USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 897 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 54 ASN : amide:sc= 0.0313 X(o=-1.3,f=-0.96) USER MOD Set 1.2: A 64 TYR OH : rot 4:sc= -1.3 USER MOD Set 1.3: A 70 LYS NZ :NH3+ -109:sc= 0.011 (180deg=0) USER MOD Set 2.1: A 38 THR OG1 : rot -170:sc= -0.372 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.0159 X(o=-0.39,f=-0.47) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0464) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 6 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.86) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.366 USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.636 (180deg=-2.25!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= 0.501 (180deg=0.137) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -85:sc= 0.344 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 0.721 (180deg=0.245) USER MOD Single : A 44 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 48 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 49 THR OG1 : rot -61:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ -106:sc= -0.0322 (180deg=-0.35) USER MOD Single : A 58 ASN :FLIP amide:sc= -2.14! C(o=-3.5!,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= -1.8! (180deg=-2.06!) USER MOD Single : A 71 ASN : amide:sc= -0.0502 K(o=-0.05,f=-1.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 THR OG1 : rot -31:sc= 0.126 USER MOD Single : A 77 SER OG : rot 80:sc= 0.137 USER MOD Single : A 81 LYS NZ :NH3+ -128:sc= 0.915 (180deg=0.167) USER MOD Single : A 86 SER OG : rot 86:sc= 0.685 USER MOD Single : A 87 SER OG : rot 66:sc= 1.17 USER MOD Single : A 90 MET CE :methyl -132:sc= -2.03! (180deg=-3.19!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -177:sc= -0.473 (180deg=-0.488) USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0.447 (180deg=0.437) USER MOD Single : A 104 THR OG1 : rot 148:sc= -0.0721 USER MOD Single : A 108 LYS NZ :NH3+ -170:sc=-0.00161 (180deg=-0.104) USER MOD Single : A 111 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.022) USER MOD Single : A 112 TYR OH : rot 74:sc= 0.781 USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= 0.66 (180deg=0.468) USER MOD Single : A 115 THR OG1 : rot 82:sc= 0.596 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 3.924 -1.611 -2.380 1.00 0.00 N ATOM 19 CA ILE A 2 5.143 -2.421 -2.555 1.00 0.00 C ATOM 20 C ILE A 2 6.089 -2.251 -1.348 1.00 0.00 C ATOM 21 O ILE A 2 6.631 -1.173 -1.135 1.00 0.00 O ATOM 22 CB ILE A 2 5.898 -2.018 -3.882 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.955 -2.181 -5.119 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.215 -2.827 -4.064 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.521 -1.645 -6.425 1.00 0.00 C ATOM 0 HA ILE A 2 4.841 -3.466 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 2 6.179 -0.968 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.724 -3.239 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.014 -1.672 -4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.705 -2.521 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.879 -2.636 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.985 -3.891 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.798 -1.801 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.725 -0.579 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.446 -2.170 -6.663 1.00 0.00 H new ATOM 37 N LYS A 3 6.240 -3.321 -0.560 1.00 0.00 N ATOM 38 CA LYS A 3 7.182 -3.360 0.579 1.00 0.00 C ATOM 39 C LYS A 3 8.629 -3.415 0.050 1.00 0.00 C ATOM 40 O LYS A 3 9.183 -4.497 -0.188 1.00 0.00 O ATOM 41 CB LYS A 3 6.889 -4.591 1.477 1.00 0.00 C ATOM 42 CG LYS A 3 5.410 -4.777 1.841 1.00 0.00 C ATOM 43 CD LYS A 3 4.857 -3.668 2.757 1.00 0.00 C ATOM 44 CE LYS A 3 3.357 -3.840 3.042 1.00 0.00 C ATOM 45 NZ LYS A 3 3.042 -5.125 3.712 1.00 0.00 N ATOM 0 H LYS A 3 5.716 -4.187 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 3 7.056 -2.459 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.240 -5.488 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.467 -4.500 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.820 -4.808 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.284 -5.741 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.406 -3.671 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.027 -2.697 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.014 -3.016 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.805 -3.780 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.035 -5.144 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.248 -5.913 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.622 -5.220 4.570 1.00 0.00 H new ATOM 59 N PHE A 4 9.201 -2.235 -0.181 1.00 0.00 N ATOM 60 CA PHE A 4 10.573 -2.085 -0.683 1.00 0.00 C ATOM 61 C PHE A 4 11.560 -2.140 0.495 1.00 0.00 C ATOM 62 O PHE A 4 11.784 -1.141 1.190 1.00 0.00 O ATOM 63 CB PHE A 4 10.701 -0.763 -1.501 1.00 0.00 C ATOM 64 CG PHE A 4 12.130 -0.411 -1.928 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.882 -1.290 -2.709 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.729 0.784 -1.524 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.177 -0.980 -3.076 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.023 1.089 -1.891 1.00 0.00 C ATOM 69 CZ PHE A 4 14.748 0.208 -2.666 1.00 0.00 C ATOM 0 H PHE A 4 8.725 -1.347 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 4 10.816 -2.906 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.079 -0.841 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.302 0.058 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.446 -2.224 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.171 1.480 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.744 -1.669 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.469 2.019 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.762 0.447 -2.952 1.00 0.00 H new ATOM 79 N TYR A 5 12.115 -3.334 0.737 1.00 0.00 N ATOM 80 CA TYR A 5 13.119 -3.540 1.782 1.00 0.00 C ATOM 81 C TYR A 5 14.497 -3.098 1.279 1.00 0.00 C ATOM 82 O TYR A 5 14.882 -3.378 0.134 1.00 0.00 O ATOM 83 CB TYR A 5 13.133 -5.006 2.250 1.00 0.00 C ATOM 84 CG TYR A 5 11.891 -5.386 3.066 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.733 -5.853 2.448 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.878 -5.269 4.460 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.616 -6.189 3.175 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.757 -5.603 5.193 1.00 0.00 C ATOM 89 CZ TYR A 5 9.630 -6.066 4.542 1.00 0.00 C ATOM 90 OH TYR A 5 8.506 -6.408 5.264 1.00 0.00 O ATOM 0 H TYR A 5 11.881 -4.179 0.216 1.00 0.00 H new ATOM 0 HA TYR A 5 12.859 -2.928 2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.203 -5.659 1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.024 -5.181 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.713 -5.953 1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.760 -4.911 4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.730 -6.549 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.761 -5.503 6.268 1.00 0.00 H new ATOM 0 HH TYR A 5 8.675 -6.266 6.219 1.00 0.00 H new ATOM 100 N GLN A 6 15.222 -2.392 2.153 1.00 0.00 N ATOM 101 CA GLN A 6 16.530 -1.807 1.838 1.00 0.00 C ATOM 102 C GLN A 6 17.311 -1.559 3.132 1.00 0.00 C ATOM 103 O GLN A 6 16.813 -1.851 4.207 1.00 0.00 O ATOM 104 CB GLN A 6 16.322 -0.505 1.005 1.00 0.00 C ATOM 105 CG GLN A 6 15.245 0.486 1.544 1.00 0.00 C ATOM 106 CD GLN A 6 15.616 1.256 2.825 1.00 0.00 C ATOM 107 OE1 GLN A 6 14.756 1.557 3.653 1.00 0.00 O ATOM 108 NE2 GLN A 6 16.887 1.615 2.980 1.00 0.00 N ATOM 0 H GLN A 6 14.915 -2.209 3.108 1.00 0.00 H new ATOM 0 HA GLN A 6 17.122 -2.494 1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.275 0.021 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.051 -0.787 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.022 1.210 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.328 -0.072 1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.580 1.353 2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.169 2.153 3.800 1.00 0.00 H new ATOM 117 N TYR A 7 18.533 -1.022 3.022 1.00 0.00 N ATOM 118 CA TYR A 7 19.324 -0.590 4.196 1.00 0.00 C ATOM 119 C TYR A 7 20.508 0.276 3.736 1.00 0.00 C ATOM 120 O TYR A 7 20.886 0.230 2.555 1.00 0.00 O ATOM 121 CB TYR A 7 19.808 -1.818 5.036 1.00 0.00 C ATOM 122 CG TYR A 7 20.343 -1.460 6.437 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.525 -0.817 7.376 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.650 -1.766 6.824 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.997 -0.484 8.637 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.124 -1.437 8.082 1.00 0.00 C ATOM 127 CZ TYR A 7 21.297 -0.799 8.987 1.00 0.00 C ATOM 128 OH TYR A 7 21.771 -0.477 10.246 1.00 0.00 O ATOM 0 H TYR A 7 19.003 -0.873 2.129 1.00 0.00 H new ATOM 0 HA TYR A 7 18.687 0.010 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.979 -2.518 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.592 -2.335 4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.506 -0.576 7.112 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.304 -2.270 6.127 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.352 0.019 9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.140 -1.679 8.356 1.00 0.00 H new ATOM 0 HH TYR A 7 22.703 -0.769 10.329 1.00 0.00 H new ATOM 213 N CYS A 13 19.572 0.812 -2.230 1.00 0.00 N ATOM 214 CA CYS A 13 18.429 1.544 -1.645 1.00 0.00 C ATOM 215 C CYS A 13 18.100 2.823 -2.447 1.00 0.00 C ATOM 216 O CYS A 13 16.964 3.008 -2.878 1.00 0.00 O ATOM 217 CB CYS A 13 18.747 1.899 -0.175 1.00 0.00 C ATOM 218 SG CYS A 13 20.288 2.805 0.032 1.00 0.00 S ATOM 0 HA CYS A 13 17.551 0.900 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.929 2.493 0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 13 18.794 0.980 0.410 1.00 0.00 H new ATOM 0 HG CYS A 13 20.474 3.062 1.293 1.00 0.00 H new ATOM 224 N LYS A 14 19.134 3.645 -2.709 1.00 0.00 N ATOM 225 CA LYS A 14 19.002 4.904 -3.473 1.00 0.00 C ATOM 226 C LYS A 14 18.563 4.636 -4.920 1.00 0.00 C ATOM 227 O LYS A 14 17.578 5.202 -5.381 1.00 0.00 O ATOM 228 CB LYS A 14 20.344 5.688 -3.488 1.00 0.00 C ATOM 229 CG LYS A 14 20.872 6.104 -2.101 1.00 0.00 C ATOM 230 CD LYS A 14 19.943 7.071 -1.309 1.00 0.00 C ATOM 231 CE LYS A 14 19.993 8.542 -1.791 1.00 0.00 C ATOM 232 NZ LYS A 14 19.473 8.737 -3.167 1.00 0.00 N ATOM 0 H LYS A 14 20.087 3.456 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 14 18.238 5.501 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.100 5.075 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.217 6.584 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.031 5.206 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.845 6.579 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.917 6.712 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.217 7.037 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.416 9.160 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.024 8.894 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.973 9.647 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.265 8.735 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.816 7.966 -3.402 1.00 0.00 H new ATOM 246 N LYS A 15 19.294 3.739 -5.600 1.00 0.00 N ATOM 247 CA LYS A 15 19.146 3.480 -7.052 1.00 0.00 C ATOM 248 C LYS A 15 17.750 2.924 -7.405 1.00 0.00 C ATOM 249 O LYS A 15 17.075 3.413 -8.325 1.00 0.00 O ATOM 250 CB LYS A 15 20.252 2.491 -7.518 1.00 0.00 C ATOM 251 CG LYS A 15 21.724 2.940 -7.272 1.00 0.00 C ATOM 252 CD LYS A 15 22.217 4.103 -8.190 1.00 0.00 C ATOM 253 CE LYS A 15 21.812 5.514 -7.715 1.00 0.00 C ATOM 254 NZ LYS A 15 22.293 6.565 -8.648 1.00 0.00 N ATOM 0 H LYS A 15 20.013 3.165 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 15 19.254 4.431 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.095 1.538 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.123 2.310 -8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.825 3.249 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.380 2.081 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 15 23.304 4.056 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.825 3.946 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.727 5.572 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.220 5.695 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.003 7.500 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.330 6.525 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.883 6.406 -9.591 1.00 0.00 H new ATOM 268 N ALA A 16 17.336 1.909 -6.641 1.00 0.00 N ATOM 269 CA ALA A 16 16.048 1.230 -6.823 1.00 0.00 C ATOM 270 C ALA A 16 14.883 2.151 -6.420 1.00 0.00 C ATOM 271 O ALA A 16 13.864 2.207 -7.117 1.00 0.00 O ATOM 272 CB ALA A 16 16.030 -0.071 -6.019 1.00 0.00 C ATOM 0 H ALA A 16 17.890 1.532 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 16 15.922 0.986 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.071 -0.571 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.833 -0.723 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.173 0.153 -4.962 1.00 0.00 H new ATOM 278 N ALA A 17 15.060 2.902 -5.309 1.00 0.00 N ATOM 279 CA ALA A 17 14.063 3.898 -4.854 1.00 0.00 C ATOM 280 C ALA A 17 13.942 5.066 -5.844 1.00 0.00 C ATOM 281 O ALA A 17 12.883 5.659 -5.956 1.00 0.00 O ATOM 282 CB ALA A 17 14.400 4.444 -3.458 1.00 0.00 C ATOM 0 H ALA A 17 15.884 2.837 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 17 13.107 3.377 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.645 5.172 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.416 3.624 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.378 4.925 -3.482 1.00 0.00 H new ATOM 288 