USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=30 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 58 ASN : amide:sc= -0.526 X(o=0.41,f=0.52) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -173:sc= 0.934 (180deg=0.888) USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= 1.04 F(o=-0.12,f=1.7) USER MOD Set 2.2: A 35 HIS : no HE2:sc= 0.642 K(o=1.7,f=-0.84) USER MOD Single : A 3 LYS NZ :NH3+ -111:sc= 0.52 (180deg=-0.0246) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 6 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.71) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.948 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.0136 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00787 X(o=-0.0079,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0.699 (180deg=0.639) USER MOD Single : A 44 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0109 F(o=-1.6,f=-0.011) USER MOD Single : A 49 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 54 ASN : amide:sc= -0.249 K(o=-0.25,f=-0.97) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= -0.467 (180deg=-1.4) USER MOD Single : A 64 TYR OH : rot -30:sc= -0.211 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.785 F(o=-1.1,f=0.79) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0.628 (180deg=0.61) USER MOD Single : A 86 SER OG : rot 81:sc= 1.04 USER MOD Single : A 87 SER OG : rot 71:sc= 1.15 USER MOD Single : A 90 MET CE :methyl -166:sc= -2.53 (180deg=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 165:sc= -0.913 (180deg=-1.6) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 0.308 (180deg=0.302) USER MOD Single : A 104 THR OG1 : rot 131:sc= 0.456 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.04) USER MOD Single : A 112 TYR OH : rot 22:sc= 0.505 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 81:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 4.223 -1.039 -2.632 1.00 0.00 N ATOM 19 CA ILE A 2 5.368 -1.961 -2.571 1.00 0.00 C ATOM 20 C ILE A 2 6.088 -1.858 -1.216 1.00 0.00 C ATOM 21 O ILE A 2 6.543 -0.788 -0.843 1.00 0.00 O ATOM 22 CB ILE A 2 6.409 -1.669 -3.717 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.728 -1.737 -5.116 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.620 -2.638 -3.640 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.629 -1.345 -6.271 1.00 0.00 C ATOM 0 HA ILE A 2 4.967 -2.966 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 2 6.787 -0.657 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.366 -2.752 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.855 -1.084 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.320 -2.410 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.120 -2.519 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.271 -3.665 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.075 -1.421 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.971 -0.319 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.490 -2.013 -6.304 1.00 0.00 H new ATOM 37 N LYS A 3 6.164 -2.976 -0.498 1.00 0.00 N ATOM 38 CA LYS A 3 7.002 -3.099 0.702 1.00 0.00 C ATOM 39 C LYS A 3 8.481 -3.144 0.276 1.00 0.00 C ATOM 40 O LYS A 3 9.063 -4.224 0.088 1.00 0.00 O ATOM 41 CB LYS A 3 6.605 -4.379 1.486 1.00 0.00 C ATOM 42 CG LYS A 3 5.119 -4.441 1.880 1.00 0.00 C ATOM 43 CD LYS A 3 4.738 -3.389 2.942 1.00 0.00 C ATOM 44 CE LYS A 3 3.235 -3.381 3.256 1.00 0.00 C ATOM 45 NZ LYS A 3 2.908 -2.429 4.349 1.00 0.00 N ATOM 0 H LYS A 3 5.648 -3.825 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 3 6.852 -2.241 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.845 -5.252 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.212 -4.441 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.506 -4.292 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.890 -5.436 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.295 -3.585 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.037 -2.401 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.677 -3.111 2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.917 -4.384 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.618 -2.959 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.746 -1.854 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.131 -1.807 4.047 1.00 0.00 H new ATOM 59 N PHE A 4 9.057 -1.950 0.053 1.00 0.00 N ATOM 60 CA PHE A 4 10.458 -1.812 -0.362 1.00 0.00 C ATOM 61 C PHE A 4 11.341 -1.883 0.882 1.00 0.00 C ATOM 62 O PHE A 4 11.541 -0.881 1.584 1.00 0.00 O ATOM 63 CB PHE A 4 10.701 -0.495 -1.159 1.00 0.00 C ATOM 64 CG PHE A 4 12.166 -0.256 -1.571 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.821 -1.136 -2.442 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.892 0.836 -1.081 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.143 -0.928 -2.807 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.210 1.040 -1.449 1.00 0.00 C ATOM 69 CZ PHE A 4 14.835 0.159 -2.312 1.00 0.00 C ATOM 0 H PHE A 4 8.566 -1.062 0.155 1.00 0.00 H new ATOM 0 HA PHE A 4 10.713 -2.627 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.083 -0.510 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.365 0.347 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.289 -1.989 -2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.416 1.530 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.632 -1.618 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.752 1.890 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.864 0.321 -2.599 1.00 0.00 H new ATOM 79 N TYR A 5 11.812 -3.093 1.185 1.00 0.00 N ATOM 80 CA TYR A 5 12.764 -3.304 2.261 1.00 0.00 C ATOM 81 C TYR A 5 14.134 -2.752 1.840 1.00 0.00 C ATOM 82 O TYR A 5 14.546 -2.879 0.678 1.00 0.00 O ATOM 83 CB TYR A 5 12.832 -4.793 2.661 1.00 0.00 C ATOM 84 CG TYR A 5 11.593 -5.269 3.448 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.456 -5.746 2.797 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.570 -5.237 4.849 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.349 -6.176 3.501 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.464 -5.663 5.558 1.00 0.00 C ATOM 89 CZ TYR A 5 9.355 -6.136 4.879 1.00 0.00 C ATOM 90 OH TYR A 5 8.250 -6.570 5.583 1.00 0.00 O ATOM 0 H TYR A 5 11.543 -3.945 0.692 1.00 0.00 H new ATOM 0 HA TYR A 5 12.435 -2.764 3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 5 12.938 -5.400 1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.724 -4.960 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.441 -5.780 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.434 -4.872 5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.481 -6.543 2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.465 -5.627 6.637 1.00 0.00 H new ATOM 0 HH TYR A 5 8.417 -6.477 6.544 1.00 0.00 H new ATOM 100 N GLN A 6 14.798 -2.116 2.796 1.00 0.00 N ATOM 101 CA GLN A 6 16.078 -1.442 2.607 1.00 0.00 C ATOM 102 C GLN A 6 16.771 -1.351 3.962 1.00 0.00 C ATOM 103 O GLN A 6 16.178 -1.696 4.979 1.00 0.00 O ATOM 104 CB GLN A 6 15.858 -0.028 1.956 1.00 0.00 C ATOM 105 CG GLN A 6 14.834 0.902 2.673 1.00 0.00 C ATOM 106 CD GLN A 6 15.346 1.577 3.961 1.00 0.00 C ATOM 107 OE1 GLN A 6 16.528 1.890 4.091 1.00 0.00 O ATOM 108 NE2 GLN A 6 14.462 1.784 4.927 1.00 0.00 N ATOM 0 H GLN A 6 14.451 -2.052 3.753 1.00 0.00 H new ATOM 0 HA GLN A 6 16.714 -2.004 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 6 16.819 0.485 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.530 -0.171 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.523 1.679 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.946 0.318 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.487 1.515 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.756 2.213 5.804 1.00 0.00 H new ATOM 117 N TYR A 7 18.021 -0.897 3.965 1.00 0.00 N ATOM 118 CA TYR A 7 18.754 -0.550 5.190 1.00 0.00 C ATOM 119 C TYR A 7 20.077 0.079 4.792 1.00 0.00 C ATOM 120 O TYR A 7 20.867 -0.574 4.098 1.00 0.00 O ATOM 121 CB TYR A 7 19.004 -1.784 6.108 1.00 0.00 C ATOM 122 CG TYR A 7 19.651 -1.442 7.457 1.00 0.00 C ATOM 123 CD1 TYR A 7 18.915 -0.821 8.475 1.00 0.00 C ATOM 124 CD2 TYR A 7 20.991 -1.741 7.718 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.492 -0.511 9.694 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.568 -1.437 8.931 1.00 0.00 C ATOM 127 CZ TYR A 7 20.823 -0.823 9.912 1.00 0.00 C ATOM 128 OH TYR A 7 21.414 -0.519 11.116 1.00 0.00 O ATOM 0 H TYR A 7 18.563 -0.757 3.112 1.00 0.00 H new ATOM 0 HA TYR A 7 18.148 0.148 5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.054 -2.286 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 7 19.643 -2.492 5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.876 -0.579 8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 