8.777 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.478 9.890 -2.686 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.641 9.745 -1.240 1.00 0.00 C ATOM 1052 C LYS A 65 -4.258 8.382 -0.919 1.00 0.00 C ATOM 1053 O LYS A 65 -5.082 7.905 -1.695 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.335 10.991 -0.666 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.400 12.209 -0.420 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.008 12.278 -1.102 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.929 11.450 -0.369 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.126 10.561 -1.243 1.00 0.00 N ATOM 0 H LYS A 65 -4.118 10.543 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.685 9.721 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.129 11.293 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.811 10.721 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.949 13.102 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.236 12.278 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.095 11.921 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.686 13.318 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.255 12.134 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.414 10.843 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.332 9.827 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.747 10.111 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.601 11.120 -1.733 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.090 7.860 0.302 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.508 6.513 0.685 1.00 0.00 C ATOM 1074 C PRO A 66 -6.012 6.314 0.631 1.00 0.00 C ATOM 1075 O PRO A 66 -6.488 5.345 0.047 1.00 0.00 O ATOM 1076 CB PRO A 66 -3.929 6.285 2.083 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.651 7.689 2.603 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.271 8.436 1.343 1.00 0.00 C ATOM 0 HA PRO A 66 -4.133 5.775 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.633 5.754 2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.019 5.686 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.527 8.124 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.846 7.697 3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.459 9.505 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.210 8.319 1.120 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.774 7.215 1.246 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.222 7.092 1.268 1.00 0.00 C ATOM 1088 C GLN A 67 -8.798 7.127 -0.155 1.00 0.00 C ATOM 1089 O GLN A 67 -9.758 6.413 -0.433 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.783 8.171 2.202 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.193 7.835 2.705 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.548 8.675 3.931 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.811 8.688 4.917 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.659 9.392 3.898 1.00 0.00 N ATOM 0 H GLN A 67 -6.411 8.034 1.733 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.527 6.124 1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.115 8.292 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.806 9.126 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.919 8.016 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.252 6.776 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.257 9.368 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.918 9.969 4.699 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.168 7.876 -1.070 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.596 7.957 -2.459 1.00 0.00 C ATOM 1105 C ALA A 68 -8.135 6.717 -3.228 1.00 0.00 C ATOM 1106 O ALA A 68 -8.878 6.240 -4.077 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.029 9.227 -3.104 1.00 0.00 C ATOM 0 H ALA A 68 -7.346 8.442 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.685 7.999 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.352 9.283 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.391 10.102 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.940 9.201 -3.064 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.958 6.162 -2.915 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.483 4.908 -3.500 1.00 0.00 C ATOM 1115 C ILE A 69 -7.532 3.815 -3.260 1.00 0.00 C ATOM 1116 O ILE A 69 -7.940 3.138 -4.198 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.093 4.540 -2.924 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.010 5.489 -3.472 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.747 3.075 -3.239 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.723 5.479 -2.641 1.00 0.00 C ATOM 0 H ILE A 69 -6.308 6.574 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.354 5.016 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.128 4.655 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.774 5.207 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.407 6.504 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.767 2.836 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.497 2.420 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.731 2.929 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.001 6.168 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.947 5.789 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.304 4.473 -2.631 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.976 3.653 -2.014 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.999 2.692 -1.622 1.00 0.00 C ATOM 1134 C CYS A 70 -10.310 2.916 -2.383 1.00 0.00 C ATOM 1135 O CYS A 70 -10.993 1.932 -2.649 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.183 2.752 -0.104 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.639 2.446 0.798 1.00 0.00 S ATOM 0 H CYS A 70 -7.623 4.203 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.673 1.687 -1.891 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.573 3.731 0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.928 2.015 0.197 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.737 4.156 -2.647 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.918 4.381 -3.489 1.00 0.00 C ATOM 1144 C VAL A 71 -11.617 3.872 -4.912 1.00 0.00 C ATOM 1145 O VAL A 71 -12.347 3.019 -5.404 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.329 5.875 -3.461 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.463 6.203 -4.442 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.801 6.314 -2.064 1.00 0.00 C ATOM 0 H VAL A 71 -10.292 5.005 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.771 3.823 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.426 6.413 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.706 7.264 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.146 5.966 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.344 5.613 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.080 7.368 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.664 5.717 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.995 6.169 -1.345 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.500 4.292 -5.515 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.101 4.016 -6.905 1.00 0.00 C ATOM 1160 C ASP A 72 -10.046 2.514 -7.200 1.00 0.00 C ATOM 1161 O ASP A 72 -10.565 2.034 -8.206 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.751 4.703 -7.174 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.328 4.792 -8.646 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.392 3.784 -9.387 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.757 5.855 -8.989 1.00 0.00 O ATOM 0 H ASP A 72 -9.812 4.863 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.854 4.422 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.791 5.713 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.977 4.167 -6.625 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.389 1.742 -6.330 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.239 0.297 -6.524 1.00 0.00 C ATOM 1172 C ILE A 73 -10.439 -0.507 -5.992 1.00 0.00 C ATOM 1173 O ILE A 73 -10.415 -1.735 -6.054 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.886 -0.184 -5.991 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.851 -0.153 -4.456 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.766 0.655 -6.633 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.431 -0.209 -3.915 1.00 0.00 C ATOM 0 H ILE A 73 -8.950 2.096 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.241 0.103 -7.597 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.728 -1.226 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.338 0.755 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.421 -0.995 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.799 0.319 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.797 0.536 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.908 1.706 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.455 -0.185 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.951 -1.130 -4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.867 0.647 -4.284 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.458 0.183 -5.472 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.760 -0.311 -5.025 1.00 0.00 C ATOM 1191 C LYS A 74 -12.670 -1.145 -3.748 1.00 0.00 C ATOM 1192 O LYS A 74 -12.873 -2.359 -3.737 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.468 -1.025 -6.191 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.964 -1.205 -5.906 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.507 -2.487 -6.548 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.957 -2.844 -6.187 1.00 0.00 C ATOM 1197 NZ LYS A 74 -17.955 -1.915 -6.755 1.00 0.00 N ATOM 0 H LYS A 74 -11.384 1.192 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.379 0.539 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.337 -0.449 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.007 -1.999 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.129 -1.238 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.514 -0.345 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.434 -2.389 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.864 -3.318 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.172 -3.853 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.060 -2.855 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.803 -1.905 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.552 -0.958 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.214 -2.227 -7.713 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.359 -0.468 -2.645 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.212 -1.031 -1.303 1.00 0.00 C ATOM 1213 C ILE A 75 -12.861 -0.107 -0.251 1.00 0.00 C ATOM 1214 O ILE A 75 -13.184 -0.556 0.852 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.701 -1.276 -1.034 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -10.098 -2.268 -2.056 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.437 -1.804 0.386 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.606 -2.524 -1.839 1.00 0.00 C ATOM 0 H ILE A 75 -12.194 0.538 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.733 -1.985 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.219 -0.304 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.635 -3.214 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.251 -1.880 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.367 -1.959 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.796 -1.079 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.961 -2.749 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.245 -3.228 -2.589 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.059 -1.586 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.449 -2.941 -0.844 1.00 0.00 H new ATOM 1230 N CYS A 76 -13.024 1.189 -0.542 1.00 0.00 N ATOM 1231 CA CYS A 76 -13.584 2.149 0.403 1.00 0.00 C ATOM 1232 C CYS A 76 -15.122 2.173 0.319 1.00 0.00 C ATOM 1233 O CYS A 76 -15.763 1.187 -0.034 1.00 0.00 O ATOM 1234 CB CYS A 76 -12.946 3.530 0.170 1.00 0.00 C ATOM 1235 SG CYS A 76 -13.120 4.730 1.531 1.00 0.00 S ATOM 0 H CYS A 76 -12.770 1.597 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 76 -13.345 1.845 1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.884 3.389 -0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -13.384 3.964 -0.729 1.00 0.00 H new ATOM 1240 N LYS A 77 -15.726 3.270 0.777 1.00 0.00 N ATOM 1241 CA LYS A 77 -17.137 3.586 0.680 1.00 0.00 C ATOM 1242 C LYS A 77 -17.153 4.312 -0.654 1.00 0.00 C ATOM 1243 O LYS A 77 -16.916 5.518 -0.659 1.00 0.00 O ATOM 1244 CB LYS A 77 -17.633 4.468 1.851 1.00 0.00 C ATOM 1245 CG LYS A 77 -19.165 4.688 1.907 1.00 0.00 C ATOM 1246 CD LYS A 77 -19.861 5.282 0.665 1.00 0.00 C ATOM 1247 CE LYS A 77 -19.433 6.721 0.309 1.00 0.00 C ATOM 1248 NZ LYS A 77 -19.572 7.006 -1.138 1.00 0.00 N ATOM 0 H LYS A 77 -15.202 4.003 1.255 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.803 2.725 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.313 4.013 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.144 5.440 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.632 3.727 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.377 5.342 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.660 4.636 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.939 5.269 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.038 7.429 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.397 6.875 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.636 7.210 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.984 6.180 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.194 7.829 -1.272 1.00 0.00 H new ATOM 1262 N GLU A 78 -17.182 3.536 -1.732 1.00 0.00 N ATOM 1263 CA GLU A 78 -17.336 4.014 -3.102 1.00 0.00 C ATOM 1264 C GLU A 78 -18.393 5.112 -3.086 1.00 0.00 C ATOM 1265 O GLU A 78 -19.524 4.819 -2.636 1.00 0.00 O ATOM 1266 CB GLU A 78 -17.791 2.855 -4.006 1.00 0.00 C ATOM 1267 CG GLU A 78 -16.845 1.648 -4.105 1.00 0.00 C ATOM 1268 CD GLU A 78 -17.537 0.511 -4.854 1.00 0.00 C ATOM 1269 OE1 GLU A 78 -17.828 0.656 -6.062 1.00 0.00 O ATOM 1270 OE2 GLU A 78 -17.693 -0.597 -4.293 1.00 0.00 O ATOM 1271 OXT GLU A 78 -18.033 6.296 -3.242 1.00 0.00 O ATOM 0 H GLU A 78 -17.096 2.521 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.392 4.399 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -18.758 2.502 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.948 3.248 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.929 1.933 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.557 1.317 -3.107 1.00 0.00 H new TER 1278 GLU A 78