N LYS A 18 15.043 5.371 -6.558 1.00 0.00 N ATOM 289 CA LYS A 18 15.093 6.478 -7.537 1.00 0.00 C ATOM 290 C LYS A 18 14.290 6.077 -8.787 1.00 0.00 C ATOM 291 O LYS A 18 13.554 6.878 -9.329 1.00 0.00 O ATOM 292 CB LYS A 18 16.572 6.826 -7.914 1.00 0.00 C ATOM 293 CG LYS A 18 16.909 8.323 -8.188 1.00 0.00 C ATOM 294 CD LYS A 18 16.099 9.021 -9.326 1.00 0.00 C ATOM 295 CE LYS A 18 14.832 9.753 -8.826 1.00 0.00 C ATOM 296 NZ LYS A 18 14.091 10.424 -9.923 1.00 0.00 N ATOM 0 H LYS A 18 15.921 4.859 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 18 14.652 7.371 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.216 6.478 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.837 6.253 -8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.753 8.882 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 18 17.969 8.396 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.745 9.737 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.809 8.274 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.174 9.037 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.116 10.493 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.070 10.374 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.384 11.420 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.299 9.948 -10.824 1.00 0.00 H new ATOM 310 N PHE A 19 14.470 4.826 -9.219 1.00 0.00 N ATOM 311 CA PHE A 19 13.733 4.222 -10.351 1.00 0.00 C ATOM 312 C PHE A 19 12.208 4.225 -10.075 1.00 0.00 C ATOM 313 O PHE A 19 11.390 4.653 -10.917 1.00 0.00 O ATOM 314 CB PHE A 19 14.256 2.778 -10.576 1.00 0.00 C ATOM 315 CG PHE A 19 13.672 2.070 -11.796 1.00 0.00 C ATOM 316 CD1 PHE A 19 13.944 2.537 -13.081 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.868 0.941 -11.668 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.431 1.907 -14.191 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.356 0.309 -12.784 1.00 0.00 C ATOM 320 CZ PHE A 19 12.638 0.791 -14.043 1.00 0.00 C ATOM 0 H PHE A 19 15.141 4.188 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 19 13.901 4.810 -11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.341 2.811 -10.677 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.036 2.184 -9.689 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.569 3.409 -13.207 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.642 0.555 -10.685 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.650 2.287 -15.178 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.733 -0.566 -12.669 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.237 0.294 -14.914 1.00 0.00 H new ATOM 330 N LEU A 20 11.857 3.771 -8.863 1.00 0.00 N ATOM 331 CA LEU A 20 10.473 3.742 -8.367 1.00 0.00 C ATOM 332 C LEU A 20 9.918 5.177 -8.180 1.00 0.00 C ATOM 333 O LEU A 20 8.747 5.431 -8.444 1.00 0.00 O ATOM 334 CB LEU A 20 10.415 2.926 -7.046 1.00 0.00 C ATOM 335 CG LEU A 20 10.710 1.388 -7.178 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.919 0.728 -5.795 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.591 0.664 -7.968 1.00 0.00 C ATOM 0 H LEU A 20 12.534 3.409 -8.192 1.00 0.00 H new ATOM 0 HA LEU A 20 9.837 3.252 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.131 3.355 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.425 3.050 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 20 11.639 1.287 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.121 -0.335 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.764 1.198 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.020 0.855 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.826 -0.398 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.640 0.791 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.519 1.089 -8.969 1.00 0.00 H new ATOM 349 N ASP A 21 10.778 6.120 -7.755 1.00 0.00 N ATOM 350 CA ASP A 21 10.401 7.551 -7.595 1.00 0.00 C ATOM 351 C ASP A 21 10.216 8.222 -8.967 1.00 0.00 C ATOM 352 O ASP A 21 9.348 9.086 -9.136 1.00 0.00 O ATOM 353 CB ASP A 21 11.471 8.318 -6.767 1.00 0.00 C ATOM 354 CG ASP A 21 11.223 9.843 -6.681 1.00 0.00 C ATOM 355 OD1 ASP A 21 10.306 10.261 -5.941 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.931 10.629 -7.363 1.00 0.00 O ATOM 0 H ASP A 21 11.749 5.922 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 21 9.454 7.588 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.499 7.907 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.452 8.144 -7.209 1.00 0.00 H new ATOM 361 N GLU A 22 11.032 7.779 -9.935 1.00 0.00 N ATOM 362 CA GLU A 22 11.072 8.319 -11.303 1.00 0.00 C ATOM 363 C GLU A 22 9.714 8.099 -11.983 1.00 0.00 C ATOM 364 O GLU A 22 9.084 9.047 -12.465 1.00 0.00 O ATOM 365 CB GLU A 22 12.218 7.630 -12.100 1.00 0.00 C ATOM 366 CG GLU A 22 12.456 8.172 -13.527 1.00 0.00 C ATOM 367 CD GLU A 22 13.024 9.609 -13.562 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.985 9.901 -12.810 1.00 0.00 O ATOM 369 OE2 GLU A 22 12.540 10.441 -14.362 1.00 0.00 O ATOM 0 H GLU A 22 11.696 7.020 -9.786 1.00 0.00 H new ATOM 0 HA GLU A 22 11.270 9.391 -11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.143 7.732 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.000 6.564 -12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.144 7.507 -14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.514 8.150 -14.076 1.00 0.00 H new ATOM 376 N TYR A 23 9.249 6.835 -11.948 1.00 0.00 N ATOM 377 CA TYR A 23 7.919 6.444 -12.473 1.00 0.00 C ATOM 378 C TYR A 23 6.765 6.928 -11.558 1.00 0.00 C ATOM 379 O TYR A 23 5.617 7.034 -12.005 1.00 0.00 O ATOM 380 CB TYR A 23 7.869 4.906 -12.672 1.00 0.00 C ATOM 381 CG TYR A 23 8.577 4.416 -13.943 1.00 0.00 C ATOM 382 CD1 TYR A 23 9.971 4.419 -14.048 1.00 0.00 C ATOM 383 CD2 TYR A 23 7.844 3.948 -15.040 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.600 3.976 -15.197 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.471 3.504 -16.186 1.00 0.00 C ATOM 386 CZ TYR A 23 9.847 3.519 -16.262 1.00 0.00 C ATOM 387 OH TYR A 23 10.472 3.077 -17.412 1.00 0.00 O ATOM 0 H TYR A 23 9.780 6.056 -11.557 1.00 0.00 H new ATOM 0 HA TYR A 23 7.777 6.934 -13.436 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.323 4.423 -11.807 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.827 4.588 -12.704 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.566 4.773 -13.219 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.765 3.934 -14.988 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.678 3.987 -15.262 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.886 3.146 -17.020 1.00 0.00 H new ATOM 0 HH TYR A 23 9.797 2.789 -18.061 1.00 0.00 H new ATOM 397 N GLY A 24 7.083 7.228 -10.286 1.00 0.00 N ATOM 398 CA GLY A 24 6.088 7.716 -9.318 1.00 0.00 C ATOM 399 C GLY A 24 5.252 6.591 -8.712 1.00 0.00 C ATOM 400 O GLY A 24 4.065 6.769 -8.430 1.00 0.00 O ATOM 0 H GLY A 24 8.025 7.140 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.598 8.254 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.427 8.429 -9.811 1.00 0.00 H new ATOM 404 N VAL A 25 5.893 5.434 -8.532 1.00 0.00 N ATOM 405 CA VAL A 25 5.273 4.199 -8.013 1.00 0.00 C ATOM 406 C VAL A 25 4.998 4.310 -6.502 1.00 0.00 C ATOM 407 O VAL A 25 5.744 4.979 -5.785 1.00 0.00 O ATOM 408 CB VAL A 25 6.214 2.957 -8.269 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.503 1.616 -7.972 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.782 2.971 -9.702 1.00 0.00 C ATOM 0 H VAL A 25 6.884 5.321 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 25 4.329 4.061 -8.540 1.00 0.00 H new ATOM 0 HB VAL A 25 7.047 3.044 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.189 0.791 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.189 1.594 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.629 1.517 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.426 2.103 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.962 2.938 -10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.361 3.882 -9.855 1.00 0.00 H new ATOM 420 N SER A 26 3.923 3.658 -6.035 1.00 0.00 N ATOM 421 CA SER A 26 3.649 3.497 -4.606 1.00 0.00 C ATOM 422 C SER A 26 4.556 2.389 -4.028 1.00 0.00 C ATOM 423 O SER A 26 4.312 1.194 -4.242 1.00 0.00 O ATOM 424 CB SER A 26 2.158 3.160 -4.380 1.00 0.00 C ATOM 425 OG SER A 26 1.308 4.167 -4.900 1.00 0.00 O ATOM 0 H SER A 26 3.222 3.229 -6.639 1.00 0.00 H new ATOM 0 HA SER A 26 3.865 4.432 -4.090 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.925 2.207 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.970 3.040 -3.313 1.00 0.00 H new ATOM 0 HG SER A 26 0.373 3.920 -4.741 1.00 0.00 H new ATOM 431 N TYR A 27 5.620 2.808 -3.332 1.00 0.00 N ATOM 432 CA TYR A 27 6.600 1.899 -2.713 1.00 0.00 C ATOM 433 C TYR A 27 6.901 2.376 -1.284 1.00 0.00 C ATOM 434 O TYR A 27 6.795 3.573 -0.980 1.00 0.00 O ATOM 435 CB TYR A 27 7.898 1.801 -3.567 1.00 0.00 C ATOM 436 CG TYR A 27 8.814 3.043 -3.540 1.00 0.00 C ATOM 437 CD1 TYR A 27 8.521 4.186 -4.285 1.00 0.00 C ATOM 438 CD2 TYR A 27 9.983 3.056 -2.773 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.353 5.292 -4.263 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.813 4.157 -2.748 1.00 0.00 C ATOM 441 CZ TYR A 27 10.498 5.272 -3.494 1.00 0.00 C ATOM 442 OH TYR A 27 11.334 6.372 -3.467 1.00 0.00 O ATOM 0 H TYR A 27 5.829 3.795 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 27 6.177 0.895 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.473 0.941 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.616 1.603 -4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.627 4.208 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.241 2.186 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.107 6.167 -4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.709 4.145 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 27 11.960 6.326 -4.219 1.00 0.00 H new ATOM 452 N GLU A 28 7.301 1.437 -0.427 1.00 0.00 N ATOM 453 CA GLU A 28 7.514 1.665 1.004 1.00 0.00 C ATOM 454 C GLU A 28 8.971 1.311 1.359 1.00 0.00 C ATOM 455 O GLU A 28 9.284 0.125 1.476 1.00 0.00 O ATOM 456 CB GLU A 28 6.509 0.797 1.819 1.00 0.00 C ATOM 457 CG GLU A 28 6.621 0.957 3.347 1.00 0.00 C ATOM 458 CD GLU A 28 5.475 0.287 4.115 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.427 0.930 4.322 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.595 -0.888 4.496 1.00 0.00 O ATOM 0 H GLU A 28 7.490 0.476 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 28 7.342 2.712 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.495 1.054 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.663 -0.251 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.568 0.534 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.642 2.019 3.593 1.00 0.00 H new ATOM 467 N PRO A 29 9.896 2.328 1.481 1.00 0.00 N ATOM 468 CA PRO A 29 11.304 2.092 1.854 1.00 0.00 C ATOM 469 C PRO A 29 11.429 1.760 3.354 1.00 0.00 C ATOM 470 O PRO A 29 11.515 2.659 4.199 1.00 0.00 O ATOM 471 CB PRO A 29 12.041 3.418 1.469 1.00 0.00 C ATOM 472 CG PRO A 29 10.988 4.322 0.881 1.00 0.00 C ATOM 473 CD PRO A 29 9.639 3.768 1.290 1.00 0.00 C ATOM 0 HA PRO A 29 11.739 1.235 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.504 3.875 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.838 3.227 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.111 5.342 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.075 4.358 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.275 4.235 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.885 3.942 0.522 1.00 0.00 H new ATOM 481 N ILE A 30 11.363 0.466 3.673 1.00 0.00 N ATOM 482 CA ILE A 30 11.511 -0.045 5.051 1.00 0.00 C ATOM 483 C ILE A 30 12.813 -0.851 5.167 1.00 0.00 C ATOM 484 O ILE A 30 13.178 -1.599 4.261 1.00 0.00 O ATOM 485 CB ILE A 30 10.254 -0.899 5.505 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.771 -1.851 4.357 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.108 0.028 6.002 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.526 -2.669 4.666 1.00 0.00 C ATOM 0 H ILE A 30 11.204 -0.268 2.983 1.00 0.00 H new ATOM 0 HA ILE A 30 11.564 0.807 5.729 1.00 0.00 H new ATOM 0 HB ILE A 30 10.556 -1.530 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.579 -1.251 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.583 -2.536 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.256 -0.579 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.458 0.616 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.806 0.697 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.278 -3.293 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.713 -3.303 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.694 -1.998 4.880 1.00 0.00 H new ATOM 500 N ASP A 31 13.529 -0.643 6.280 1.00 0.00 N ATOM 501 CA ASP A 31 14.828 -1.294 6.540 1.00 0.00 C ATOM 502 C ASP A 31 14.664 -2.812 6.699 1.00 0.00 C ATOM 503 O ASP A 31 13.765 -3.268 7.389 1.00 0.00 O ATOM 504 CB ASP A 31 15.486 -0.707 7.802 1.00 0.00 C ATOM 505 CG ASP A 31 15.694 0.815 7.727 1.00 0.00 C ATOM 506 OD1 ASP A 31 16.686 1.258 7.111 1.00 0.00 O ATOM 507 OD2 ASP A 31 14.852 1.574 8.269 1.00 0.00 O ATOM 0 H ASP A 31 13.227 -0.019 7.028 1.00 0.00 H new ATOM 0 HA ASP A 31 15.471 -1.103 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.867 -0.940 8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.450 -1.191 7.960 1.00 0.00 H new ATOM 512 N ILE A 32 15.568 -3.577 6.082 1.00 0.00 N ATOM 513 CA ILE A 32 15.517 -5.049 6.071 1.00 0.00 C ATOM 514 C ILE A 32 15.859 -5.634 7.462 1.00 0.00 C ATOM 515 O ILE A 32 15.368 -6.696 7.831 1.00 0.00 O ATOM 516 CB ILE A 32 16.491 -5.634 4.979 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.281 -7.174 4.778 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.969 -5.309 5.303 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.953 -7.552 4.145 1.00 0.00 