7 21.585 -2.220 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.910 -0.031 10.467 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.604 -1.680 9.112 1.00 0.00 H new ATOM 0 HH TYR A 7 22.351 -0.807 11.102 1.00 0.00 H new ATOM 213 N CYS A 13 20.314 0.184 -3.190 1.00 0.00 N ATOM 214 CA CYS A 13 19.126 0.749 -2.516 1.00 0.00 C ATOM 215 C CYS A 13 18.694 2.069 -3.189 1.00 0.00 C ATOM 216 O CYS A 13 17.505 2.293 -3.438 1.00 0.00 O ATOM 217 CB CYS A 13 19.431 0.978 -1.015 1.00 0.00 C ATOM 218 SG CYS A 13 18.076 1.719 -0.079 1.00 0.00 S ATOM 0 HA CYS A 13 18.303 0.040 -2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.690 0.022 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.308 1.619 -0.929 1.00 0.00 H new ATOM 0 HG CYS A 13 18.435 1.865 1.162 1.00 0.00 H new ATOM 224 N LYS A 14 19.695 2.909 -3.513 1.00 0.00 N ATOM 225 CA LYS A 14 19.489 4.212 -4.172 1.00 0.00 C ATOM 226 C LYS A 14 18.976 4.034 -5.616 1.00 0.00 C ATOM 227 O LYS A 14 18.109 4.784 -6.063 1.00 0.00 O ATOM 228 CB LYS A 14 20.814 5.032 -4.170 1.00 0.00 C ATOM 229 CG LYS A 14 21.304 5.470 -2.767 1.00 0.00 C ATOM 230 CD LYS A 14 20.339 6.461 -2.072 1.00 0.00 C ATOM 231 CE LYS A 14 20.189 7.795 -2.831 1.00 0.00 C ATOM 232 NZ LYS A 14 19.165 8.674 -2.211 1.00 0.00 N ATOM 0 H LYS A 14 20.675 2.701 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 14 18.731 4.757 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.595 4.436 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.676 5.921 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.425 4.588 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 14 22.287 5.933 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.359 5.995 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.700 6.663 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.148 8.312 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.916 7.594 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.095 9.560 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.244 8.191 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.438 8.887 -1.230 1.00 0.00 H new ATOM 246 N LYS A 15 19.530 3.030 -6.321 1.00 0.00 N ATOM 247 CA LYS A 15 19.186 2.715 -7.726 1.00 0.00 C ATOM 248 C LYS A 15 17.729 2.237 -7.845 1.00 0.00 C ATOM 249 O LYS A 15 16.979 2.695 -8.717 1.00 0.00 O ATOM 250 CB LYS A 15 20.150 1.617 -8.282 1.00 0.00 C ATOM 251 CG LYS A 15 21.621 2.062 -8.552 1.00 0.00 C ATOM 252 CD LYS A 15 21.883 2.558 -10.004 1.00 0.00 C ATOM 253 CE LYS A 15 21.155 3.865 -10.358 1.00 0.00 C ATOM 254 NZ LYS A 15 21.349 4.238 -11.779 1.00 0.00 N ATOM 0 H LYS A 15 20.236 2.407 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 15 19.298 3.626 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.168 0.787 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.732 1.234 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.881 2.859 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.286 1.225 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.955 2.703 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.575 1.781 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.090 3.754 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.520 4.669 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.843 5.124 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.363 4.369 -11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.977 3.483 -12.390 1.00 0.00 H new ATOM 268 N ALA A 16 17.360 1.311 -6.947 1.00 0.00 N ATOM 269 CA ALA A 16 16.019 0.704 -6.890 1.00 0.00 C ATOM 270 C ALA A 16 14.953 1.764 -6.560 1.00 0.00 C ATOM 271 O ALA A 16 13.930 1.876 -7.249 1.00 0.00 O ATOM 272 CB ALA A 16 16.022 -0.434 -5.858 1.00 0.00 C ATOM 0 H ALA A 16 17.993 0.957 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 16 15.766 0.289 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.031 -0.886 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.752 -1.188 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.285 -0.036 -4.878 1.00 0.00 H new ATOM 278 N ALA A 17 15.252 2.563 -5.521 1.00 0.00 N ATOM 279 CA ALA A 17 14.385 3.662 -5.056 1.00 0.00 C ATOM 280 C ALA A 17 14.193 4.739 -6.144 1.00 0.00 C ATOM 281 O ALA A 17 13.092 5.267 -6.308 1.00 0.00 O ATOM 282 CB ALA A 17 14.975 4.286 -3.782 1.00 0.00 C ATOM 0 H ALA A 17 16.108 2.464 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 17 13.402 3.246 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.331 5.097 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.043 3.527 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.970 4.677 -3.996 1.00 0.00 H new ATOM 288 N LYS A 18 15.280 5.028 -6.884 1.00 0.00 N ATOM 289 CA LYS A 18 15.286 6.020 -7.983 1.00 0.00 C ATOM 290 C LYS A 18 14.376 5.556 -9.132 1.00 0.00 C ATOM 291 O LYS A 18 13.527 6.311 -9.583 1.00 0.00 O ATOM 292 CB LYS A 18 16.749 6.245 -8.488 1.00 0.00 C ATOM 293 CG LYS A 18 16.957 7.144 -9.751 1.00 0.00 C ATOM 294 CD LYS A 18 16.605 8.655 -9.568 1.00 0.00 C ATOM 295 CE LYS A 18 15.150 9.007 -9.958 1.00 0.00 C ATOM 296 NZ LYS A 18 14.882 10.461 -9.888 1.00 0.00 N ATOM 0 H LYS A 18 16.184 4.579 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 18 14.898 6.967 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.322 6.681 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 18 17.184 5.268 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.999 7.067 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.351 6.744 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.770 8.934 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.288 9.254 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.952 8.652 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.462 8.481 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.895 10.645 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.044 10.798 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.519 10.963 -10.539 1.00 0.00 H new ATOM 310 N PHE A 19 14.547 4.297 -9.556 1.00 0.00 N ATOM 311 CA PHE A 19 13.841 3.709 -10.713 1.00 0.00 C ATOM 312 C PHE A 19 12.312 3.691 -10.470 1.00 0.00 C ATOM 313 O PHE A 19 11.520 4.180 -11.307 1.00 0.00 O ATOM 314 CB PHE A 19 14.406 2.283 -10.966 1.00 0.00 C ATOM 315 CG PHE A 19 14.049 1.664 -12.316 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.487 2.250 -13.507 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.305 0.490 -12.401 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.186 1.681 -14.731 1.00 0.00 C ATOM 319 CE2 PHE A 19 13.004 -0.076 -13.626 1.00 0.00 C ATOM 320 CZ PHE A 19 13.443 0.519 -14.791 1.00 0.00 C ATOM 0 H PHE A 19 15.187 3.646 -9.102 1.00 0.00 H new ATOM 0 HA PHE A 19 14.008 4.316 -11.602 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.492 2.321 -10.879 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.046 1.623 -10.177 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.068 3.159 -13.471 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.958 0.014 -11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.533 2.147 -15.642 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.424 -0.986 -13.671 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.206 0.077 -15.747 1.00 0.00 H new ATOM 330 N LEU A 20 11.930 3.175 -9.283 1.00 0.00 N ATOM 331 CA LEU A 20 10.533 3.162 -8.808 1.00 0.00 C ATOM 332 C LEU A 20 9.938 4.588 -8.792 1.00 0.00 C ATOM 333 O LEU A 20 8.936 4.851 -9.462 1.00 0.00 O ATOM 334 CB LEU A 20 10.460 2.518 -7.389 1.00 0.00 C ATOM 335 CG LEU A 20 10.719 0.975 -7.328 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.861 0.475 -5.871 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.599 0.203 -8.064 1.00 0.00 C ATOM 0 H LEU A 20 12.586 2.754 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 20 9.939 2.563 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.187 3.015 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.474 2.719 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 20 11.665 0.782 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.040 -0.600 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.699 0.982 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.945 0.690 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.798 -0.867 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.639 0.418 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.569 0.514 -9.108 1.00 0.00 H new ATOM 349 N ASP A 21 10.614 5.507 -8.079 1.00 0.00 N ATOM 350 CA ASP A 21 10.143 6.899 -7.896 1.00 0.00 C ATOM 351 C ASP A 21 10.025 7.658 -9.234 1.00 0.00 C ATOM 352 O ASP A 21 9.096 8.453 -9.420 1.00 0.00 O ATOM 353 CB ASP A 21 11.094 7.667 -6.948 1.00 0.00 C ATOM 354 CG ASP A 21 10.652 9.120 -6.687 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.705 9.329 -5.900 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.243 10.057 -7.270 1.00 0.00 O ATOM 0 H ASP A 21 11.500 5.310 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 21 9.147 6.843 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.155 7.137 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.097 7.671 -7.375 1.00 0.00 H new ATOM 361 N GLU A 22 10.965 7.383 -10.154 1.00 0.00 N ATOM 362 CA GLU A 22 11.044 8.056 -11.464 1.00 0.00 C ATOM 363 C GLU A 22 9.813 7.736 -12.314 1.00 0.00 C ATOM 364 O GLU A 22 9.195 8.634 -12.903 1.00 0.00 O ATOM 365 CB GLU A 22 12.335 7.650 -12.217 1.00 0.00 C ATOM 366 CG GLU A 22 12.461 8.258 -13.632 1.00 0.00 C ATOM 367 CD GLU A 22 13.763 7.881 -14.346 1.00 0.00 C ATOM 368 OE1 GLU A 22 14.817 8.480 -14.042 1.00 0.00 O ATOM 369 OE2 GLU A 22 13.744 6.974 -15.211 1.00 0.00 O ATOM 0 H GLU A 22 11.695 6.685 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 22 11.073 9.131 -11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.198 7.954 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.369 6.563 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.616 7.929 -14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.397 9.344 -13.559 1.00 0.00 H new ATOM 376 N TYR A 23 9.457 6.447 -12.349 1.00 0.00 N ATOM 377 CA TYR A 23 8.269 5.969 -13.079 1.00 0.00 C ATOM 378 C TYR A 23 6.954 6.256 -12.310 1.00 0.00 C ATOM 379 O TYR A 23 5.869 5.924 -12.796 1.00 0.00 O ATOM 380 CB TYR A 23 8.436 4.462 -13.393 1.00 0.00 C ATOM 381 CG TYR A 23 9.431 4.169 -14.534 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.804 4.376 -14.372 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.995 3.686 -15.772 1.00 0.00 C ATOM 384 CE1 TYR A 23 11.694 4.114 -15.393 1.00 0.00 C ATOM 385 CE2 TYR A 23 9.884 3.420 -16.794 1.00 0.00 C ATOM 386 CZ TYR A 23 11.231 3.635 -16.601 1.00 0.00 C ATOM 387 OH TYR A 23 12.122 3.366 -17.620 1.00 0.00 O ATOM 0 H TYR A 23 9.977 5.708 -11.877 1.00 0.00 H new ATOM 0 HA TYR A 23 8.191 6.520 -14.016 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.770 3.948 -12.492 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.464 4.046 -13.656 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.175 4.748 -13.429 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.940 3.518 -15.932 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.751 4.283 -15.247 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.525 3.045 -17.741 1.00 0.00 H new ATOM 0 HH TYR A 23 11.634 3.035 -18.402 1.00 0.00 H new ATOM 397 N GLY A 24 7.069 6.877 -11.118 1.00 0.00 N ATOM 398 CA GLY A 24 5.909 7.337 -10.348 1.00 0.00 C ATOM 399 C GLY A 24 5.351 6.291 -9.394 1.00 0.00 C ATOM 400 O GLY A 24 4.262 6.471 -8.840 1.00 0.00 O ATOM 0 H GLY A 24 7.965 7.070 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.191 8.222 -9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.123 7.641 -11.039 1.00 0.00 H new ATOM 404 N VAL A 25 6.097 5.197 -9.210 1.00 0.00 N ATOM 405 CA VAL A 25 5.685 4.070 -8.363 1.00 0.00 C ATOM 406 C VAL A 25 5.985 4.392 -6.896 1.00 0.00 C ATOM 407 O VAL A 25 7.151 4.616 -6.536 1.00 0.00 O ATOM 408 CB VAL A 25 6.428 2.741 -8.757 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.747 1.509 -8.128 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.545 2.592 -10.283 1.00 0.00 C ATOM 0 H VAL A 25 7.010 5.066 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 25 4.615 3.921 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 25 7.439 2.802 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.285 0.607 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.758 1.602 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.716 1.445 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.064 1.663 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.548 2.574 -10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.106 3.434 -10.689 1.00 0.00 H new ATOM 420 N SER A 26 4.934 4.435 -6.071 1.00 0.00 N ATOM 421 CA SER A 26 5.068 4.619 -4.625 1.00 0.00 C ATOM 422 C SER A 26 5.616 3.337 -3.975 1.00 0.00 C ATOM 423 O SER A 26 5.084 2.236 -4.185 1.00 0.00 O ATOM 424 CB SER A 26 3.712 5.012 -4.014 1.00 0.00 C ATOM 425 OG SER A 26 3.244 6.231 -4.573 1.00 0.00 O ATOM 0 H SER A 26 3.969 4.343 -6.387 1.00 0.00 H new ATOM 0 HA SER A 26 5.775 5.426 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.984 4.221 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.811 5.116 -2.933 1.00 0.00 H new ATOM 0 HG SER A 26 2.380 6.464 -4.173 1.00 0.00 H new ATOM 431 N TYR A 27 6.708 3.497 -3.225 1.00 0.00 N ATOM 432 CA TYR A 27 7.359 2.415 -2.478 1.00 0.00 C ATOM 433 C TYR A 27 7.440 2.816 -0.988 1.00 0.00 C ATOM 434 O TYR A 27 7.724 3.973 -0.666 1.00 0.00 O ATOM 435 CB TYR A 27 8.771 2.122 -3.070 1.00 0.00 C ATOM 436 CG TYR A 27 9.741 3.321 -3.080 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.694 4.279 -4.094 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.692 3.500 -2.069 1.00 0.00 C ATOM 439 CE1 TYR A 27 10.547 5.362 -4.098 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.549 4.583 -2.074 1.00 0.00 C ATOM 441 CZ TYR A 27 11.470 5.514 -3.089 1.00 0.00 C ATOM 442 OH TYR A 27 12.321 6.602 -3.097 1.00 0.00 O ATOM 0 H TYR A 27 7.174 4.398 -3.117 1.00 0.00 H new ATOM 0 HA TYR A 27 6.776 1.498 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.226 1.312 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.651 1.763 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.975 4.170 -4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.757 2.777 -1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.491 6.091 -4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.278 4.701 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 27 12.910 6.562 -2.315 1.00 0.00 H new ATOM 452 N GLU A 28 7.127 1.865 -0.105 1.00 0.00 N ATOM 453 CA GLU A 28 7.270 1.995 1.350 1.00 0.00 C ATOM 454 C GLU A 28 8.711 1.600 1.757 1.00 0.00 C ATOM 455 O GLU A 28 9.029 0.410 1.731 1.00 0.00 O ATOM 456 CB GLU A 28 6.216 1.083 2.051 1.00 0.00 C ATOM 457 CG GLU A 28 6.277 1.088 3.594 1.00 0.00 C ATOM 458 CD GLU A 28 5.120 0.317 4.260 1.00 0.00 C ATOM 459 OE1 GLU A 28 3.951 0.751 4.132 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.358 -0.720 4.913 1.00 0.00 O ATOM 0 H GLU A 28 6.757 0.958 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 28 7.095 3.025 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.220 1.398 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.351 0.060 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.224 0.653 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.266 2.119 3.946 1.00 0.00 H new ATOM 467 N PRO A 29 9.617 2.589 2.084 1.00 0.00 N ATOM 468 CA PRO A 29 11.015 2.315 2.473 1.00 0.00 C ATOM 469 C PRO A 29 11.106 1.885 3.952 1.00 0.00 C ATOM 470 O PRO A 29 11.209 2.721 4.853 1.00 0.00 O ATOM 471 CB PRO A 29 11.756 3.670 2.196 1.00 0.00 C ATOM 472 CG PRO A 29 10.701 4.598 1.643 1.00 0.00 C ATOM 473 CD PRO A 29 9.374 4.048 2.109 1.00 0.00 C ATOM 0 HA PRO A 29 11.460 1.490 1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.193 4.072 3.110 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.571 3.534 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.849 5.616 2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.747 4.636 0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.114 4.401 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.558 4.337 1.447 1.00 0.00 H new ATOM 481 N ILE A 30 11.031 0.572 4.181 1.00 0.00 N ATOM 482 CA ILE A 30 11.057 -0.038 5.530 1.00 0.00 C ATOM 483 C ILE A 30 12.378 -0.788 5.744 1.00 0.00 C ATOM 484 O ILE A 30 12.916 -1.379 4.817 1.00 0.00 O ATOM 485 CB ILE A 30 9.809 -0.992 5.751 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.483 -1.816 4.454 1.00 0.00 C ATOM 487 CG2 ILE A 30 8.575 -0.180 6.218 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.264 -2.714 4.550 1.00 0.00 C ATOM 0 H ILE A 30 10.949 -0.114 3.431 1.00 0.00 H new ATOM 0 HA ILE A 30 10.990 0.758 6.272 1.00 0.00 H new ATOM 0 HB ILE A 30 10.066 -1.703 6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.338 -1.120 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.349 -2.430 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.730 -0.853 6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.805 0.323 7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.321 0.563 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.124 -3.239 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.409 -3.439 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.383 -2.109 4.763 1.00 0.00 H new ATOM 500 N ASP A 31 12.900 -0.724 6.976 1.00 0.00 N ATOM 501 CA ASP A 31 14.203 -1.314 7.335 1.00 0.00 C ATOM 502 C ASP A 31 14.103 -2.844 7.440 1.00 0.00 C