C ATOM 0 H ILE A 32 16.363 -3.194 5.571 1.00 0.00 H new ATOM 0 HA ILE A 32 14.497 -5.341 5.822 1.00 0.00 H new ATOM 0 HB ILE A 32 16.244 -5.145 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.088 -7.560 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.361 -7.668 5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.612 -5.728 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.104 -4.228 5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.234 -5.742 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.893 -8.636 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.136 -7.201 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.875 -7.091 3.160 1.00 0.00 H new ATOM 531 N VAL A 33 16.724 -4.930 8.219 1.00 0.00 N ATOM 532 CA VAL A 33 17.191 -5.382 9.555 1.00 0.00 C ATOM 533 C VAL A 33 16.468 -4.639 10.704 1.00 0.00 C ATOM 534 O VAL A 33 16.393 -5.146 11.827 1.00 0.00 O ATOM 535 CB VAL A 33 18.754 -5.227 9.692 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.178 -3.746 9.759 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.327 -6.033 10.889 1.00 0.00 C ATOM 0 H VAL A 33 17.120 -4.036 7.928 1.00 0.00 H new ATOM 0 HA VAL A 33 16.940 -6.439 9.639 1.00 0.00 H new ATOM 0 HB VAL A 33 19.186 -5.654 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.262 -3.682 9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.862 -3.236 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.710 -3.272 10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.407 -5.892 10.939 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.872 -5.682 11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.105 -7.092 10.754 1.00 0.00 H new ATOM 547 N GLN A 34 15.933 -3.441 10.411 1.00 0.00 N ATOM 548 CA GLN A 34 15.246 -2.596 11.422 1.00 0.00 C ATOM 549 C GLN A 34 13.706 -2.746 11.291 1.00 0.00 C ATOM 550 O GLN A 34 12.946 -2.204 12.096 1.00 0.00 O ATOM 551 CB GLN A 34 15.706 -1.110 11.263 1.00 0.00 C ATOM 552 CG GLN A 34 15.539 -0.225 12.514 1.00 0.00 C ATOM 553 CD GLN A 34 15.982 1.226 12.293 1.00 0.00 C ATOM 554 OE1 GLN A 34 17.150 1.569 12.484 1.00 0.00 O ATOM 555 NE2 GLN A 34 15.057 2.088 11.893 1.00 0.00 N ATOM 0 H GLN A 34 15.960 -3.028 9.479 1.00 0.00 H new ATOM 0 HA GLN A 34 15.518 -2.926 12.425 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.756 -1.102 10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.145 -0.660 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.493 -0.236 12.821 1.00 0.00 H new ATOM 0 HG3 GLN A 34 16.116 -0.653 13.333 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.098 1.774 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.304 3.065 11.735 1.00 0.00 H new ATOM 564 N HIS A 35 13.265 -3.487 10.246 1.00 0.00 N ATOM 565 CA HIS A 35 11.843 -3.854 10.019 1.00 0.00 C ATOM 566 C HIS A 35 11.784 -5.303 9.475 1.00 0.00 C ATOM 567 O HIS A 35 10.965 -5.608 8.597 1.00 0.00 O ATOM 568 CB HIS A 35 11.155 -2.865 9.014 1.00 0.00 C ATOM 569 CG HIS A 35 11.062 -1.432 9.479 1.00 0.00 C ATOM 570 ND1 HIS A 35 10.004 -0.947 10.209 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.895 -0.378 9.287 1.00 0.00 C ATOM 572 CE1 HIS A 35 10.186 0.334 10.448 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.324 0.707 9.903 1.00 0.00 N ATOM 0 H HIS A 35 13.892 -3.851 9.529 1.00 0.00 H new ATOM 0 HA HIS A 35 11.302 -3.789 10.963 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.704 -2.889 8.073 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.149 -3.228 8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.832 -0.391 8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.513 0.973 11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.717 1.648 9.933 1.00 0.00 H new ATOM 582 N THR A 36 12.635 -6.189 10.041 1.00 0.00 N ATOM 583 CA THR A 36 12.790 -7.586 9.574 1.00 0.00 C ATOM 584 C THR A 36 11.447 -8.355 9.645 1.00 0.00 C ATOM 585 O THR A 36 10.837 -8.408 10.726 1.00 0.00 O ATOM 586 CB THR A 36 13.873 -8.358 10.414 1.00 0.00 C ATOM 587 OG1 THR A 36 15.015 -7.521 10.604 1.00 0.00 O ATOM 588 CG2 THR A 36 14.329 -9.660 9.715 1.00 0.00 C ATOM 0 H THR A 36 13.233 -5.956 10.834 1.00 0.00 H new ATOM 0 HA THR A 36 13.118 -7.535 8.536 1.00 0.00 H new ATOM 0 HB THR A 36 13.419 -8.621 11.369 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.689 -8.001 11.129 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.077 -10.160 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.472 -10.319 9.578 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.760 -9.419 8.743 1.00 0.00 H new ATOM 596 N PRO A 37 10.945 -8.921 8.490 1.00 0.00 N ATOM 597 CA PRO A 37 9.685 -9.703 8.458 1.00 0.00 C ATOM 598 C PRO A 37 9.729 -10.931 9.391 1.00 0.00 C ATOM 599 O PRO A 37 10.805 -11.489 9.655 1.00 0.00 O ATOM 600 CB PRO A 37 9.543 -10.135 6.969 1.00 0.00 C ATOM 601 CG PRO A 37 10.410 -9.184 6.206 1.00 0.00 C ATOM 602 CD PRO A 37 11.553 -8.829 7.133 1.00 0.00 C ATOM 0 HA PRO A 37 8.838 -9.115 8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.866 -11.166 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.506 -10.076 6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.779 -9.642 5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.852 -8.294 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.389 -9.519 7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.936 -7.828 6.932 1.00 0.00 H new ATOM 610 N THR A 38 8.548 -11.330 9.884 1.00 0.00 N ATOM 611 CA THR A 38 8.385 -12.541 10.705 1.00 0.00 C ATOM 612 C THR A 38 8.461 -13.788 9.806 1.00 0.00 C ATOM 613 O THR A 38 8.445 -13.676 8.571 1.00 0.00 O ATOM 614 CB THR A 38 7.013 -12.523 11.474 1.00 0.00 C ATOM 615 OG1 THR A 38 5.917 -12.670 10.551 1.00 0.00 O ATOM 616 CG2 THR A 38 6.825 -11.222 12.275 1.00 0.00 C ATOM 0 H THR A 38 7.677 -10.823 9.725 1.00 0.00 H new ATOM 0 HA THR A 38 9.188 -12.568 11.441 1.00 0.00 H new ATOM 0 HB THR A 38 7.025 -13.361 12.171 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.072 -12.500 11.017 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.866 -11.248 12.792 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.628 -11.125 13.005 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.848 -10.370 11.596 1.00 0.00 H new ATOM 624 N ILE A 39 8.536 -14.971 10.430 1.00 0.00 N ATOM 625 CA ILE A 39 8.536 -16.264 9.713 1.00 0.00 C ATOM 626 C ILE A 39 7.220 -16.407 8.915 1.00 0.00 C ATOM 627 O ILE A 39 7.212 -16.920 7.791 1.00 0.00 O ATOM 628 CB ILE A 39 8.696 -17.457 10.726 1.00 0.00 C ATOM 629 CG1 ILE A 39 9.944 -17.236 11.641 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.789 -18.818 9.995 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.079 -18.222 12.787 1.00 0.00 C ATOM 0 H ILE A 39 8.598 -15.064 11.444 1.00 0.00 H new ATOM 0 HA ILE A 39 9.380 -16.291 9.024 1.00 0.00 H new ATOM 0 HB ILE A 39 7.804 -17.481 11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.842 -17.291 11.026 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.901 -16.227 12.052 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.899 -19.618 10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.882 -18.981 9.413 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.652 -18.815 9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.973 -17.988 13.365 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.203 -18.153 13.431 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.158 -19.234 12.389 1.00 0.00 H new ATOM 643 N ASN A 40 6.135 -15.882 9.520 1.00 0.00 N ATOM 644 CA ASN A 40 4.787 -15.835 8.924 1.00 0.00 C ATOM 645 C ASN A 40 4.791 -14.954 7.657 1.00 0.00 C ATOM 646 O ASN A 40 4.306 -15.374 6.609 1.00 0.00 O ATOM 647 CB ASN A 40 3.759 -15.273 9.947 1.00 0.00 C ATOM 648 CG ASN A 40 3.732 -16.042 11.269 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.475 -15.721 12.202 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.882 -17.056 11.369 1.00 0.00 N ATOM 0 H ASN A 40 6.173 -15.472 10.453 1.00 0.00 H new ATOM 0 HA ASN A 40 4.499 -16.850 8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.993 -14.228 10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.765 -15.297 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.830 -17.594 12.234 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.281 -17.297 10.581 1.00 0.00 H new ATOM 657 N GLU A 41 5.382 -13.744 7.772 1.00 0.00 N ATOM 658 CA GLU A 41 5.445 -12.759 6.671 1.00 0.00 C ATOM 659 C GLU A 41 6.217 -13.327 5.467 1.00 0.00 C ATOM 660 O GLU A 41 5.736 -13.263 4.331 1.00 0.00 O ATOM 661 CB GLU A 41 6.106 -11.441 7.156 1.00 0.00 C ATOM 662 CG GLU A 41 5.281 -10.623 8.169 1.00 0.00 C ATOM 663 CD GLU A 41 4.025 -9.981 7.556 1.00 0.00 C ATOM 664 OE1 GLU A 41 2.946 -10.620 7.566 1.00 0.00 O ATOM 665 OE2 GLU A 41 4.108 -8.828 7.070 1.00 0.00 O ATOM 0 H GLU A 41 5.829 -13.423 8.631 1.00 0.00 H new ATOM 0 HA GLU A 41 4.424 -12.544 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.069 -11.681 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.308 -10.814 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.983 -11.272 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.911 -9.840 8.592 1.00 0.00 H new ATOM 672 N PHE A 42 7.397 -13.911 5.748 1.00 0.00 N ATOM 673 CA PHE A 42 8.240 -14.546 4.725 1.00 0.00 C ATOM 674 C PHE A 42 7.479 -15.681 4.008 1.00 0.00 C ATOM 675 O PHE A 42 7.316 -15.634 2.793 1.00 0.00 O ATOM 676 CB PHE A 42 9.569 -15.078 5.336 1.00 0.00 C ATOM 677 CG PHE A 42 10.672 -14.033 5.512 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.256 -13.424 4.397 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.146 -13.679 6.773 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.267 -12.494 4.541 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.158 -12.750 6.916 1.00 0.00 C ATOM 682 CZ PHE A 42 12.719 -12.159 5.801 1.00 0.00 C ATOM 0 H PHE A 42 7.789 -13.954 6.689 1.00 0.00 H new ATOM 0 HA PHE A 42 8.491 -13.784 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.351 -15.520 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.947 -15.878 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.911 -13.685 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.716 -14.137 7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.703 -12.030 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.511 -12.485 7.902 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.512 -11.434 5.915 1.00 0.00 H new ATOM 692 N LYS A 43 6.959 -16.666 4.766 1.00 0.00 N ATOM 693 CA LYS A 43 6.294 -17.845 4.162 1.00 0.00 C ATOM 694 C LYS A 43 5.042 -17.451 3.356 1.00 0.00 C ATOM 695 O LYS A 43 4.710 -18.119 2.374 1.00 0.00 O ATOM 696 CB LYS A 43 5.952 -18.927 5.217 1.00 0.00 C ATOM 697 CG LYS A 43 4.860 -18.566 6.243 1.00 0.00 C ATOM 698 CD LYS A 43 4.632 -19.684 7.288 1.00 0.00 C ATOM 699 CE LYS A 43 5.904 -20.022 8.080 1.00 0.00 C ATOM 700 NZ LYS A 43 5.677 -21.042 9.133 1.00 0.00 N ATOM 0 H LYS A 43 6.984 -16.673 5.786 1.00 0.00 H new ATOM 0 HA LYS A 43 7.013 -18.279 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.641 -19.830 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.864 -19.173 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.139 -17.646 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.925 -18.368 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.849 -19.375 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.274 -20.581 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.669 -20.382 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.291 -19.113 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.538 -21.613 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.446 -20.569 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.888 -21.660 8.854 1.00 0.00 H new ATOM 714 N THR A 44 4.384 -16.344 3.761 1.00 0.00 N ATOM 715 CA THR A 44 3.232 -15.789 3.031 1.00 0.00 C ATOM 716 C THR A 44 3.682 -15.261 1.656 1.00 0.00 C ATOM 717 O THR A 44 3.145 -15.689 0.621 1.00 0.00 O ATOM 718 CB THR A 44 2.525 -14.649 3.840 1.00 0.00 C ATOM 719 OG1 THR A 44 2.070 -15.166 5.097 1.00 0.00 O ATOM 720 CG2 THR A 44 1.323 -14.042 3.088 1.00 0.00 C ATOM 0 H THR A 44 4.636 -15.816 4.597 1.00 0.00 H new ATOM 0 HA THR A 44 2.509 -16.593 2.893 1.00 0.00 H new ATOM 0 HB THR A 44 3.260 -13.857 3.