ATOM 503 O ASP A 31 13.188 -3.361 8.080 1.00 0.00 O ATOM 504 CB ASP A 31 14.724 -0.718 8.662 1.00 0.00 C ATOM 505 CG ASP A 31 15.189 0.753 8.574 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.498 1.582 7.943 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.233 1.091 9.170 1.00 0.00 O ATOM 0 H ASP A 31 12.432 -0.261 7.756 1.00 0.00 H new ATOM 0 HA ASP A 31 14.911 -1.071 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.935 -0.791 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.556 -1.327 9.015 1.00 0.00 H new ATOM 512 N ILE A 32 15.079 -3.541 6.836 1.00 0.00 N ATOM 513 CA ILE A 32 15.091 -5.012 6.729 1.00 0.00 C ATOM 514 C ILE A 32 15.447 -5.680 8.077 1.00 0.00 C ATOM 515 O ILE A 32 14.949 -6.758 8.387 1.00 0.00 O ATOM 516 CB ILE A 32 16.101 -5.485 5.603 1.00 0.00 C ATOM 517 CG1 ILE A 32 15.941 -7.009 5.266 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.567 -5.156 5.966 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.676 -7.357 4.505 1.00 0.00 C ATOM 0 H ILE A 32 15.889 -3.097 6.404 1.00 0.00 H new ATOM 0 HA ILE A 32 14.084 -5.325 6.455 1.00 0.00 H new ATOM 0 HB ILE A 32 15.844 -4.921 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.802 -7.331 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.958 -7.577 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.225 -5.497 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.678 -4.079 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.833 -5.659 6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.649 -8.430 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.806 -7.071 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.663 -6.821 3.556 1.00 0.00 H new ATOM 531 N VAL A 33 16.330 -5.031 8.864 1.00 0.00 N ATOM 532 CA VAL A 33 16.826 -5.580 10.157 1.00 0.00 C ATOM 533 C VAL A 33 16.073 -4.977 11.361 1.00 0.00 C ATOM 534 O VAL A 33 15.879 -5.647 12.382 1.00 0.00 O ATOM 535 CB VAL A 33 18.379 -5.369 10.306 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.748 -3.879 10.425 1.00 0.00 C ATOM 537 CG2 VAL A 33 18.971 -6.192 11.477 1.00 0.00 C ATOM 0 H VAL A 33 16.721 -4.118 8.630 1.00 0.00 H new ATOM 0 HA VAL A 33 16.628 -6.652 10.148 1.00 0.00 H new ATOM 0 HB VAL A 33 18.832 -5.745 9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.829 -3.779 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.416 -3.350 9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.261 -3.452 11.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.045 -6.014 11.541 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.497 -5.889 12.411 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.789 -7.253 11.305 1.00 0.00 H new ATOM 547 N GLN A 34 15.648 -3.708 11.228 1.00 0.00 N ATOM 548 CA GLN A 34 14.889 -3.004 12.280 1.00 0.00 C ATOM 549 C GLN A 34 13.436 -3.519 12.295 1.00 0.00 C ATOM 550 O GLN A 34 12.797 -3.609 13.347 1.00 0.00 O ATOM 551 CB GLN A 34 14.929 -1.476 12.018 1.00 0.00 C ATOM 552 CG GLN A 34 14.413 -0.588 13.163 1.00 0.00 C ATOM 553 CD GLN A 34 14.264 0.883 12.758 1.00 0.00 C ATOM 554 OE1 GLN A 34 15.335 1.651 12.879 1.00 0.00 O flip ATOM 555 NE2 GLN A 34 13.200 1.314 12.309 1.00 0.00 N flip ATOM 0 H GLN A 34 15.819 -3.144 10.395 1.00 0.00 H new ATOM 0 HA GLN A 34 15.338 -3.199 13.254 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.958 -1.191 11.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.341 -1.264 11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.448 -0.966 13.502 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.098 -0.659 14.008 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.393 0.696 12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.127 2.289 12.018 1.00 0.00 H new ATOM 564 N HIS A 35 12.930 -3.848 11.089 1.00 0.00 N ATOM 565 CA HIS A 35 11.588 -4.422 10.885 1.00 0.00 C ATOM 566 C HIS A 35 11.729 -5.730 10.090 1.00 0.00 C ATOM 567 O HIS A 35 11.318 -5.816 8.927 1.00 0.00 O ATOM 568 CB HIS A 35 10.665 -3.400 10.146 1.00 0.00 C ATOM 569 CG HIS A 35 10.491 -2.093 10.871 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.467 -1.847 11.765 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.240 -0.967 10.850 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.601 -0.630 12.259 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.666 -0.078 11.717 1.00 0.00 N ATOM 0 H HIS A 35 13.449 -3.720 10.220 1.00 0.00 H new ATOM 0 HA HIS A 35 11.123 -4.639 11.847 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.079 -3.202 9.157 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.685 -3.854 9.997 1.00 0.00 H new ATOM 0 HD1 HIS A 35 8.724 -2.503 12.006 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.128 -0.800 10.258 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.948 -0.167 12.984 1.00 0.00 H new ATOM 582 N THR A 36 12.380 -6.730 10.716 1.00 0.00 N ATOM 583 CA THR A 36 12.571 -8.048 10.103 1.00 0.00 C ATOM 584 C THR A 36 11.248 -8.832 10.152 1.00 0.00 C ATOM 585 O THR A 36 10.723 -9.053 11.254 1.00 0.00 O ATOM 586 CB THR A 36 13.705 -8.866 10.817 1.00 0.00 C ATOM 587 OG1 THR A 36 14.825 -8.011 11.082 1.00 0.00 O ATOM 588 CG2 THR A 36 14.186 -10.055 9.956 1.00 0.00 C ATOM 0 H THR A 36 12.782 -6.644 11.650 1.00 0.00 H new ATOM 0 HA THR A 36 12.877 -7.897 9.068 1.00 0.00 H new ATOM 0 HB THR A 36 13.289 -9.256 11.746 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.530 -8.524 11.529 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.971 -10.594 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.350 -10.727 9.764 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.578 -9.684 9.009 1.00 0.00 H new ATOM 596 N PRO A 37 10.683 -9.252 8.965 1.00 0.00 N ATOM 597 CA PRO A 37 9.442 -10.058 8.913 1.00 0.00 C ATOM 598 C PRO A 37 9.604 -11.379 9.686 1.00 0.00 C ATOM 599 O PRO A 37 10.723 -11.911 9.785 1.00 0.00 O ATOM 600 CB PRO A 37 9.221 -10.313 7.393 1.00 0.00 C ATOM 601 CG PRO A 37 10.017 -9.253 6.702 1.00 0.00 C ATOM 602 CD PRO A 37 11.205 -8.982 7.597 1.00 0.00 C ATOM 0 HA PRO A 37 8.595 -9.553 9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.558 -11.309 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.165 -10.247 7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.339 -9.586 5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.423 -8.351 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.046 -9.631 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.556 -7.955 7.497 1.00 0.00 H new ATOM 610 N THR A 38 8.507 -11.888 10.255 1.00 0.00 N ATOM 611 CA THR A 38 8.531 -13.175 10.962 1.00 0.00 C ATOM 612 C THR A 38 8.504 -14.322 9.944 1.00 0.00 C ATOM 613 O THR A 38 8.333 -14.097 8.731 1.00 0.00 O ATOM 614 CB THR A 38 7.348 -13.329 11.990 1.00 0.00 C ATOM 615 OG1 THR A 38 6.095 -13.483 11.308 1.00 0.00 O ATOM 616 CG2 THR A 38 7.269 -12.124 12.948 1.00 0.00 C ATOM 0 H THR A 38 7.595 -11.432 10.241 1.00 0.00 H new ATOM 0 HA THR A 38 9.454 -13.211 11.541 1.00 0.00 H new ATOM 0 HB THR A 38 7.549 -14.225 12.578 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.374 -13.579 11.965 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.441 -12.265 13.643 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.201 -12.041 13.506 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.108 -11.212 12.373 1.00 0.00 H new ATOM 624 N ILE A 39 8.673 -15.548 10.457 1.00 0.00 N ATOM 625 CA ILE A 39 8.606 -16.799 9.670 1.00 0.00 C ATOM 626 C ILE A 39 7.295 -16.858 8.845 1.00 0.00 C ATOM 627 O ILE A 39 7.275 -17.380 7.727 1.00 0.00 O ATOM 628 CB ILE A 39 8.705 -18.037 10.646 1.00 0.00 C ATOM 629 CG1 ILE A 39 9.976 -17.915 11.558 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.707 -19.384 9.877 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.014 -18.875 12.733 1.00 0.00 C ATOM 0 H ILE A 39 8.864 -15.707 11.446 1.00 0.00 H new ATOM 0 HA ILE A 39 9.442 -16.826 8.971 1.00 0.00 H new ATOM 0 HB ILE A 39 7.817 -18.029 11.278 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.862 -18.079 10.945 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.036 -16.895 11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.776 -20.208 10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.785 -19.476 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.561 -19.415 9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.929 -18.715 13.304 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.151 -18.699 13.375 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.990 -19.901 12.366 1.00 0.00 H new ATOM 643 N ASN A 40 6.233 -16.258 9.418 1.00 0.00 N ATOM 644 CA ASN A 40 4.900 -16.162 8.811 1.00 0.00 C ATOM 645 C ASN A 40 4.913 -15.250 7.571 1.00 0.00 C ATOM 646 O ASN A 40 4.580 -15.709 6.482 1.00 0.00 O ATOM 647 CB ASN A 40 3.872 -15.629 9.845 1.00 0.00 C ATOM 648 CG ASN A 40 3.834 -16.428 11.148 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.126 -17.622 11.170 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.457 -15.784 12.242 1.00 0.00 N ATOM 0 H ASN A 40 6.284 -15.818 10.337 1.00 0.00 H new ATOM 0 HA ASN A 40 4.607 -17.163 8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.107 -14.590 10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.879 -15.639 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.403 -16.279 13.132 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.220 -14.793 12.194 1.00 0.00 H new ATOM 657 N GLU A 41 5.321 -13.960 7.732 1.00 0.00 N ATOM 658 CA GLU A 41 5.314 -12.978 6.608 1.00 0.00 C ATOM 659 C GLU A 41 6.235 -13.431 5.460 1.00 0.00 C ATOM 660 O GLU A 41 5.923 -13.197 4.285 1.00 0.00 O ATOM 661 CB GLU A 41 5.715 -11.538 7.050 1.00 0.00 C ATOM 662 CG GLU A 41 4.700 -10.794 7.954 1.00 0.00 C ATOM 663 CD GLU A 41 4.729 -11.249 9.420 1.00 0.00 C ATOM 664 OE1 GLU A 41 5.570 -10.737 10.190 1.00 0.00 O ATOM 665 OE2 GLU A 41 3.926 -12.126 9.811 1.00 0.00 O ATOM 0 H GLU A 41 5.655 -13.579 8.617 1.00 0.00 H new ATOM 0 HA GLU A 41 4.282 -12.944 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.667 -11.594 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.881 -10.938 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.905 -9.724 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.696 -10.943 7.557 1.00 0.00 H new ATOM 672 N PHE A 42 7.357 -14.084 5.812 1.00 0.00 N ATOM 673 CA PHE A 42 8.279 -14.655 4.824 1.00 0.00 C ATOM 674 C PHE A 42 7.586 -15.776 4.019 1.00 0.00 C ATOM 675 O PHE A 42 7.488 -15.675 2.792 1.00 0.00 O ATOM 676 CB PHE A 42 9.598 -15.153 5.479 1.00 0.00 C ATOM 677 CG PHE A 42 10.669 -14.074 5.658 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.227 -13.441 4.542 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.132 -13.704 6.917 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.202 -12.472 4.685 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.110 -12.737 7.057 1.00 0.00 C ATOM 682 CZ PHE A 42 12.646 -12.122 5.942 1.00 0.00 C ATOM 0 H PHE A 42 7.645 -14.228 6.780 1.00 0.00 H new ATOM 0 HA PHE A 42 8.556 -13.861 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.365 -15.580 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.010 -15.957 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.890 -13.714 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.722 -14.178 7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.616 -11.989 3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.456 -12.461 8.042 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.411 -11.368 6.055 1.00 0.00 H new ATOM 692 N LYS A 43 7.054 -16.822 4.696 1.00 0.00 N ATOM 693 CA LYS A 43 6.378 -17.948 3.986 1.00 0.00 C ATOM 694 C LYS A 43 5.125 -17.475 3.223 1.00 0.00 C ATOM 695 O LYS A 43 4.726 -18.107 2.243 1.00 0.00 O ATOM 696 CB LYS A 43 6.014 -19.122 4.937 1.00 0.00 C ATOM 697 CG LYS A 43 4.971 -18.812 6.031 1.00 0.00 C ATOM 698 CD LYS A 43 4.654 -20.036 6.924 1.00 0.00 C ATOM 699 CE LYS A 43 5.907 -20.630 7.597 1.00 0.00 C ATOM 700 NZ LYS A 43 5.601 -21.832 8.413 1.00 0.00 N ATOM 0 H LYS A 43 7.075 -16.915 5.712 1.00 0.00 H new ATOM 0 HA LYS A 43 7.103 -18.321 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.642 -19.950 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.927 -19.466 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.338 -17.998 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.051 -18.463 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.940 -19.743 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.174 -20.805 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.637 -20.892 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.368 -19.873 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.489 -22.280 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.049 -21.553 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.050 -22.507 7.844 1.00 0.00 H new ATOM 714 N THR A 44 4.535 -16.345 3.667 1.00 0.00 N ATOM 715 CA THR A 44 3.397 -15.719 2.982 1.00 0.00 C ATOM 716 C THR A 44 3.841 -15.191 1.607 1.00 0.00 C ATOM 717 O THR A 44 3.325 -15.635 0.584 1.00 0.00 O ATOM 718 CB THR A 44 2.765 -14.560 3.832 1.00 0.00 C ATOM 719 OG1 THR A 44 2.285 -15.081 5.079 1.00 0.00 O ATOM 720 CG2 THR A 44 1.602 -13.855 3.105 1.00 0.00 C ATOM 0 H THR A 44 4.836 -15.848 4.505 1.00 0.00 H new ATOM 0 HA THR A 44 2.628 -16.481 2.849 1.00 0.00 H new ATOM 0 HB THR A 44 3.551 -13.822 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.043 -15.392 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.203 -13.063 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.964 -13.425 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.815 -14.578 2.890 1.00 0.00 H new ATOM 728 N ILE A 45 4.849 -14.290 1.594 1.00 0.00 N ATOM 729 CA ILE A 45 5.313 -13.635 0.352 1.00 0.00 C ATOM 730 C ILE A 45 5.916 -14.658 -0.633 1.00 0.00 C ATOM 731 O ILE A 45 5.819 -14.484 -1.836 1.00 0.00 O ATOM 732 CB ILE A 45 6.336 -12.460 0.624 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.701 -12.983 1.209 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.691 -11.381 1.539 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.717 -11.903 1.559 1.00 0.00 C ATOM 0 H ILE A 45 5.356 -14.000 2.430 1.00 0.00 H new ATOM 0 HA ILE A 45 4.428 -13.191 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 45 6.573 -11.997 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.493 -13.567 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.152 -13.661 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.408 -10.579 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.805 -10.974 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.408 -11.832 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.621 -12.368 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.964 -11.332 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.295 -11.236 2.310 1.00 0.00 H new ATOM 747 N ILE A 46 6.493 -15.744 -0.101 1.00 0.00 N ATOM 748 CA ILE A 46 7.076 -16.837 -0.908 1.00 0.00 C ATOM 749 C ILE A 46 5.968 -17.729 -1.510 1.00 0.00 C ATOM 750 O ILE A 46 6.087 -18.185 -2.652 1.00 0.00 O ATOM 751 CB ILE A 46 8.104 -17.649 -0.030 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.313 -16.719 0.328 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.589 -18.959 -0.711 1.00 0.00 C ATOM 754 CD1 ILE A 46 10.059 -17.110 1.569 1.00 0.00 C ATOM 0 H ILE A 46 6.571 -15.895 0.905 1.00 0.00 H new ATOM 0 HA ILE A 46 7.621 -16.418 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 46 7.592 -17.964 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.009 -16.712 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.947 -15.699 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.294 -19.470 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.734 -19.608 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.080 -18.719 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.878 -16.410 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.382 -17.088 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.461 -18.116 1.450 1.00 0.00 H new ATOM 766 N ALA A 47 4.877 -17.946 -0.750 1.00 0.00 N ATOM 767 CA ALA A 47 3.693 -18.700 -1.235 1.00 0.00 C ATOM 768 C ALA A 47 2.882 -17.878 -2.264 1.00 0.00 C ATOM 769 O ALA A 47 2.296 -18.438 -3.194 1.00 0.00 O ATOM 770 CB ALA A 47 2.799 -19.118 -0.052 1.00 0.00 C ATOM 0 H ALA A 47 4.786 -17.609 0.209 1.00 0.00 H new ATOM 0 HA ALA A 47 4.053 -19.598 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.936 -19.669 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.368 -19.752 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.459 -18.229 0.479 1.00 0.00 H new ATOM 776 N ASN A 48 2.877 -16.545 -2.090 1.00 0.00 N ATOM 777 CA ASN A 48 2.054 -15.617 -2.898 1.00 0.00 C ATOM 778 C ASN A 48 2.731 -15.275 -4.234 1.00 0.00 C ATOM 779 O ASN A 48 2.095 -15.336 -5.291 1.00 0.00 O ATOM 780 CB ASN A 48 1.760 -14.311 -2.098 1.00 0.00 C ATOM 781 CG ASN A 48 0.746 -14.471 -0.946 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.703 -15.636 -0.302 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 0.011 -13.536 -0.625 1.00 0.00 N flip ATOM 0 H ASN A 48 3.444 -16.076 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 48 1.113 -16.121 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.697 -13.934 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.387 -13.555 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.060 -12.652 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.646 -13.646 0.147 1.00 0.00 H new ATOM 790 N THR A 49 4.018 -14.897 -4.176 1.00 0.00 N ATOM 791 CA THR A 49 4.776 -14.452 -5.362 1.00 0.00 