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.842 -15.406 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.872 -13.258 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.662 -13.619 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.585 -14.820 2.894 1.00 0.00 H new ATOM 728 N ILE A 45 4.713 -14.376 1.646 1.00 0.00 N ATOM 729 CA ILE A 45 5.175 -13.732 0.403 1.00 0.00 C ATOM 730 C ILE A 45 5.680 -14.788 -0.597 1.00 0.00 C ATOM 731 O ILE A 45 5.444 -14.670 -1.772 1.00 0.00 O ATOM 732 CB ILE A 45 6.261 -12.593 0.614 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.667 -13.152 1.031 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.756 -11.533 1.629 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.755 -12.106 1.246 1.00 0.00 C ATOM 0 H ILE A 45 5.231 -14.099 2.480 1.00 0.00 H new ATOM 0 HA ILE A 45 4.301 -13.225 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 45 6.401 -12.112 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.552 -13.725 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.004 -13.848 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.516 -10.762 1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.838 -11.079 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.559 -12.012 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.684 -12.600 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.910 -11.547 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.451 -11.422 2.038 1.00 0.00 H new ATOM 747 N ILE A 46 6.301 -15.858 -0.091 1.00 0.00 N ATOM 748 CA ILE A 46 6.848 -16.950 -0.922 1.00 0.00 C ATOM 749 C ILE A 46 5.725 -17.851 -1.474 1.00 0.00 C ATOM 750 O ILE A 46 5.783 -18.292 -2.626 1.00 0.00 O ATOM 751 CB ILE A 46 7.885 -17.777 -0.081 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.034 -16.833 0.388 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.449 -18.987 -0.865 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.766 -17.310 1.603 1.00 0.00 C ATOM 0 H ILE A 46 6.442 -15.997 0.910 1.00 0.00 H new ATOM 0 HA ILE A 46 7.358 -16.518 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 46 7.369 -18.187 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.747 -16.714 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.617 -15.847 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.161 -19.526 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.632 -19.654 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.951 -18.635 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.548 -16.595 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.069 -17.401 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.216 -18.282 1.399 1.00 0.00 H new ATOM 766 N ALA A 47 4.695 -18.083 -0.644 1.00 0.00 N ATOM 767 CA ALA A 47 3.515 -18.888 -1.023 1.00 0.00 C ATOM 768 C ALA A 47 2.714 -18.219 -2.166 1.00 0.00 C ATOM 769 O ALA A 47 2.150 -18.906 -3.025 1.00 0.00 O ATOM 770 CB ALA A 47 2.613 -19.121 0.200 1.00 0.00 C ATOM 0 H ALA A 47 4.654 -17.720 0.308 1.00 0.00 H new ATOM 0 HA ALA A 47 3.872 -19.851 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.748 -19.715 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.173 -19.652 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.277 -18.161 0.593 1.00 0.00 H new ATOM 776 N ASN A 48 2.672 -16.872 -2.163 1.00 0.00 N ATOM 777 CA ASN A 48 1.909 -16.094 -3.164 1.00 0.00 C ATOM 778 C ASN A 48 2.759 -15.742 -4.416 1.00 0.00 C ATOM 779 O ASN A 48 2.291 -15.916 -5.547 1.00 0.00 O ATOM 780 CB ASN A 48 1.319 -14.814 -2.530 1.00 0.00 C ATOM 781 CG ASN A 48 0.196 -15.093 -1.515 1.00 0.00 C ATOM 782 OD1 ASN A 48 -0.957 -15.282 -1.891 1.00 0.00 O ATOM 783 ND2 ASN A 48 0.517 -15.077 -0.228 1.00 0.00 N ATOM 0 H ASN A 48 3.159 -16.297 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 48 1.091 -16.730 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.118 -14.263 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.932 -14.172 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.203 -15.224 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.484 -14.917 0.054 1.00 0.00 H new ATOM 790 N THR A 49 3.995 -15.244 -4.212 1.00 0.00 N ATOM 791 CA THR A 49 4.872 -14.782 -5.325 1.00 0.00 C ATOM 792 C THR A 49 5.506 -15.971 -6.071 1.00 0.00 C ATOM 793 O THR A 49 5.759 -15.899 -7.282 1.00 0.00 O ATOM 794 CB THR A 49 6.022 -13.838 -4.828 1.00 0.00 C ATOM 795 OG1 THR A 49 6.943 -14.570 -3.993 1.00 0.00 O ATOM 796 CG2 THR A 49 5.484 -12.624 -4.042 1.00 0.00 C ATOM 0 H THR A 49 4.416 -15.148 -3.288 1.00 0.00 H new ATOM 0 HA THR A 49 4.224 -14.223 -6.000 1.00 0.00 H new ATOM 0 HB THR A 49 6.533 -13.467 -5.716 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.471 -14.910 -3.205 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.318 -12.001 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.822 -12.041 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.932 -12.972 -3.169 1.00 0.00 H new ATOM 804 N GLY A 50 5.765 -17.054 -5.320 1.00 0.00 N ATOM 805 CA GLY A 50 6.451 -18.233 -5.848 1.00 0.00 C ATOM 806 C GLY A 50 7.950 -18.007 -6.011 1.00 0.00 C ATOM 807 O GLY A 50 8.561 -18.523 -6.954 1.00 0.00 O ATOM 0 H GLY A 50 5.505 -17.132 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.284 -19.077 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.019 -18.500 -6.813 1.00 0.00 H new ATOM 811 N VAL A 51 8.544 -17.226 -5.088 1.00 0.00 N ATOM 812 CA VAL A 51 9.990 -16.929 -5.110 1.00 0.00 C ATOM 813 C VAL A 51 10.768 -18.074 -4.443 1.00 0.00 C ATOM 814 O VAL A 51 10.212 -18.804 -3.614 1.00 0.00 O ATOM 815 CB VAL A 51 10.297 -15.550 -4.393 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.982 -15.584 -2.880 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.749 -15.064 -4.645 1.00 0.00 C ATOM 0 H VAL A 51 8.043 -16.788 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 51 10.312 -16.842 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 51 9.623 -14.825 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.211 -14.614 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.926 -15.809 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.587 -16.353 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.909 -14.115 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.452 -15.805 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.907 -14.930 -5.715 1.00 0.00 H new ATOM 827 N GLU A 52 12.035 -18.260 -4.843 1.00 0.00 N ATOM 828 CA GLU A 52 12.952 -19.152 -4.136 1.00 0.00 C ATOM 829 C GLU A 52 13.234 -18.590 -2.729 1.00 0.00 C ATOM 830 O GLU A 52 13.568 -17.407 -2.575 1.00 0.00 O ATOM 831 CB GLU A 52 14.279 -19.354 -4.917 1.00 0.00 C ATOM 832 CG GLU A 52 14.174 -20.223 -6.188 1.00 0.00 C ATOM 833 CD GLU A 52 13.645 -19.477 -7.425 1.00 0.00 C ATOM 834 OE1 GLU A 52 12.413 -19.347 -7.589 1.00 0.00 O ATOM 835 OE2 GLU A 52 14.468 -18.985 -8.227 1.00 0.00 O ATOM 0 H GLU A 52 12.444 -17.800 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 52 12.477 -20.130 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.668 -18.375 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.010 -19.807 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.159 -20.630 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.519 -21.070 -5.982 1.00 0.00 H new ATOM 842 N ILE A 53 13.076 -19.445 -1.717 1.00 0.00 N ATOM 843 CA ILE A 53 13.321 -19.085 -0.312 1.00 0.00 C ATOM 844 C ILE A 53 14.851 -18.958 -0.080 1.00 0.00 C ATOM 845 O ILE A 53 15.311 -18.108 0.688 1.00 0.00 O ATOM 846 CB ILE A 53 12.620 -20.146 0.648 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.358 -19.596 2.091 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.366 -21.497 0.683 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.557 -19.349 2.975 1.00 0.00 C ATOM 0 H ILE A 53 12.774 -20.411 -1.845 1.00 0.00 H new ATOM 0 HA ILE A 53 12.879 -18.117 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 53 11.641 -20.330 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.810 -18.658 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.702 -20.299 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.846 -22.183 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.396 -21.922 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.383 -21.342 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.225 -18.970 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.101 -20.282 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.212 -18.616 2.504 1.00 0.00 H new ATOM 861 N ASN A 54 15.622 -19.779 -0.816 1.00 0.00 N ATOM 862 CA ASN A 54 17.091 -19.819 -0.723 1.00 0.00 C ATOM 863 C ASN A 54 17.725 -18.502 -1.236 1.00 0.00 C ATOM 864 O ASN A 54 18.715 -18.028 -0.665 1.00 0.00 O ATOM 865 CB ASN A 54 17.631 -21.050 -1.508 1.00 0.00 C ATOM 866 CG ASN A 54 19.163 -21.147 -1.534 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.775 -21.759 -0.658 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.789 -20.557 -2.546 1.00 0.00 N ATOM 0 H ASN A 54 15.240 -20.437 -1.496 1.00 0.00 H new ATOM 0 HA ASN A 54 17.373 -19.920 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.227 -21.959 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.262 -21.006 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.806 -20.603 -2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.253 -20.058 -3.256 1.00 0.00 H new ATOM 875 N LYS A 55 17.139 -17.903 -2.307 1.00 0.00 N ATOM 876 CA LYS A 55 17.677 -16.648 -2.897 1.00 0.00 C ATOM 877 C LYS A 55 17.381 -15.415 -2.013 1.00 0.00 C ATOM 878 O LYS A 55 17.910 -14.329 -2.277 1.00 0.00 O ATOM 879 CB LYS A 55 17.149 -16.388 -4.337 1.00 0.00 C ATOM 880 CG LYS A 55 15.671 -15.902 -4.437 1.00 0.00 C ATOM 881 CD LYS A 55 15.459 -14.832 -5.540 1.00 0.00 C ATOM 882 CE LYS A 55 15.893 -15.289 -6.938 1.00 0.00 C ATOM 883 NZ LYS A 55 15.028 -16.361 -7.471 1.00 0.00 N ATOM 0 H LYS A 55 16.306 -18.263 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 55 18.756 -16.794 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.790 -15.644 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.250 -17.308 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.026 -16.757 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.364 -15.491 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.405 -14.558 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.015 -13.933 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.874 -14.438 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.923 -15.642 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.537 -17.267 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.163 -16.427 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.774 -16.145 -8.456 1.00 0.00 H new ATOM 897 N LEU A 56 16.514 -15.570 -0.992 1.00 0.00 N ATOM 898 CA LEU A 56 16.246 -14.488 -0.021 1.00 0.00 C ATOM 899 C LEU A 56 17.440 -14.292 0.918 1.00 0.00 C ATOM 900 O LEU A 56 17.568 -13.242 1.531 1.00 0.00 O ATOM 901 CB LEU A 56 14.965 -14.768 0.801 1.00 0.00 C ATOM 902 CG LEU A 56 13.638 -14.909 -0.008 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.433 -15.045 0.937 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.436 -13.736 -0.989 1.00 0.00 C ATOM 0 H LEU A 56 15.990 -16.428 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 56 16.091 -13.571 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.118 -15.685 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.840 -13.962 1.524 1.00 0.00 H new ATOM 0 HG LEU A 56 13.715 -15.820 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.520 -15.142 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.559 -15.929 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.365 -14.160 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.501 -13.873 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.399 -12.799 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.265 -13.706 -1.696 1.00 0.00 H new ATOM 916 N PHE A 57 18.298 -15.321 1.026 1.00 0.00 N ATOM 917 CA PHE A 57 19.557 -15.234 1.779 1.00 0.00 C ATOM 918 C PHE A 57 20.594 -14.364 1.046 1.00 0.00 C ATOM 919 O PHE A 57 20.538 -14.212 -0.178 1.00 0.00 O ATOM 920 CB PHE A 57 20.149 -16.632 2.043 1.00 0.00 C ATOM 921 CG PHE A 57 19.421 -17.427 3.117 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.302 -18.193 2.807 1.00 0.00 C ATOM 923 CD2 PHE A 57 19.859 -17.398 4.447 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.646 -18.906 3.786 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.199 -18.111 5.425 1.00 0.00 C ATOM 926 CZ PHE A 57 18.094 -18.865 5.096 1.00 0.00 C ATOM 0 H PHE A 57 18.138 -16.232 0.595 1.00 0.00 H new ATOM 0 HA PHE A 57 19.322 -14.765 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.135 -17.201 1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.194 -16.522 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.944 -18.229 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.725 -16.809 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.780 -19.499 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.547 -18.079 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.576 -19.425 5.861 1.00 0.00 H new ATOM 936 N ASN A 58 21.539 -13.834 1.846 1.00 0.00 N ATOM 937 CA ASN A 58 22.662 -12.975 1.410 1.00 0.00 C ATOM 938 C ASN A 58 23.722 -13.753 0.576 1.00 0.00 C ATOM 939 O ASN A 58 24.898 -13.821 0.932 1.00 0.00 O ATOM 940 CB ASN A 58 23.291 -12.295 2.679 1.00 0.00 C ATOM 941 CG ASN A 58 23.901 -13.249 3.748 1.00 0.00 C ATOM 942 OD1 ASN A 58 23.411 -14.485 3.875 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 24.820 -12.867 4.480 1.00 0.00 N flip ATOM 0 H ASN A 58 21.543 -13.997 2.853 1.00 0.00 H new ATOM 0 HA ASN A 58 22.280 -12.207 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 58 24.072 -11.610 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 58 22.521 -11.692 3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.192 -11.923 4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.207 -13.496 5.184 1.00 0.00 H new ATOM 999 N LYS A 63 27.854 -13.331 4.795 1.00 0.00 N ATOM 1000 CA LYS A 63 27.778 -14.292 5.913 1.00 0.00 C ATOM 1001 C LYS A 63 27.283 -15.672 5.443 1.00 0.00 C ATOM 1002 O LYS A 63 27.498 -16.671 6.118 1.00 0.00 O ATOM 1003 CB LYS A 63 26.877 -13.747 7.032 1.00 0.00 C ATOM 1004 CG LYS A 63 27.311 -12.366 7.552 1.00 0.00 C ATOM 1005 CD LYS A 63 26.395 -11.840 8.666 1.00 0.00 C ATOM 1006 CE LYS A 63 24.926 -11.831 8.253 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.078 -11.206 9.302 1.00 0.00 N ATOM 0 HA LYS A 63 28.786 -14.421 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.853 -13.682 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.874 -14.454 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.333 -12.427 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.316 -11.656 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.516 -12.459 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.700 -10.829 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.812 -11.285 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.590 -12.852 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.092 -11.167 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.131 -11.771 10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.417 -10.242 9.494 1.00 0.00 H new ATOM 1021 N TYR A 64 26.614 -15.693 4.288 1.00 0.00 N ATOM 1022 CA TYR A 64 26.158 -16.935 3.612 1.00 0.00 C ATOM 1023 C TYR A 64 27.283 -18.000 3.502 1.00 0.00 C ATOM 1024 O TYR A 64 27.023 -19.206 3.639 1.00 0.00 O ATOM 1025 CB TYR A 64 25.637 -16.571 2.204 1.00 0.00 C ATOM 1026 CG TYR A 64 24.820 -17.667 1.502 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.493 -17.883 1.854 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.363 -18.462 0.490 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.737 -18.846 1.226 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.602 -19.430 -0.139 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.290 -19.613 0.237 1.00 0.00 C ATOM 1032 OH TYR A 64 22.521 -20.568 -0.381 1.00 0.00 O ATOM 0 H TYR A 64 26.365 -14.844 3.780 1.00 0.00 H new ATOM 0 HA TYR A 64 25.364 -17.376 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.020 -15.676 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.489 -16.316 1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.047 -17.284 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.392 -18.319 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.707 -18.996 1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.034 -20.038 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 64 21.603 -20.520 -0.040 1.00 0.00 H new ATOM 1042 N ARG A 65 28.532 -17.534 3.275 1.00 0.00 N ATOM 1043 CA ARG A 65 29.710 -18.418 3.093 1.00 0.00 C ATOM 1044 C ARG A 65 30.625 -18.374 4.337 1.00 0.00 C ATOM 1045 O ARG A 65 31.325 -19.350 4.629 1.00 0.00 O ATOM 1046 CB ARG A 65 30.532 -18.035 1.826 1.00 0.00 C ATOM 1047 CG ARG A 65 31.320 -16.707 1.934 1.00 0.00 C ATOM 1048 CD ARG A 65 32.348 -16.521 0.805 1.00 0.00 C ATOM 1049 NE ARG A 65 33.274 -15.402 1.102 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.590 -15.392 0.821 1.00 0.00 C ATOM 1051 NH1 ARG A 65 35.153 -16.376 0.128 1.00 0.00 N ATOM 1052 NH2 ARG A 65 35.334 -14.372 1.235 1.00 0.00 N ATOM 0 H ARG A 65 28.753 -16.540 3.213 1.00 0.00 H new ATOM 0 HA ARG A 65 29.330 -19.431 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.234 -18.840 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.852 -17.969 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 65 30.618 -15.873 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.834 -16.674 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.917 -17.441 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.830 -16.328 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 65 32.883 -14.576 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.586 -17.157 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 65 36.152 -16.350 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.906 -13.609 1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 65 36.333 -14.352 1.029 1.00 0.00 H new ATOM 1066 N GLU A 66 30.616 -17.217 5.045 1.00 0.00 N ATOM 1067 CA GLU A 66 31.387 -17.013 6.294 1.00 0.00 C ATOM 1068 C GLU A 66 30.935 -18.021 7.363 1.00 0.00 C ATOM 1069 O GLU A 66 31.748 -18.745 7.945 1.00 0.00 O ATOM 1070 CB GLU A 66 31.188 -15.551 6.795 1.00 0.00 C ATOM 1071 CG GLU A 66 31.791 -15.216 8.176 1.00 0.00 C ATOM 1072 CD GLU A 66 33.322 -15.366 8.245 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.036 -14.458 7.763 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.819 -16.380 8.787 1.00 0.00 O ATOM 0 H GLU A 66 30.073 -16.400 4.765 1.00 0.00 H new ATOM 0 HA GLU A 66 32.447 -17.176 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.622 -14.874 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.119 -15.343 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.525 -14.192 8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.339 -15.865 8.926 1.00 0.00 H new ATOM 1081 N LEU A 67 29.618 -18.046 7.596 1.00 0.00 N ATOM 1082 CA LEU A 67 28.959 -19.009 8.499 1.00 0.00 C ATOM 1083 C LEU A 67 28.877 -20.393 7.822 1.00 0.00 C ATOM 1084 O LEU A 67 28.751 -21.423 8.503 1.00 0.00 O ATOM 1085 CB LEU A 67 27.526 -18.511 8.850 1.00 0.00 C ATOM 1086 CG LEU A 67 27.389 -16.996 9.227 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.921 -16.622 9.544 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.337 -16.605 10.386 1.00 0.00 C ATOM 0 H LEU A 67 28.968 -17.392 7.160 1.00 0.00 H new ATOM 0 HA LEU A 67 29.544 -19.093 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.876 -18.711 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.152 -19.106 9.683 1.00 0.00 H new ATOM 0 HG LEU A 67 27.693 -16.418 8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.862 -15.564 9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.299 -16.818 8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.566 -17.220 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.212 -15.547 10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.098 -17.200 11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.369 -16.792 10.091 1.00 0.00 H new ATOM 1100 N ASP A 68 28.944 -20.370 6.466 1.00 0.00 N ATOM 1101 CA ASP A 68 28.809 -21.547 5.594 1.00 0.00 C ATOM 1102 C ASP A 68 27.411 -22.155 5.783 1.00 0.00 C ATOM 1103 O ASP A 68 27.238 -23.363 5.998 1.00 0.00 O ATOM 1104 CB ASP A 68 29.974 -22.567 5.827 1.00 0.00 C ATOM 1105 CG ASP A 68 30.015 -23.734 4.816 1.00 0.00 C ATOM 1106 OD1 ASP A 68 29.939 -23.472 3.592 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.120 -24.909 5.232 1.00 0.00 O ATOM 0 H ASP A 68 29.097 -19.507 5.944 1.00 0.00 H new ATOM 0 HA ASP A 68 28.899 -21.249 4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.923 -22.032 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.885 -22.977 6.833 1.00 0.00 H new ATOM 1112 N LEU A 69 26.402 -21.259 5.717 1.00 0.00 N ATOM 1113 CA LEU A 69 24.998 -21.624 5.907 1.00 0.00 C ATOM 1114 C LEU A 69 24.533 -22.625 4.851 1.00 0.00 C ATOM 1115 O LEU A 69 23.748 -23.487 5.174 1.00 0.00 O ATOM 1116 CB LEU A 69 24.057 -20.390 5.894 1.00 0.00 C ATOM 1117 CG LEU A 69 24.150 -19.420 7.107 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.084 -18.315 6.996 1.00 0.00 C ATOM 1119 CD2 LEU A 69 24.024 -20.173 8.454 1.00 0.00 C ATOM 0 H LEU A 69 26.547 -20.267 5.530 1.00 0.00 H new ATOM 0 HA LEU A 69 24.940 -22.086 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.259 -19.819 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.030 -20.748 5.824 1.00 0.00 H new ATOM 0 HG LEU A 69 25.136 -18.956 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.163 -17.646 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.241 -17.749 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.092 -18.767 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.094 -19.461 9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 69 23.062 -20.684 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.827 -20.905 8.538 1.00 0.00 H new ATOM 1131 N LYS A 70 25.036 -22.510 3.608 1.00 0.00 N ATOM 1132 CA LYS A 70 24.592 -23.364 2.483 1.00 0.00 C ATOM 1133 C LYS A 70 24.694 -24.877 2.823 1.00 0.00 C ATOM 1134 O LYS A 70 23.819 -25.676 2.437 1.00 0.00 O ATOM 1135 CB LYS A 70 25.403 -23.038 1.204 1.00 0.00 C ATOM 1136 CG LYS A 70 24.961 -23.827 -0.055 1.00 0.00 C ATOM 1137 CD LYS A 70 23.459 -23.653 -0.383 1.00 0.00 C ATOM 1138 CE LYS A 70 23.007 -24.507 -1.577 1.00 0.00 C ATOM 1139 NZ LYS A 70 21.593 -24.240 -1.945 1.00 0.00 N ATOM 0 H LYS A 70 25.754 -21.831 3.353 1.00 0.00 H new ATOM 0 HA LYS A 70 23.540 -23.144 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.318 -21.971 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.456 -23.243 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.554 -23.499 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.174 -24.886 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.867 -23.919 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.258 -22.603 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.650 -24.303 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.126 -25.563 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.006 -25.058 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.256 -23.397 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.526 -24.078 -2.970 1.00 0.00 H new ATOM 1153 N ASN A 71 25.742 -25.223 3.596 1.00 0.00 N ATOM 1154 CA ASN A 71 25.985 -26.588 4.113 1.00 0.00 C ATOM 1155 C ASN A 71 24.757 -27.106 4.898 1.00 0.00 C ATOM 1156 O ASN A 71 24.276 -28.218 4.651 1.00 0.00 O ATOM 1157 CB ASN A 71 27.241 -26.566 5.026 1.00 0.00 C ATOM 1158 CG ASN A 71 27.781 -27.941 5.478 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.070 -28.947 5.531 1.00 0.00 O ATOM 1160 ND2 ASN A 71 29.059 -27.974 5.842 1.00 0.00 N ATOM 0 H ASN A 71 26.455 -24.553 3.884 1.00 0.00 H new ATOM 0 HA ASN A 71 26.153 -27.264 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.038 -26.041 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.008 -25.981 5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.472 -28.845 6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.626 -27.128 5.789 1.00 0.00 H new ATOM 1167 N LYS A 72 24.244 -26.285 5.840 1.00 0.00 N ATOM 1168 CA LYS A 72 23.060 -26.653 6.642 1.00 0.00 C ATOM 1169 C LYS A 72 21.764 -26.446 5.831 1.00 0.00 C ATOM 1170 O LYS A 72 20.848 -27.243 5.956 1.00 0.00 O ATOM 1171 CB LYS A 72 23.010 -25.883 8.002 1.00 0.00 C ATOM 1172 CG LYS A 72 22.792 -24.362 7.924 1.00 0.00 C ATOM 1173 CD LYS A 72 22.761 -23.683 9.318 1.00 0.00 C ATOM 1174 CE LYS A 72 21.485 -24.012 10.110 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.464 -23.399 11.458 1.00 0.00 N ATOM 0 H LYS A 72 24.630 -25.367 6.062 1.00 0.00 H new ATOM 0 HA LYS A 72 23.145 -27.713 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.211 -26.311 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.944 -26.067 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.587 -23.917 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.854 -24.161 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.632 -24.000 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.838 -22.603 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.617 -23.669 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.394 -25.094 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.581 -23.656 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.275 -23.745 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.522 -22.364 11.370 1.00 0.00 H new ATOM 1189 N LEU A 73 21.730 -25.414 4.946 1.00 0.00 N ATOM 1190 CA LEU A 73 20.500 -24.984 4.234 1.00 0.00 C ATOM 1191 C LEU A 73 19.978 -26.075 3.288 1.00 0.00 C ATOM 1192 O LEU A 73 18.763 -26.288 3.182 1.00 0.00 O ATOM 1193 CB LEU A 73 20.701 -23.656 3.443 1.00 0.00 C ATOM 1194 CG LEU A 73 20.958 -22.364 4.282 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.992 -21.107 3.386 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.940 -22.215 5.427 1.00 0.00 C ATOM 0 H LEU A 73 22.553 -24.860 4.708 1.00 0.00 H new ATOM 0 HA LEU A 73 19.756 -24.805 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.542 -23.791 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.816 -23.490 2.828 1.00 0.00 H new ATOM 0 HG LEU A 73 21.942 -22.466 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.173 -20.226 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.791 -21.206 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.037 -21.001 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.153 -21.304 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.933 -22.160 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.012 -23.075 6.093 1.00 0.00 H new ATOM 1208 N GLN A 74 20.911 -26.773 2.628 1.00 0.00 N ATOM 1209 CA GLN A 74 20.587 -27.835 1.660 1.00 0.00 C ATOM 1210 C GLN A 74 19.890 -29.050 2.328 1.00 0.00 C ATOM 1211 O GLN A 74 19.198 -29.822 1.652 1.00 0.00 O ATOM 1212 CB GLN A 74 21.878 -28.280 0.922 1.00 0.00 C ATOM 1213 CG GLN A 74 22.933 -28.955 1.819 1.00 0.00 C ATOM 1214 CD GLN A 74 24.232 -29.304 1.091 1.00 0.00 C ATOM 1215 OE1 GLN A 74 25.183 -28.520 1.069 1.00 0.00 O ATOM 1216 NE2 GLN A 74 24.272 -30.475 0.466 1.00 0.00 N ATOM 0 H GLN A 74 21.912 -26.619 2.748 1.00 0.00 H new ATOM 0 HA GLN A 74 19.879 -27.425 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 74 21.604 -28.970 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.328 -27.408 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.162 -28.294 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 74 22.508 -29.866 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 74 23.468 -31.101 0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 74 25.107 -30.748 -0.052 1.00 0.00 H new ATOM 1225 N THR A 75 20.050 -29.194 3.666 1.00 0.00 N ATOM 1226 CA THR A 75 19.609 -30.397 4.399 1.00 0.00 C ATOM 1227 C THR A 75 18.585 -30.095 5.530 1.00 0.00 C ATOM 1228 O THR A 75 17.923 -31.028 6.006 1.00 0.00 O ATOM 1229 CB THR A 75 20.853 -31.177 4.953 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.453 -32.401 5.597 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.693 -30.334 5.926 1.00 0.00 C ATOM 0 H THR A 75 20.484 -28.486 4.258 1.00 0.00 H new ATOM 0 HA THR A 75 19.078 -31.025 3.683 1.00 0.00 H new ATOM 0 HB THR A 75 21.476 -31.409 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.567 -32.285 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.540 -30.922 6.279 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.057 -29.443 5.414 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.078 -30.038 6.776 1.00 0.00 H new ATOM 1239 N LEU A 76 18.437 -28.818 5.971 1.00 0.00 N ATOM 1240 CA LEU A 76 17.396 -28.452 6.979 1.00 0.00 C ATOM 1241 C LEU A 76 16.008 -28.270 6.322 1.00 0.00 C ATOM 1242 O LEU A 76 15.858 -28.447 5.108 1.00 0.00 O ATOM 1243 CB LEU A 76 17.806 -27.197 7.838 1.00 0.00 C ATOM 1244 CG LEU A 76 18.321 -25.899 7.120 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.358 -25.336 6.081 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.688 -24.806 8.141 1.00 0.00 C ATOM 0 H LEU A 76 19.011 -28.036 5.655 1.00 0.00 H new ATOM 0 HA LEU A 76 17.322 -29.290 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.941 -26.916 