C ATOM 792 C THR A 49 5.418 -15.655 -6.079 1.00 0.00 C ATOM 793 O THR A 49 5.494 -15.688 -7.313 1.00 0.00 O ATOM 794 CB THR A 49 5.885 -13.420 -4.971 1.00 0.00 C ATOM 795 OG1 THR A 49 6.931 -14.073 -4.231 1.00 0.00 O ATOM 796 CG2 THR A 49 5.319 -12.263 -4.120 1.00 0.00 C ATOM 0 H THR A 49 4.562 -14.890 -3.313 1.00 0.00 H new ATOM 0 HA THR A 49 4.072 -13.966 -6.038 1.00 0.00 H new ATOM 0 HB THR A 49 6.281 -13.006 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.724 -14.040 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.121 -11.569 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.549 -11.739 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.887 -12.663 -3.203 1.00 0.00 H new ATOM 804 N GLY A 50 5.862 -16.645 -5.283 1.00 0.00 N ATOM 805 CA GLY A 50 6.581 -17.814 -5.806 1.00 0.00 C ATOM 806 C GLY A 50 8.086 -17.593 -5.871 1.00 0.00 C ATOM 807 O GLY A 50 8.787 -18.287 -6.618 1.00 0.00 O ATOM 0 H GLY A 50 5.733 -16.655 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.371 -18.678 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.208 -18.049 -6.803 1.00 0.00 H new ATOM 811 N VAL A 51 8.582 -16.631 -5.066 1.00 0.00 N ATOM 812 CA VAL A 51 10.009 -16.264 -5.029 1.00 0.00 C ATOM 813 C VAL A 51 10.831 -17.357 -4.324 1.00 0.00 C ATOM 814 O VAL A 51 10.328 -18.032 -3.415 1.00 0.00 O ATOM 815 CB VAL A 51 10.222 -14.872 -4.312 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.780 -14.891 -2.825 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.678 -14.357 -4.449 1.00 0.00 C ATOM 0 H VAL A 51 8.004 -16.088 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 51 10.356 -16.173 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 51 9.572 -14.170 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.949 -13.909 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.720 -15.139 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.360 -15.638 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.774 -13.398 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.362 -15.076 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.923 -14.234 -5.504 1.00 0.00 H new ATOM 827 N GLU A 52 12.080 -17.546 -4.782 1.00 0.00 N ATOM 828 CA GLU A 52 13.031 -18.453 -4.137 1.00 0.00 C ATOM 829 C GLU A 52 13.373 -17.964 -2.719 1.00 0.00 C ATOM 830 O GLU A 52 13.696 -16.785 -2.511 1.00 0.00 O ATOM 831 CB GLU A 52 14.320 -18.621 -4.994 1.00 0.00 C ATOM 832 CG GLU A 52 14.171 -19.548 -6.222 1.00 0.00 C ATOM 833 CD GLU A 52 13.446 -18.904 -7.424 1.00 0.00 C ATOM 834 OE1 GLU A 52 12.196 -18.861 -7.448 1.00 0.00 O ATOM 835 OE2 GLU A 52 14.135 -18.419 -8.350 1.00 0.00 O ATOM 0 H GLU A 52 12.453 -17.075 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 52 12.558 -19.432 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.641 -17.637 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.114 -19.011 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.162 -19.870 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.626 -20.443 -5.922 1.00 0.00 H new ATOM 842 N ILE A 53 13.282 -18.890 -1.762 1.00 0.00 N ATOM 843 CA ILE A 53 13.575 -18.641 -0.347 1.00 0.00 C ATOM 844 C ILE A 53 15.104 -18.433 -0.160 1.00 0.00 C ATOM 845 O ILE A 53 15.541 -17.658 0.697 1.00 0.00 O ATOM 846 CB ILE A 53 12.990 -19.839 0.532 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.690 -19.416 2.011 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.880 -21.105 0.472 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.881 -19.237 2.925 1.00 0.00 C ATOM 0 H ILE A 53 12.998 -19.851 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 53 13.090 -17.727 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 53 12.033 -20.098 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.134 -18.478 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.033 -20.166 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.438 -21.890 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.953 -21.450 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.876 -20.868 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.537 -18.945 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.431 -20.175 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.534 -18.462 2.524 1.00 0.00 H new ATOM 861 N ASN A 54 15.901 -19.087 -1.029 1.00 0.00 N ATOM 862 CA ASN A 54 17.373 -19.075 -0.947 1.00 0.00 C ATOM 863 C ASN A 54 17.970 -17.758 -1.488 1.00 0.00 C ATOM 864 O ASN A 54 19.052 -17.352 -1.051 1.00 0.00 O ATOM 865 CB ASN A 54 17.963 -20.297 -1.694 1.00 0.00 C ATOM 866 CG ASN A 54 17.728 -20.252 -3.207 1.00 0.00 C ATOM 867 OD1 ASN A 54 16.693 -20.701 -3.700 1.00 0.00 O ATOM 868 ND2 ASN A 54 18.684 -19.706 -3.952 1.00 0.00 N ATOM 0 H ASN A 54 15.540 -19.638 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 54 17.647 -19.141 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 54 19.034 -20.350 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.521 -21.209 -1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 54 18.572 -19.650 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.529 -19.343 -3.511 1.00 0.00 H new ATOM 875 N LYS A 55 17.275 -17.101 -2.460 1.00 0.00 N ATOM 876 CA LYS A 55 17.739 -15.794 -3.001 1.00 0.00 C ATOM 877 C LYS A 55 17.420 -14.642 -2.031 1.00 0.00 C ATOM 878 O LYS A 55 17.949 -13.537 -2.194 1.00 0.00 O ATOM 879 CB LYS A 55 17.154 -15.472 -4.405 1.00 0.00 C ATOM 880 CG LYS A 55 15.636 -15.145 -4.441 1.00 0.00 C ATOM 881 CD LYS A 55 15.240 -14.220 -5.624 1.00 0.00 C ATOM 882 CE LYS A 55 15.726 -14.719 -6.993 1.00 0.00 C ATOM 883 NZ LYS A 55 15.228 -16.077 -7.312 1.00 0.00 N ATOM 0 H LYS A 55 16.410 -17.447 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 55 18.819 -15.888 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.700 -14.625 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.340 -16.323 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.072 -16.075 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.351 -14.668 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.155 -14.122 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.646 -13.224 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.398 -14.024 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.816 -14.722 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.188 -16.199 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.869 -16.787 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.276 -16.200 -6.912 1.00 0.00 H new ATOM 897 N LEU A 56 16.532 -14.902 -1.039 1.00 0.00 N ATOM 898 CA LEU A 56 16.231 -13.928 0.023 1.00 0.00 C ATOM 899 C LEU A 56 17.416 -13.809 0.983 1.00 0.00 C ATOM 900 O LEU A 56 17.585 -12.776 1.616 1.00 0.00 O ATOM 901 CB LEU A 56 14.951 -14.301 0.804 1.00 0.00 C ATOM 902 CG LEU A 56 13.631 -14.417 -0.023 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.410 -14.523 0.908 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.468 -13.249 -1.018 1.00 0.00 C ATOM 0 H LEU A 56 16.016 -15.778 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 56 16.055 -12.965 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.124 -15.254 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.799 -13.555 1.584 1.00 0.00 H new ATOM 0 HG LEU A 56 13.696 -15.333 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.502 -14.603 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.508 -15.407 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.353 -13.634 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.537 -13.370 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.445 -12.306 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.306 -13.245 -1.714 1.00 0.00 H new ATOM 916 N PHE A 57 18.222 -14.886 1.083 1.00 0.00 N ATOM 917 CA PHE A 57 19.526 -14.845 1.768 1.00 0.00 C ATOM 918 C PHE A 57 20.473 -13.879 1.050 1.00 0.00 C ATOM 919 O PHE A 57 20.321 -13.658 -0.161 1.00 0.00 O ATOM 920 CB PHE A 57 20.158 -16.255 1.853 1.00 0.00 C ATOM 921 CG PHE A 57 19.501 -17.161 2.891 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.384 -17.931 2.576 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.001 -17.227 4.195 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.796 -18.743 3.525 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.410 -18.038 5.144 1.00 0.00 C ATOM 926 CZ PHE A 57 18.309 -18.795 4.809 1.00 0.00 C ATOM 0 H PHE A 57 17.988 -15.800 0.694 1.00 0.00 H new ATOM 0 HA PHE A 57 19.362 -14.488 2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.094 -16.732 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.217 -16.155 2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.973 -17.892 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.863 -16.635 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.934 -19.339 