8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.584 -27.517 8.531 1.00 0.00 H new ATOM 0 HG LEU A 76 19.213 -26.211 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.789 -24.441 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.182 -26.082 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.413 -25.082 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.041 -23.920 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.809 -24.550 8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.474 -25.173 8.800 1.00 0.00 H new ATOM 1258 N SER A 77 15.006 -27.899 7.139 1.00 0.00 N ATOM 1259 CA SER A 77 13.644 -27.592 6.671 1.00 0.00 C ATOM 1260 C SER A 77 13.606 -26.167 6.079 1.00 0.00 C ATOM 1261 O SER A 77 14.311 -25.281 6.567 1.00 0.00 O ATOM 1262 CB SER A 77 12.653 -27.703 7.852 1.00 0.00 C ATOM 1263 OG SER A 77 12.828 -28.916 8.568 1.00 0.00 O ATOM 0 H SER A 77 15.120 -27.803 8.148 1.00 0.00 H new ATOM 0 HA SER A 77 13.357 -28.304 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.793 -26.858 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.631 -27.645 7.477 1.00 0.00 H new ATOM 0 HG SER A 77 13.591 -28.829 9.177 1.00 0.00 H new ATOM 1269 N ASP A 78 12.766 -25.937 5.058 1.00 0.00 N ATOM 1270 CA ASP A 78 12.592 -24.590 4.461 1.00 0.00 C ATOM 1271 C ASP A 78 11.998 -23.603 5.480 1.00 0.00 C ATOM 1272 O ASP A 78 12.169 -22.393 5.340 1.00 0.00 O ATOM 1273 CB ASP A 78 11.723 -24.659 3.180 1.00 0.00 C ATOM 1274 CG ASP A 78 12.430 -25.415 2.039 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.463 -24.907 1.541 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.999 -26.536 1.675 1.00 0.00 O ATOM 0 H ASP A 78 12.194 -26.661 4.624 1.00 0.00 H new ATOM 0 HA ASP A 78 13.578 -24.221 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.778 -25.152 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.483 -23.648 2.850 1.00 0.00 H new ATOM 1281 N ASP A 79 11.340 -24.143 6.525 1.00 0.00 N ATOM 1282 CA ASP A 79 10.825 -23.341 7.649 1.00 0.00 C ATOM 1283 C ASP A 79 11.982 -22.845 8.539 1.00 0.00 C ATOM 1284 O ASP A 79 11.931 -21.736 9.062 1.00 0.00 O ATOM 1285 CB ASP A 79 9.801 -24.154 8.474 1.00 0.00 C ATOM 1286 CG ASP A 79 9.141 -23.325 9.600 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.269 -22.475 9.297 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.496 -23.504 10.788 1.00 0.00 O ATOM 0 H ASP A 79 11.152 -25.142 6.612 1.00 0.00 H new ATOM 0 HA ASP A 79 10.314 -22.468 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.026 -24.535 7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.299 -25.019 8.911 1.00 0.00 H new ATOM 1293 N GLU A 80 13.031 -23.683 8.684 1.00 0.00 N ATOM 1294 CA GLU A 80 14.257 -23.319 9.429 1.00 0.00 C ATOM 1295 C GLU A 80 15.022 -22.192 8.706 1.00 0.00 C ATOM 1296 O GLU A 80 15.646 -21.339 9.352 1.00 0.00 O ATOM 1297 CB GLU A 80 15.171 -24.553 9.630 1.00 0.00 C ATOM 1298 CG GLU A 80 14.575 -25.665 10.513 1.00 0.00 C ATOM 1299 CD GLU A 80 15.548 -26.832 10.744 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.572 -26.625 11.432 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.304 -27.948 10.234 1.00 0.00 O ATOM 0 H GLU A 80 13.053 -24.624 8.291 1.00 0.00 H new ATOM 0 HA GLU A 80 13.956 -22.955 10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.409 -24.974 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.111 -24.223 10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.287 -25.242 11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.666 -26.044 10.047 1.00 0.00 H new ATOM 1308 N LYS A 81 14.961 -22.201 7.359 1.00 0.00 N ATOM 1309 CA LYS A 81 15.486 -21.095 6.534 1.00 0.00 C ATOM 1310 C LYS A 81 14.739 -19.783 6.853 1.00 0.00 C ATOM 1311 O LYS A 81 15.361 -18.734 7.066 1.00 0.00 O ATOM 1312 CB LYS A 81 15.326 -21.388 5.027 1.00 0.00 C ATOM 1313 CG LYS A 81 16.142 -22.550 4.460 1.00 0.00 C ATOM 1314 CD LYS A 81 16.070 -22.606 2.917 1.00 0.00 C ATOM 1315 CE LYS A 81 16.843 -23.785 2.318 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.262 -25.095 2.712 1.00 0.00 N ATOM 0 H LYS A 81 14.552 -22.964 6.819 1.00 0.00 H new ATOM 0 HA LYS A 81 16.545 -20.995 6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.272 -21.585 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.591 -20.486 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.182 -22.450 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.774 -23.488 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.026 -22.672 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.464 -21.676 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.844 -23.702 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.883 -23.738 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.009 -25.702 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.523 -24.946 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.846 -25.556 1.877 1.00 0.00 H new ATOM 1330 N LEU A 82 13.396 -19.884 6.875 1.00 0.00 N ATOM 1331 CA LEU A 82 12.488 -18.769 7.206 1.00 0.00 C ATOM 1332 C LEU A 82 12.818 -18.176 8.593 1.00 0.00 C ATOM 1333 O LEU A 82 12.772 -16.955 8.778 1.00 0.00 O ATOM 1334 CB LEU A 82 11.019 -19.273 7.175 1.00 0.00 C ATOM 1335 CG LEU A 82 10.464 -19.711 5.781 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.135 -20.487 5.906 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.288 -18.501 4.863 1.00 0.00 C ATOM 0 H LEU A 82 12.906 -20.752 6.661 1.00 0.00 H new ATOM 0 HA LEU A 82 12.620 -17.980 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.933 -20.118 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.378 -18.482 7.565 1.00 0.00 H new ATOM 0 HG LEU A 82 11.199 -20.385 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.785 -20.772 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.292 -21.383 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.388 -19.855 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.901 -18.829 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.587 -17.800 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.251 -18.010 4.719 1.00 0.00 H new ATOM 1349 N GLU A 83 13.172 -19.067 9.547 1.00 0.00 N ATOM 1350 CA GLU A 83 13.584 -18.670 10.902 1.00 0.00 C ATOM 1351 C GLU A 83 14.877 -17.833 10.862 1.00 0.00 C ATOM 1352 O GLU A 83 14.933 -16.766 11.461 1.00 0.00 O ATOM 1353 CB GLU A 83 13.803 -19.904 11.817 1.00 0.00 C ATOM 1354 CG GLU A 83 12.579 -20.812 12.021 1.00 0.00 C ATOM 1355 CD GLU A 83 12.824 -21.915 13.062 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.579 -22.867 12.773 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.271 -21.834 14.181 1.00 0.00 O ATOM 0 H GLU A 83 13.178 -20.076 9.395 1.00 0.00 H new ATOM 0 HA GLU A 83 12.775 -18.067 11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.611 -20.504 11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.139 -19.554 12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.730 -20.205 12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.309 -21.270 11.069 1.00 0.00 H new ATOM 1364 N LEU A 84 15.906 -18.339 10.142 1.00 0.00 N ATOM 1365 CA LEU A 84 17.238 -17.680 10.026 1.00 0.00 C ATOM 1366 C LEU A 84 17.120 -16.254 9.438 1.00 0.00 C ATOM 1367 O LEU A 84 17.769 -15.305 9.915 1.00 0.00 O ATOM 1368 CB LEU A 84 18.187 -18.545 9.152 1.00 0.00 C ATOM 1369 CG LEU A 84 18.581 -19.946 9.737 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.290 -20.814 8.677 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.459 -19.803 11.002 1.00 0.00 C ATOM 0 H LEU A 84 15.841 -19.215 9.624 1.00 0.00 H new ATOM 0 HA LEU A 84 17.654 -17.590 11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.714 -18.699 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.101 -17.978 8.974 1.00 0.00 H new ATOM 0 HG LEU A 84 17.658 -20.449 10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.551 -21.779 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.624 -20.967 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.197 -20.310 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.714 -20.792 11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.373 -19.264 10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.910 -19.252 11.766 1.00 0.00 H new ATOM 1383 N LEU A 85 16.267 -16.122 8.409 1.00 0.00 N ATOM 1384 CA LEU A 85 15.955 -14.827 7.782 1.00 0.00 C ATOM 1385 C LEU A 85 15.281 -13.871 8.799 1.00 0.00 C ATOM 1386 O LEU A 85 15.641 -12.696 8.905 1.00 0.00 O ATOM 1387 CB LEU A 85 15.016 -15.033 6.564 1.00 0.00 C ATOM 1388 CG LEU A 85 15.590 -15.839 5.359 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.504 -16.074 4.289 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.827 -15.141 4.750 1.00 0.00 C ATOM 0 H LEU A 85 15.774 -16.910 7.988 1.00 0.00 H new ATOM 0 HA LEU A 85 16.891 -14.380 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.115 -15.538 6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.711 -14.052 6.201 1.00 0.00 H new ATOM 0 HG LEU A 85 15.913 -16.810 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.928 -16.638 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.679 -16.636 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.137 -15.114 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.201 -15.730 3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.548 -14.147 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.605 -15.053 5.508 1.00 0.00 H new ATOM 1402 N SER A 86 14.301 -14.406 9.549 1.00 0.00 N ATOM 1403 CA SER A 86 13.573 -13.655 10.589 1.00 0.00 C ATOM 1404 C SER A 86 14.440 -13.397 11.841 1.00 0.00 C ATOM 1405 O SER A 86 14.075 -12.573 12.685 1.00 0.00 O ATOM 1406 CB SER A 86 12.298 -14.422 10.970 1.00 0.00 C ATOM 1407 OG SER A 86 11.474 -14.602 9.838 1.00 0.00 O ATOM 0 H SER A 86 13.991 -15.373 9.451 1.00 0.00 H new ATOM 0 HA SER A 86 13.312 -12.679 10.179 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.562 -15.391 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.754 -13.875 11.740 1.00 0.00 H new ATOM 0 HG SER A 86 11.757 -15.405 9.352 1.00 0.00 H new ATOM 1413 N SER A 87 15.563 -14.126 11.962 1.00 0.00 N ATOM 1414 CA SER A 87 16.543 -13.930 13.044 1.00 0.00 C ATOM 1415 C SER A 87 17.493 -12.777 12.699 1.00 0.00 C ATOM 1416 O SER A 87 17.936 -12.047 13.594 1.00 0.00 O ATOM 1417 CB SER A 87 17.355 -15.230 13.293 1.00 0.00 C ATOM 1418 OG SER A 87 16.509 -16.295 13.691 1.00 0.00 O ATOM 0 H SER A 87 15.817 -14.869 11.311 1.00 0.00 H new ATOM 0 HA SER A 87 15.999 -13.681 13.955 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.890 -15.507 12.385 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.105 -15.051 14.063 1.00 0.00 H new ATOM 0 HG SER A 87 15.908 -16.529 12.953 1.00 0.00 H new ATOM 1424 N ASP A 88 17.812 -12.615 11.393 1.00 0.00 N ATOM 1425 CA ASP A 88 18.801 -11.612 10.951 1.00 0.00 C ATOM 1426 C ASP A 88 18.417 -11.001 9.584 1.00 0.00 C ATOM 1427 O ASP A 88 18.281 -11.723 8.595 1.00 0.00 O ATOM 1428 CB ASP A 88 20.195 -12.293 10.876 1.00 0.00 C ATOM 1429 CG ASP A 88 21.385 -11.325 10.908 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.455 -10.418 10.070 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.272 -11.479 11.763 1.00 0.00 O ATOM 0 H ASP A 88 17.402 -13.162 10.636 1.00 0.00 H new ATOM 0 HA ASP A 88 18.825 -10.792 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.289 -12.990 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.248 -12.882 9.960 1.00 0.00 H new ATOM 1436 N GLY A 89 18.304 -9.656 9.543 1.00 0.00 N ATOM 1437 CA GLY A 89 17.970 -8.923 8.313 1.00 0.00 C ATOM 1438 C GLY A 89 19.142 -8.781 7.344 1.00 0.00 C ATOM 1439 O GLY A 89 18.933 -8.546 6.153 1.00 0.00 O ATOM 0 H GLY A 89 18.441 -9.056 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.152 -9.435 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.608 -7.930 8.580 1.00 0.00 H new ATOM 1443 N MET A 90 20.377 -8.893 7.863 1.00 0.00 N ATOM 1444 CA MET A 90 21.601 -8.920 7.030 1.00 0.00 C ATOM 1445 C MET A 90 21.794 -10.321 6.407 1.00 0.00 C ATOM 1446 O MET A 90 22.513 -10.465 5.414 1.00 0.00 O ATOM 1447 CB MET A 90 22.857 -8.528 7.859 1.00 0.00 C ATOM 1448 CG MET A 90 22.809 -7.168 8.591 1.00 0.00 C ATOM 1449 SD MET A 90 22.979 -5.727 7.497 1.00 0.00 S ATOM 1450 CE MET A 90 21.305 -5.432 6.939 1.00 0.00 C ATOM 0 H MET A 90 20.559 -8.967 8.864 1.00 0.00 H new ATOM 0 HA MET A 90 21.479 -8.187 6.232 1.00 0.00 H new ATOM 0 HB2 MET A 90 23.032 -9.307 8.601 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.718 -8.525 7.191 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.865 -7.091 9.130 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.604 -7.141 9.336 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.300 -5.304 5.857 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.677 -6.282 7.207 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.917 -4.531 7.413 1.00 0.00 H new ATOM 1460 N LEU A 91 21.173 -11.357 7.029 1.00 0.00 N ATOM 1461 CA LEU A 91 21.066 -12.703 6.424 1.00 0.00 C ATOM 1462 C LEU A 91 20.092 -12.688 5.243 1.00 0.00 C ATOM 1463 O LEU A 91 20.214 -13.513 4.342 1.00 0.00 O ATOM 1464 CB LEU A 91 20.646 -13.788 7.461 1.00 0.00 C ATOM 1465 CG LEU A 91 21.794 -14.379 8.339 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.282 -15.511 9.263 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.949 -14.864 7.444 1.00 0.00 C ATOM 0 H LEU A 91 20.740 -11.282 7.949 1.00 0.00 H new ATOM 0 HA LEU A 91 22.059 -12.969 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.895 -13.357 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.167 -14.608 6.925 1.00 0.00 H new ATOM 0 HG LEU A 91 22.168 -13.587 8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.109 -15.897 9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.510 -15.119 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.865 -16.315 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.744 -15.274 8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.584 -15.636 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.337 -14.026 6.865 1.00 0.00 H new ATOM 1479 N VAL A 92 19.117 -11.768 5.281 1.00 0.00 N ATOM 1480 CA VAL A 92 18.226 -11.517 4.135 1.00 0.00 C ATOM 1481 C VAL A 92 18.925 -10.539 3.172 1.00 0.00 C ATOM 1482 O VAL A 92 19.836 -9.796 3.577 1.00 0.00 O ATOM 1483 CB VAL A 92 16.820 -10.927 4.561 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.756 -11.125 3.445 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.331 -11.517 5.896 1.00 0.00 C ATOM 0 H VAL A 92 18.924 -11.183 6.094 1.00 0.00 H new ATOM 0 HA VAL A 92 18.031 -12.475 3.653 1.00 0.00 H new ATOM 0 HB VAL A 92 16.958 -9.856 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.804 -10.708 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.082 -10.617 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.636 -12.189 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.363 -11.086 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.233 -12.598 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 92 17.050 -11.285 6.681 1.00 0.00 H new ATOM 1495 N LYS A 93 18.522 -10.559 1.895 1.00 0.00 N ATOM 1496 CA LYS A 93 18.991 -9.589 0.905 1.00 0.00 C ATOM 1497 C LYS A 93 18.452 -8.195 1.260 1.00 0.00 C ATOM 1498 O LYS A 93 17.231 -8.008 1.340 1.00 0.00 O ATOM 1499 CB LYS A 93 18.539 -9.994 -0.522 1.00 0.00 C ATOM 1500 CG LYS A 93 19.177 -11.298 -1.062 1.00 0.00 C ATOM 1501 CD LYS A 93 20.701 -11.177 -1.321 1.00 0.00 C ATOM 1502 CE LYS A 93 21.051 -10.172 -2.428 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.517 -10.116 -2.671 1.00 0.00 N ATOM 0 H LYS A 93 17.865 -11.245 1.523 1.00 0.00 H new ATOM 0 HA LYS A 93 20.081 -9.570 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.455 -10.109 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.776 -9.180 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.000 -12.103 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.680 -11.580 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.197 -10.877 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.096 -12.157 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.539 -10.451 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.689 -9.182 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.718 -9.428 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.003 -9.826 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.857 -11.055 -2.961 1.00 0.00 H new ATOM 1517 N ARG A 94 19.381 -7.245 1.508 1.00 0.00 N ATOM 1518 CA ARG A 94 19.037 -5.831 1.717 1.00 0.00 C ATOM 1519 C ARG A 94 18.232 -5.281 0.512 1.00 0.00 C ATOM 1520 O ARG A 94 17.192 -4.684 0.738 1.00 0.00 O ATOM 1521 CB ARG A 94 20.296 -4.953 2.001 1.00 0.00 C ATOM 1522 CG ARG A 94 21.126 -5.381 3.231 1.00 0.00 C ATOM 1523 CD ARG A 94 22.328 -4.451 3.488 1.00 0.00 C ATOM 1524 NE ARG A 94 23.285 -4.468 2.366 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.074 -3.448 1.996 1.00 0.00 C ATOM 1526 NH1 ARG A 94 24.021 -2.277 2.613 1.00 0.00 N ATOM 1527 NH2 ARG A 94 24.923 -3.609 0.994 1.00 0.00 N ATOM 0 H ARG A 94 20.380 -7.440 1.567 1.00 0.00 H new ATOM 0 HA ARG A 94 18.409 -5.777 2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.940 -4.973 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.977 -3.920 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.484 -5.391 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.484 -6.400 3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 94 21.972 -3.433 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.835 -4.757 4.403 1.00 0.00 H new ATOM 0 HE ARG A 94 23.353 -5.330 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 94 23.371 -2.137 3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 94 24.630 -1.515 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.975 -4.504 0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 94 25.526 -2.838 0.707 1.00 0.00 H new ATOM 1541 N PRO A 95 18.670 -5.478 -0.790 1.00 0.00 N ATOM 1542 CA PRO A 95 17.826 -5.132 -1.955 1.00 0.00 C ATOM 1543 C PRO A 95 16.715 -6.177 -2.174 1.00 0.00 C ATOM 1544 O PRO A 95 16.967 -7.270 -2.708 1.00 0.00 O ATOM 1545 CB PRO A 95 18.828 -5.087 -3.153 1.00 0.00 C ATOM 1546 CG PRO A 95 20.190 -5.213 -2.534 1.00 0.00 C ATOM 1547 CD PRO A 95 19.982 -5.998 -1.265 1.00 0.00 C ATOM 0 HA PRO A 95 17.300 -4.186 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.638 -5.899 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.734 -4.155 -3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.880 -5.725 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.618 -4.233 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.952 -7.072 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.777 -5.821 -0.541 1.00 0.00 H new ATOM 1555 N LEU A 96 15.506 -5.849 -1.702 1.00 0.00 N ATOM 1556 CA LEU A 96 14.295 -6.650 -1.931 1.00 0.00 C ATOM 1557 C LEU A 96 13.115 -5.680 -2.067 1.00 0.00 C ATOM 1558 O LEU A 96 13.095 -4.622 -1.454 1.00 0.00 O ATOM 1559 CB LEU A 96 14.089 -7.702 -0.777 1.00 0.00 C ATOM 1560 CG LEU A 96 12.787 -8.619 -0.828 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.025 -10.006 -0.179 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.564 -7.956 -0.158 1.00 0.00 C ATOM 0 H LEU A 96 15.338 -5.012 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 96 14.382 -7.234 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.960 -8.358 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.081 -7.162 0.170 1.00 0.00 H new ATOM 0 HG LEU A 96 12.573 -8.751 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.111 -10.596 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.825 -10.523 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.307 -9.875 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.706 -8.626 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.788 -7.753 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.333 -7.020 -0.667 1.00 0.00 H new ATOM 1574 N ALA A 97 12.165 -6.037 -2.911 1.00 0.00 N ATOM 1575 CA ALA A 97 10.892 -5.334 -3.040 1.00 0.00 C ATOM 1576 C ALA A 97 9.832 -6.401 -3.276 1.00 0.00 C ATOM 1577 O ALA A 97 9.996 -7.223 -4.173 1.00 0.00 O ATOM 1578 CB ALA A 97 10.954 -4.300 -4.180 1.00 0.00 C ATOM 0 H ALA A 97 12.253 -6.836 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 97 10.652 -4.765 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.995 -3.788 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.738 -3.573 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.173 -4.807 -5.120 1.00 0.00 H new ATOM 1584 N VAL A 98 8.794 -6.436 -2.440 1.00 0.00 N ATOM 1585 CA VAL A 98 7.735 -7.454 -2.521 1.00 0.00 C ATOM 1586 C VAL A 98 6.347 -6.796 -2.463 1.00 0.00 C ATOM 1587 O VAL A 98 6.178 -5.714 -1.901 1.00 0.00 O ATOM 1588 CB VAL A 98 7.900 -8.536 -1.377 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.721 -7.940 0.042 1.00 0.00 C ATOM 1590 CG2 VAL A 98 6.968 -9.756 -1.597 1.00 0.00 C ATOM 0 H VAL A 98 8.660 -5.762 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 98 7.828 -7.967 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 98 8.929 -8.889 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.845 -8.727 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.468 -7.164 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.724 -7.509 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.113 -10.474 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.930 -9.424 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.206 -10.228 -2.550 1.00 0.00 H new ATOM 1600 N MET A 99 5.377 -7.457 -3.080 1.00 0.00 N ATOM 1601 CA MET A 99 3.958 -7.078 -3.060 1.00 0.00 C ATOM 1602 C MET A 99 3.144 -8.368 -2.783 1.00 0.00 C ATOM 1603 O MET A 99 3.724 -9.361 -2.318 1.00 0.00 O ATOM 1604 CB MET A 99 3.564 -6.415 -4.417 1.00 0.00 C ATOM 1605 CG MET A 99 2.415 -5.391 -4.333 1.00 0.00 C ATOM 1606 SD MET A 99 1.490 -5.234 -5.886 1.00 0.00 S ATOM 1607 CE MET A 99 2.769 -4.769 -7.053 1.00 0.00 C ATOM 0 H MET A 99 5.555 -8.299 -3.627 1.00 0.00 H new ATOM 0 HA MET A 99 3.750 -6.343 -2.282 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.442 -5.920 -4.831 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.281 -7.200 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.731 -5.685 -3.537 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.822 -4.418 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.322 -4.591 -8.031 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.263 -3.860 -6.709 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.501 -5.573 -7.130 1.00 0.00 H new ATOM 1617 N GLY A 100 1.822 -8.366 -3.059 1.00 0.00 N ATOM 1618 CA GLY A 100 0.975 -9.548 -2.843 1.00 0.00 C ATOM 1619 C GLY A 100 1.475 -10.803 -3.564 1.00 0.00 C ATOM 1620 O GLY A 100 1.826 -11.789 -2.916 1.00 0.00 O ATOM 0 H GLY A 100 1.323 -7.558 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.917 -9.752 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.037 -9.325 -3.180 1.00 0.00 H new ATOM 1624 N ASP A 101 1.542 -10.753 -4.907 1.00 0.00 N ATOM 1625 CA ASP A 101 1.983 -11.903 -5.743 1.00 0.00 C ATOM 1626 C ASP A 101 3.224 -11.548 -6.596 1.00 0.00 C ATOM 1627 O ASP A 101 3.688 -12.371 -7.392 1.00 0.00 O ATOM 1628 CB ASP A 101 0.818 -12.366 -6.658 1.00 0.00 C ATOM 1629 CG ASP A 101 0.501 -11.384 -7.807 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.358 -10.166 -7.545 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.418 -11.815 -8.980 1.00 0.00 O ATOM 0 H ASP A 101 1.295 -9.924 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 101 2.266 -12.716 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.066 -13.339 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.077 -12.501 -6.051 1.00 0.00 H new ATOM 1636 N LYS A 102 3.758 -10.326 -6.416 1.00 0.00 N ATOM 1637 CA LYS A 102 4.931 -9.814 -7.177 1.00 0.00 C ATOM 1638 C LYS A 102 6.157 -9.688 -6.240 1.00 0.00 C ATOM 1639 O LYS A 102 5.981 -9.434 -5.052 1.00 0.00 O ATOM 1640 CB LYS A 102 4.595 -8.426 -7.786 1.00 0.00 C ATOM 1641 CG LYS A 102 3.368 -8.365 -8.712 1.00 0.00 C ATOM 1642 CD LYS A 102 3.496 -9.250 -9.972 1.00 0.00 C ATOM 1643 CE LYS A 102 2.334 -9.023 -10.957 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.005 -9.236 -10.321 1.00 0.00 N ATOM 0 H LYS A 102 3.392 -9.657 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 102 5.166 -10.514 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.441 -7.722 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.463 -8.079 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.485 -8.672 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.207 -7.332 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.441 -9.036 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.522 -10.299 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.387 -8.008 -11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.441 -9.700 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.256 -9.105 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.954 -10.201 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.875 -8.550 -9.550 1.00 0.00 H new ATOM 1658 N ILE A 103 7.393 -9.856 -6.774 1.00 0.00 N ATOM 1659 CA ILE A 103 8.646 -9.685 -5.980 1.00 0.00 C ATOM 1660 C ILE A 103 9.889 -9.530 -6.899 1.00 0.00 C ATOM 1661 O ILE A 103 9.912 -10.052 -8.022 1.00 0.00 O ATOM 1662 CB ILE A 103 8.867 -10.876 -4.956 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.988 -10.547 -3.909 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.167 -12.198 -5.700 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.120 -11.548 -2.769 1.00 0.00 C ATOM 0 H ILE A 103 7.553 -10.109 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 103 8.526 -8.766 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 103 7.938 -11.004 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.943 -10.485 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.791 -9.562 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.314 -12.998 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.329 -12.448 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.070 -12.081 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.920 -11.233 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.182 -11.595 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.352 -12.533 -3.175 1.00 0.00 H new ATOM 1677 N THR A 104 10.911 -8.796 -6.401 1.00 0.00 N ATOM 1678 CA THR A 104 12.214 -8.586 -7.066 1.00 0.00 C ATOM 1679 C THR A 104 13.347 -8.656 -6.016 1.00 0.00 C ATOM 1680 O THR A 104 13.221 -8.066 -4.932 1.00 0.00 O ATOM 1681 CB THR A 104 12.272 -7.200 -7.797 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.889 -6.141 -6.900 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.376 -7.150 -9.044 1.00 0.00 C ATOM 0 H THR A 104 10.848 -8.321 -5.500 1.00 0.00 H new ATOM 0 HA THR A 104 12.340 -9.370 -7.812 1.00 0.00 H new ATOM 0 HB THR A 104 13.304 -7.065 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.375 -5.323 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.455 -6.168 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.695 -7.915 -9.752 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.341 -7.332 -8.756 1.00 0.00 H new ATOM 1691 N LEU A 105 14.429 -9.400 -6.333 1.00 0.00 N ATOM 1692 CA LEU A 105 15.638 -9.521 -5.470 1.00 0.00 C ATOM 1693 C LEU A 105 16.877 -8.963 -6.199 1.00 0.00 C ATOM 1694 O LEU A 105 17.043 -9.185 -7.406 1.00 0.00 O ATOM 1695 CB LEU A 105 15.891 -11.008 -5.042 1.00 0.00 C ATOM 1696 CG LEU A 105 15.176 -11.515 -3.757 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.642 -10.726 -2.528 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.642 -11.496 -3.902 1.00 0.00 C ATOM 0 H LEU A 105 14.495 -9.938 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 105 15.460 -8.936 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.593 -11.652 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.964 -11.141 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 105 15.459 -12.558 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.129 -11.098 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.718 -10.849 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.411 -9.670 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.185 -11.858 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.308 -10.477 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.347 -12.139 -4.731 1.00 0.00 H new ATOM 1710 N GLY A 106 17.747 -8.259 -5.437 1.00 0.00 N ATOM 1711 CA GLY A 106 18.966 -7.637 -5.979 1.00 0.00 C ATOM 1712 C GLY A 106 18.675 -6.444 -6.892 1.00 0.00 C ATOM 1713 O GLY A 106 17.516 -6.217 -7.277 1.00 0.00 O ATOM 0 H GLY A 106 17.620 -8.110 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.598 -7.310 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.531 -8.384 -6.536 1.00 0.00 H new ATOM 1717 N PHE A 107 19.716 -5.651 -7.242 1.00 0.00 N ATOM 1718 CA PHE A 107 19.557 -4.567 -8.223 1.00 0.00 C ATOM 1719 C PHE A 107 19.489 -5.169 -9.630 1.00 0.00 C ATOM 1720 O PHE A 107 20.518 -5.493 -10.234 1.00 0.00 O ATOM 1721 CB PHE A 107 20.677 -3.485 -8.172 1.00 0.00 C ATOM 1722 CG PHE A 107 20.379 -2.298 -9.111 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.433 -1.331 -8.758 1.00 0.00 C ATOM 1724 CD2 PHE A 107 21.004 -2.174 -10.358 1.00 0.00 C ATOM 1725 CE1 PHE A 107 19.130 -0.283 -9.611 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.703 -1.122 -11.206 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.762 -0.178 -10.834 1.00 0.00 C ATOM 0 H PHE A 107 20.658 -5.744 -6.863 1.00 0.00 H new ATOM 0 HA PHE A 107 18.632 -4.052 -7.964 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.783 -3.121 -7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.630 -3.936 -8.450 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.930 -1.402 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.732 -2.911 -10.663 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.397 0.454 -9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 107 21.203 -1.038 -12.159 1.00 0.00 H new ATOM 0 HZ PHE A 107 19.523 0.639 -11.499 1.00 0.00 H new ATOM 1737 N LYS A 108 18.266 -5.378 -10.102 1.00 0.00 N ATOM 1738 CA LYS A 108 17.979 -5.649 -11.507 1.00 0.00 C ATOM 1739 C LYS A 108 16.877 -4.687 -11.932 1.00 0.00 C ATOM 1740 O LYS A 108 15.701 -4.927 -11.647 1.00 0.00 O ATOM 1741 CB LYS A 108 17.554 -7.121 -11.743 1.00 0.00 C ATOM 1742 CG LYS A 108 18.663 -8.164 -11.489 1.00 0.00 C ATOM 1743 CD LYS A 108 18.197 -9.597 -11.814 1.00 0.00 C ATOM 1744 CE LYS A 108 19.313 -10.639 -11.664 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.410 -10.417 -12.641 1.00 0.00 N ATOM 0 H LYS A 108 17.434 -5.364 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 108 18.879 -5.500 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.707 -7.348 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.207 -7.224 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.535 -7.920 -12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.976 -8.113 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.369 -9.862 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.815 -9.626 -12.834 1.00 0.00 H new ATOM 0 HE2 LYS A 108 19.714 -10.599 -10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 108 18.899 -11.638 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.058 -11.230 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.009 -10.312 -13.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 20.931 -9.554 -12.387 1.00 0.00 H new ATOM 1759 N GLU A 109 17.280 -3.567 -12.557 1.00 0.00 N ATOM 1760 CA GLU A 109 16.352 -2.563 -13.117 1.00 0.00 C ATOM 1761 C GLU A 109 15.384 -3.221 -14.123 1.00 0.00 C ATOM 1762 O GLU A 109 14.231 -2.796 -14.265 1.00 0.00 O ATOM 1763 CB GLU A 109 17.164 -1.431 -13.801 1.00 0.00 C ATOM 1764 CG GLU A 109 16.306 -0.308 -14.425 1.00 0.00 C ATOM 1765 CD GLU A 109 17.107 0.684 -15.285 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.619 0.272 -16.348 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.229 1.872 -14.905 1.00 0.00 O ATOM 0 H GLU A 109 18.263 -3.330 -12.690 1.00 0.00 H new ATOM 0 HA GLU A 109 15.758 -2.136 -12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.837 -0.990 -13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.787 -1.869 -14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.526 -0.759 -15.039 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.806 0.240 -13.626 1.00 0.00 H new ATOM 1774 N ASP A 110 15.875 -4.289 -14.778 1.00 0.00 N ATOM 1775 CA ASP A 110 15.102 -5.071 -15.746 1.00 0.00 C ATOM 1776 C ASP A 110 13.933 -5.787 -15.046 1.00 0.00 C ATOM 1777 O ASP A 110 12.802 -5.726 -15.515 1.00 0.00 O ATOM 1778 CB ASP A 110 16.021 -6.091 -16.455 1.00 0.00 C ATOM 1779 CG ASP A 110 15.297 -6.895 -17.550 1.00 0.00 C ATOM 1780 OD1 ASP A 110 15.164 -6.382 -18.685 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.853 -8.036 -17.283 1.00 0.00 O ATOM 0 H ASP A 110 16.827 -4.632 -14.646 1.00 0.00 H new ATOM 0 HA ASP A 110 14.688 -4.396 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.866 -5.564 -16.898 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.428 -6.780 -15.715 1.00 0.00 H new ATOM 1786 N GLN A 111 14.221 -6.464 -13.916 1.00 0.00 N ATOM 1787 CA GLN A 111 13.192 -7.137 -13.108 1.00 0.00 C ATOM 1788 C GLN A 111 12.247 -6.118 -12.443 1.00 0.00 C ATOM 1789 O GLN A 111 11.056 -6.389 -12.318 1.00 0.00 O ATOM 1790 CB GLN A 111 13.842 -8.048 -12.042 1.00 0.00 C ATOM 1791 CG GLN A 111 14.680 -9.197 -12.625 1.00 0.00 C ATOM 1792 CD GLN A 111 13.852 -10.247 -13.372 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.612 -10.133 -14.574 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.424 -11.287 -12.666 1.00 0.00 N ATOM 0 H GLN A 111 15.166 -6.557 -13.543 1.00 0.00 H new ATOM 0 HA GLN A 111 12.598 -7.758 -13.779 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.477 -7.440 -11.398 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.058 -8.468 -11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.424 -8.783 -13.305 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.224 -9.685 -11.816 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.640 -11.352 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.879 -12.021 -13.118 1.00 0.00 H new ATOM 1803 N TYR A 112 12.786 -4.952 -12.026 1.00 0.00 N ATOM 1804 CA TYR A 112 11.979 -3.883 -11.398 1.00 0.00 C ATOM 1805 C TYR A 112 10.890 -3.396 -12.375 1.00 0.00 C ATOM 1806 O TYR A 112 9.711 -3.327 -12.022 1.00 0.00 O ATOM 1807 CB TYR A 112 12.853 -2.683 -10.931 1.00 0.00 C ATOM 1808 CG TYR A 112 13.841 -2.957 -9.777 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.532 -3.835 -8.735 1.00 0.00 C ATOM 1810 CD2 TYR A 112 15.078 -2.305 -9.718 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.419 -4.053 -7.691 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.962 -2.527 -8.683 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.630 -3.399 -7.671 1.00 0.00 C ATOM 1814 OH TYR A 112 16.515 -3.604 -6.629 1.00 0.00 O ATOM 0 H TYR A 112 13.777 -4.727 -12.113 1.00 0.00 H new ATOM 0 HA TYR A 112 11.510 -4.309 -10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.421 -2.321 -11.788 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.188 -1.875 -10.626 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.585 -4.354 -8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.347 -1.612 -10.501 1.00 0.00 H new ATOM 0 HE1 TYR A 112 14.160 -4.735 -6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.914 -2.017 -8.667 1.00 0.00 H new ATOM 0 HH TYR A 112 16.926 -4.489 -6.719 1.00 0.00 H new ATOM 1824 N LYS A 113 11.283 -3.103 -13.625 1.00 0.00 N ATOM 1825 CA LYS A 113 10.320 -2.668 -14.645 1.00 0.00 C ATOM 1826 C LYS A 113 9.406 -3.837 -15.059 1.00 0.00 C ATOM 1827 O LYS A 113 8.229 -3.646 -15.269 1.00 0.00 O ATOM 1828 CB LYS A 113 11.026 -1.974 -15.859 1.00 0.00 C ATOM 1829 CG LYS A 113 11.972 -2.840 -16.737 1.00 0.00 C ATOM 1830 CD LYS A 113 11.232 -3.621 -17.844 1.00 0.00 C ATOM 1831 CE LYS A 113 12.141 -4.538 -18.668 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.364 -5.310 -19.675 1.00 0.00 N ATOM 0 H LYS A 113 12.248 -3.159 -13.949 1.00 0.00 H new ATOM 0 HA LYS A 113 9.678 -1.903 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.252 -1.562 -16.506 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.602 -1.132 -15.475 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.722 -2.196 -17.196 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.505 -3.545 -16.099 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.444 -4.221 -17.388 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.745 -2.911 -18.513 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.901 -3.942 -19.172 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.664 -5.226 -18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.006 -5.664 -20.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.895 -6.113 -19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.647 -4.693 -20.107 1.00 0.00 H new ATOM 1846 N GLU A 114 9.948 -5.057 -15.111 1.00 0.00 N ATOM 1847 CA GLU A 114 9.209 -6.228 -15.616 1.00 0.00 C ATOM 1848 C GLU A 114 8.115 -6.696 -14.624 1.00 0.00 C ATOM 1849 O GLU A 114 7.059 -7.183 -15.041 1.00 0.00 O ATOM 1850 CB GLU A 114 10.196 -7.381 -15.941 1.00 0.00 C ATOM 1851 CG GLU A 114 9.593 -8.539 -16.758 1.00 0.00 C ATOM 1852 CD GLU A 114 9.014 -8.082 -18.111 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.812 -7.730 -19.018 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.776 -8.082 -18.279 1.00 0.00 O ATOM 0 H GLU A 114 10.900 -5.265 -14.809 1.00 0.00 H new ATOM 0 HA GLU A 114 8.698 -5.931 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.043 -6.971 -16.490 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.586 -7.781 -15.005 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.362 -9.292 -16.933 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.806 -9.017 -16.175 1.00 0.00 H new ATOM 1861 N THR A 115 8.365 -6.515 -13.319 1.00 0.00 N ATOM 1862 CA THR A 115 7.488 -7.040 -12.254 1.00 0.00 C ATOM 1863 C THR A 115 6.534 -5.949 -11.710 1.00 0.00 C ATOM 1864 O THR A 115 5.387 -6.246 -11.366 1.00 0.00 O ATOM 1865 CB THR A 115 8.354 -7.639 -11.094 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.306 -8.567 -11.644 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.525 -8.361 -10.015 1.00 0.00 C ATOM 0 H THR A 115 9.176 -6.004 -12.970 1.00 0.00 H new ATOM 0 HA THR A 115 6.871 -7.829 -12.685 1.00 0.00 H new ATOM 0 HB THR A 115 8.848 -6.797 -10.608 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.082 -8.076 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.191 -8.750 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.822 -7.659 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.975 -9.185 -10.469 1.00 0.00 H new ATOM 1875 N TRP A 116 7.013 -4.688 -11.639 1.00 0.00 N ATOM 1876 CA TRP A 116 6.228 -3.565 -11.063 1.00 0.00 C ATOM 1877 C TRP A 116 5.554 -2.719 -12.164 1.00 0.00 C ATOM 1878 O TRP A 116 4.464 -2.174 -11.956 1.00 0.00 O ATOM 1879 CB TRP A 116 7.130 -2.642 -10.181 1.00 0.00 C ATOM 1880 CG TRP A 116 8.004 -3.375 -9.172 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.360 -3.265 -9.024 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.577 -4.307 -8.175 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.798 -4.108 -8.044 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.728 -4.748 -7.501 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.347 -4.827 -7.790 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.670 -5.671 -6.480 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.299 -5.737 -6.767 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.458 -6.159 -6.121 1.00 0.00 C ATOM 0 H TRP A 116 7.939 -4.418 -11.972 1.00 0.00 H new ATOM 0 HA TRP A 116 5.452 -4.010 -10.440 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.772 -2.053 -10.836 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.492 -1.940 -9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 116 9.993 -2.606 -9.600 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.770 -4.237 -7.764 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.441 -4.518 -8.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.569 -5.998 -5.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.344 -6.134 -6.456 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.390 -6.884 -5.324 1.00 0.00 H new ATOM 1899 N LEU A 117 6.220 -2.604 -13.337 1.00 0.00 N ATOM 1900 CA LEU A 117 5.862 -1.608 -14.378 1.00 0.00 C ATOM 1901 C LEU A 117 5.478 -2.303 -15.715 1.00 0.00 C ATOM 1902 O LEU A 117 4.357 -2.810 -15.840 1.00 0.00 O ATOM 1903 CB LEU A 117 7.052 -0.616 -14.545 1.00 0.00 C ATOM 1904 CG LEU A 117 7.534 0.071 -13.230 1.00 0.00 C ATOM 1905 CD1 LEU A 117 8.878 0.789 -13.420 1.00 0.00 C ATOM 1906 CD2 LEU A 117 6.464 1.034 -12.692 1.00 0.00 C ATOM 0 H LEU A 117 7.014 -3.193 -13.588 1.00 0.00 H new ATOM 0 HA LEU A 117 4.980 -1.048 -14.069 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.893 -1.153 -14.985 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.762 0.158 -15.255 1.00 0.00 H new ATOM 0 HG LEU A 117 7.690 -0.714 -12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.178 1.254 -12.481 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.636 0.068 -13.726 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.776 1.556 -14.188 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.823 1.501 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.261 1.804 -13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.548 0.481 -12.483 1.00 0.00 H new