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.810 -18.079 6.146 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.846 -19.430 5.550 1.00 0.00 H new ATOM 936 N ASN A 58 21.448 -13.319 1.809 1.00 0.00 N ATOM 937 CA ASN A 58 22.405 -12.313 1.310 1.00 0.00 C ATOM 938 C ASN A 58 23.365 -12.969 0.289 1.00 0.00 C ATOM 939 O ASN A 58 24.514 -13.309 0.627 1.00 0.00 O ATOM 940 CB ASN A 58 23.168 -11.660 2.508 1.00 0.00 C ATOM 941 CG ASN A 58 23.925 -10.360 2.164 1.00 0.00 C ATOM 942 OD1 ASN A 58 23.716 -9.326 2.803 1.00 0.00 O ATOM 943 ND2 ASN A 58 24.843 -10.396 1.206 1.00 0.00 N ATOM 0 H ASN A 58 21.589 -13.558 2.791 1.00 0.00 H new ATOM 0 HA ASN A 58 21.871 -11.515 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 58 22.453 -11.448 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.880 -12.384 2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.387 -9.561 0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.004 -11.259 0.686 1.00 0.00 H new ATOM 999 N LYS A 63 28.169 -13.424 3.629 1.00 0.00 N ATOM 1000 CA LYS A 63 27.938 -14.060 4.946 1.00 0.00 C ATOM 1001 C LYS A 63 27.366 -15.481 4.798 1.00 0.00 C ATOM 1002 O LYS A 63 27.574 -16.319 5.660 1.00 0.00 O ATOM 1003 CB LYS A 63 27.007 -13.201 5.831 1.00 0.00 C ATOM 1004 CG LYS A 63 27.528 -11.773 6.110 1.00 0.00 C ATOM 1005 CD LYS A 63 26.627 -10.998 7.102 1.00 0.00 C ATOM 1006 CE LYS A 63 25.167 -10.905 6.629 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.027 -10.145 5.358 1.00 0.00 N ATOM 0 HA LYS A 63 28.909 -14.134 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.032 -13.131 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.857 -13.712 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.540 -11.831 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.588 -11.222 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.659 -11.489 8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.025 -9.993 7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.768 -11.910 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.568 -10.426 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.018 -10.009 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.489 -9.218 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.476 -10.676 4.585 1.00 0.00 H new ATOM 1021 N TYR A 64 26.662 -15.733 3.687 1.00 0.00 N ATOM 1022 CA TYR A 64 26.054 -17.047 3.373 1.00 0.00 C ATOM 1023 C TYR A 64 27.120 -18.174 3.349 1.00 0.00 C ATOM 1024 O TYR A 64 26.822 -19.328 3.675 1.00 0.00 O ATOM 1025 CB TYR A 64 25.325 -16.949 2.008 1.00 0.00 C ATOM 1026 CG TYR A 64 24.491 -18.182 1.590 1.00 0.00 C ATOM 1027 CD1 TYR A 64 25.064 -19.253 0.900 1.00 0.00 C ATOM 1028 CD2 TYR A 64 23.128 -18.253 1.862 1.00 0.00 C ATOM 1029 CE1 TYR A 64 24.312 -20.340 0.507 1.00 0.00 C ATOM 1030 CE2 TYR A 64 22.374 -19.338 1.465 1.00 0.00 C ATOM 1031 CZ TYR A 64 22.969 -20.380 0.790 1.00 0.00 C ATOM 1032 OH TYR A 64 22.212 -21.467 0.399 1.00 0.00 O ATOM 0 H TYR A 64 26.493 -15.028 2.969 1.00 0.00 H new ATOM 0 HA TYR A 64 25.338 -17.302 4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 64 24.665 -16.082 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.070 -16.761 1.235 1.00 0.00 H new ATOM 0 HD1 TYR A 64 26.119 -19.229 0.669 1.00 0.00 H new ATOM 0 HD2 TYR A 64 22.651 -17.443 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.778 -21.158 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 64 21.317 -19.370 1.684 1.00 0.00 H new ATOM 0 HH TYR A 64 22.591 -21.853 -0.418 1.00 0.00 H new ATOM 1042 N ARG A 65 28.366 -17.816 2.975 1.00 0.00 N ATOM 1043 CA ARG A 65 29.494 -18.776 2.885 1.00 0.00 C ATOM 1044 C ARG A 65 30.494 -18.558 4.040 1.00 0.00 C ATOM 1045 O ARG A 65 31.290 -19.448 4.345 1.00 0.00 O ATOM 1046 CB ARG A 65 30.179 -18.696 1.476 1.00 0.00 C ATOM 1047 CG ARG A 65 30.835 -17.337 1.082 1.00 0.00 C ATOM 1048 CD ARG A 65 32.259 -17.139 1.649 1.00 0.00 C ATOM 1049 NE ARG A 65 32.813 -15.822 1.288 1.00 0.00 N ATOM 1050 CZ ARG A 65 33.477 -14.994 2.115 1.00 0.00 C ATOM 1051 NH1 ARG A 65 33.675 -15.317 3.391 1.00 0.00 N ATOM 1052 NH2 ARG A 65 33.938 -13.838 1.658 1.00 0.00 N ATOM 0 H ARG A 65 28.621 -16.860 2.728 1.00 0.00 H new ATOM 0 HA ARG A 65 29.103 -19.788 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.946 -19.469 1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.432 -18.942 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 30.875 -17.266 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.199 -16.523 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.235 -17.238 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.913 -17.925 1.271 1.00 0.00 H new ATOM 0 HE ARG A 65 32.681 -15.510 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.322 -16.202 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.180 -14.679 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 65 33.789 -13.579 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 65 34.442 -13.207 2.282 1.00 0.00 H new ATOM 1066 N GLU A 66 30.445 -17.352 4.658 1.00 0.00 N ATOM 1067 CA GLU A 66 31.243 -17.015 5.865 1.00 0.00 C ATOM 1068 C GLU A 66 30.808 -17.913 7.033 1.00 0.00 C ATOM 1069 O GLU A 66 31.630 -18.561 7.693 1.00 0.00 O ATOM 1070 CB GLU A 66 31.045 -15.512 6.227 1.00 0.00 C ATOM 1071 CG GLU A 66 31.769 -15.027 7.506 1.00 0.00 C ATOM 1072 CD GLU A 66 33.300 -15.119 7.412 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.897 -14.341 6.634 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.910 -15.980 8.088 1.00 0.00 O ATOM 0 H GLU A 66 29.853 -16.587 4.335 1.00 0.00 H new ATOM 0 HA GLU A 66 32.301 -17.186 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.387 -14.907 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 29.978 -15.323 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.486 -13.993 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.428 -15.620 8.355 1.00 0.00 H new ATOM 1081 N LEU A 67 29.487 -17.932 7.259 1.00 0.00 N ATOM 1082 CA LEU A 67 28.821 -18.823 8.231 1.00 0.00 C ATOM 1083 C LEU A 67 28.739 -20.250 7.653 1.00 0.00 C ATOM 1084 O LEU A 67 28.621 -21.234 8.397 1.00 0.00 O ATOM 1085 CB LEU A 67 27.387 -18.298 8.533 1.00 0.00 C ATOM 1086 CG LEU A 67 27.239 -16.755 8.740 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.773 -16.371 9.038 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.205 -16.222 9.823 1.00 0.00 C ATOM 0 H LEU A 67 28.837 -17.320 6.766 1.00 0.00 H new ATOM 0 HA LEU A 67 29.398 -18.839 9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.734 -18.596 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.022 -18.799 9.429 1.00 0.00 H new ATOM 0 HG LEU A 67 27.521 -16.272 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.701 -15.292 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.141 -16.672 8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.441 -16.877 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.069 -15.146 9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.995 -16.715 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.233 -16.429 9.527 1.00 0.00 H new ATOM 1100 N ASP A 68 28.798 -20.300 6.306 1.00 0.00 N ATOM 1101 CA ASP A 68 28.656 -21.506 5.493 1.00 0.00 C ATOM 1102 C ASP A 68 27.290 -22.156 5.748 1.00 0.00 C ATOM 1103 O ASP A 68 27.171 -23.352 6.054 1.00 0.00 O ATOM 1104 CB ASP A 68 29.860 -22.487 5.662 1.00 0.00 C ATOM 1105 CG ASP A 68 29.895 -23.592 4.578 1.00 0.00 C ATOM 1106 OD1 ASP A 68 29.651 -23.276 3.391 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.183 -24.765 4.901 1.00 0.00 O ATOM 0 H ASP A 68 28.952 -19.464 5.742 1.00 0.00 H new ATOM 0 HA ASP A 68 28.685 -21.220 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.791 -21.921 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.807 -22.952 6.646 1.00 0.00 H new ATOM 1112 N LEU A 69 26.257 -21.304 5.630 1.00 0.00 N ATOM 1113 CA LEU A 69 24.857 -21.706 5.731 1.00 0.00 C ATOM 1114 C LEU A 69 24.519 -22.778 4.690 1.00 0.00 C ATOM 1115 O LEU A 69 23.706 -23.634 4.967 1.00 0.00 O ATOM 1116 CB LEU A 69 23.906 -20.495 5.553 1.00 0.00 C ATOM 1117 CG LEU A 69 23.995 -19.382 6.641 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.049 -18.215 6.300 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.693 -19.945 8.052 1.00 0.00 C ATOM 0 H LEU A 69 26.380 -20.306 5.460 1.00 0.00 H new ATOM 0 HA LEU A 69 24.713 -22.119 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.107 -20.042 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.881 -20.866 5.526 1.00 0.00 H new ATOM 0 HG LEU A 69 25.017 -19.004 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.125 -17.448 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.329 -17.790 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.023 -18.580 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.764 -19.143 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.687 -20.365 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.415 -20.724 8.295 1.00 0.00 H new ATOM 1131 N LYS A 70 25.179 -22.728 3.511 1.00 0.00 N ATOM 1132 CA LYS A 70 24.935 -23.674 2.393 1.00 0.00 C ATOM 1133 C LYS A 70 24.948 -25.143 2.873 1.00 0.00 C ATOM 1134 O LYS A 70 24.032 -25.924 2.556 1.00 0.00 O ATOM 1135 CB LYS A 70 26.008 -23.477 1.286 1.00 0.00 C ATOM 1136 CG LYS A 70 25.774 -24.305 -0.003 1.00 0.00 C ATOM 1137 CD LYS A 70 24.498 -23.872 -0.763 1.00 0.00 C ATOM 1138 CE LYS A 70 24.242 -24.707 -2.028 1.00 0.00 C ATOM 1139 NZ LYS A 70 23.073 -24.204 -2.801 1.00 0.00 N ATOM 0 H LYS A 70 25.896 -22.032 3.306 1.00 0.00 H new ATOM 0 HA LYS A 70 23.945 -23.460 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.045 -22.421 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.984 -23.737 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.637 -24.200 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.698 -25.361 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.639 -23.957 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.585 -22.821 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.130 -24.689 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.071 -25.746 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.935 -24.795 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.220 -24.245 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.246 -23.220 -3.091 1.00 0.00 H new ATOM 1153 N ASN A 71 25.966 -25.468 3.699 1.00 0.00 N ATOM 1154 CA ASN A 71 26.192 -26.825 4.231 1.00 0.00 C ATOM 1155 C ASN A 71 25.005 -27.316 5.090 1.00 0.00 C ATOM 1156 O ASN A 71 24.655 -28.498 5.051 1.00 0.00 O ATOM 1157 CB ASN A 71 27.508 -26.862 5.048 1.00 0.00 C ATOM 1158 CG ASN A 71 27.892 -28.265 5.554 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.540 -28.665 6.665 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.594 -29.030 4.736 1.00 0.00 N ATOM 0 H ASN A 71 26.658 -24.789 4.016 1.00 0.00 H new ATOM 0 HA ASN A 71 26.277 -27.504 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.318 -26.476 4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.412 -26.192 5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.856 -29.974 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.874 -28.676 3.821 1.00 0.00 H new ATOM 1167 N LYS A 72 24.386 -26.411 5.870 1.00 0.00 N ATOM 1168 CA LYS A 72 23.222 -26.765 6.705 1.00 0.00 C ATOM 1169 C LYS A 72 21.905 -26.646 5.906 1.00 0.00 C ATOM 1170 O LYS A 72 20.995 -27.429 6.132 1.00 0.00 O ATOM 1171 CB LYS A 72 23.174 -25.912 8.007 1.00 0.00 C ATOM 1172 CG LYS A 72 22.890 -24.414 7.817 1.00 0.00 C ATOM 1173 CD LYS A 72 22.951 -23.622 9.147 1.00 0.00 C ATOM 1174 CE LYS A 72 21.777 -23.933 10.087 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.909 -23.265 11.407 1.00 0.00 N ATOM 0 H LYS A 72 24.670 -25.434 5.940 1.00 0.00 H new ATOM 0 HA LYS A 72 23.336 -27.807 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.408 -26.327 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 72 24.128 -26.019 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.614 -23.997 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.904 -24.289 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.887 -23.850 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.960 -22.554 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.846 -23.618 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.710 -25.011 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.092 -23.508 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.783 -23.584 11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.945 -22.234 11.272 1.00 0.00 H new ATOM 1189 N LEU A 73 21.826 -25.710 4.927 1.00 0.00 N ATOM 1190 CA LEU A 73 20.563 -25.425 4.197 1.00 0.00 C ATOM 1191 C LEU A 73 20.201 -26.566 3.241 1.00 0.00 C ATOM 1192 O LEU A 73 19.017 -26.789 2.960 1.00 0.00 O ATOM 1193 CB LEU A 73 20.601 -24.077 3.413 1.00 0.00 C ATOM 1194 CG LEU A 73 20.823 -22.773 4.253 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.495 -21.503 3.441 1.00 0.00 C ATOM 1196 CD2 LEU A 73 20.052 -22.797 5.580 1.00 0.00 C ATOM 0 H LEU A 73 22.618 -25.142 4.625 1.00 0.00 H new ATOM 0 HA LEU A 73 19.793 -25.338 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.395 -24.140 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.662 -23.974 2.869 1.00 0.00 H new ATOM 0 HG LEU A 73 21.885 -22.743 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.662 -20.622 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.139 -21.457 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.452 -21.532 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.238 -21.872 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.985 -22.891 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.385 -23.645 6.179 1.00 0.00 H new ATOM 1208 N GLN A 74 21.229 -27.279 2.747 1.00 0.00 N ATOM 1209 CA GLN A 74 21.040 -28.425 1.838 1.00 0.00 C ATOM 1210 C GLN A 74 20.424 -29.648 2.566 1.00 0.00 C ATOM 1211 O GLN A 74 19.948 -30.582 1.907 1.00 0.00 O ATOM 1212 CB GLN A 74 22.382 -28.777 1.119 1.00 0.00 C ATOM 1213 CG GLN A 74 23.573 -29.170 2.032 1.00 0.00 C ATOM 1214 CD GLN A 74 23.552 -30.615 2.567 1.00 0.00 C ATOM 1215 OE1 GLN A 74 23.033 -31.555 1.787 1.00 0.00 O flip ATOM 1216 NE2 GLN A 74 24.041 -30.890 3.663 1.00 0.00 N flip ATOM 0 H GLN A 74 22.206 -27.080 2.964 1.00 0.00 H new ATOM 0 HA GLN A 74 20.319 -28.136 1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.194 -29.600 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.682 -27.919 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 74 24.499 -29.021 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.597 -28.487 2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.434 -30.151 4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 74 24.053 -31.857 3.988 1.00 0.00 H new ATOM 1225 N THR A 75 20.436 -29.644 3.922 1.00 0.00 N ATOM 1226 CA THR A 75 19.917 -30.773 4.727 1.00 0.00 C ATOM 1227 C THR A 75 18.676 -30.380 5.566 1.00 0.00 C ATOM 1228 O THR A 75 17.837 -31.251 5.837 1.00 0.00 O ATOM 1229 CB THR A 75 21.038 -31.421 5.627 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.486 -32.443 6.481 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.808 -30.401 6.487 1.00 0.00 C ATOM 0 H THR A 75 20.800 -28.871 4.479 1.00 0.00 H new ATOM 0 HA THR A 75 19.591 -31.531 4.015 1.00 0.00 H new ATOM 0 HB THR A 75 21.752 -31.859 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.199 -32.832 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.562 -30.920 7.079 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.294 -29.672 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.114 -29.889 7.153 1.00 0.00 H new ATOM 1239 N LEU A 76 18.537 -29.099 5.987 1.00 0.00 N ATOM 1240 CA LEU A 76 17.348 -28.672 6.781 1.00 0.00 C ATOM 1241 C LEU A 76 16.156 -28.256 5.881 1.00 0.00 C ATOM 1242 O LEU A 76 16.277 -28.203 4.646 1.00 0.00 O ATOM 1243 CB LEU A 76 17.706 -27.576 7.845 1.00 0.00 C ATOM 1244 CG LEU A 76 18.424 -26.255 7.399 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.568 -25.369 6.485 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.916 -25.450 8.622 1.00 0.00 C ATOM 0 H LEU A 76 19.211 -28.357 5.799 1.00 0.00 H new ATOM 0 HA LEU A 76 17.018 -29.548 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.778 -27.289 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.336 -28.049 8.598 1.00 0.00 H new ATOM 0 HG LEU A 76 19.283 -26.571 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.129 -24.474 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.311 -25.920 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.655 -25.082 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.410 -24.539 8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.066 -25.189 9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.620 -26.053 9.195 1.00 0.00 H new ATOM 1258 N SER A 77 15.017 -27.945 6.535 1.00 0.00 N ATOM 1259 CA SER A 77 13.754 -27.566 5.871 1.00 0.00 C ATOM 1260 C SER A 77 13.755 -26.080 5.472 1.00 0.00 C ATOM 1261 O SER A 77 14.485 -25.273 6.055 1.00 0.00 O ATOM 1262 CB SER A 77 12.569 -27.865 6.822 1.00 0.00 C ATOM 1263 OG SER A 77 12.560 -29.232 7.219 1.00 0.00 O ATOM 0 H SER A 77 14.949 -27.950 7.553 1.00 0.00 H new ATOM 0 HA SER A 77 13.651 -28.152 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.637 -27.228 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.630 -27.622 6.325 1.00 0.00 H new ATOM 0 HG SER A 77 11.803 -29.393 7.820 1.00 0.00 H new ATOM 1269 N ASP A 78 12.906 -25.722 4.486 1.00 0.00 N ATOM 1270 CA ASP A 78 12.737 -24.325 4.036 1.00 0.00 C ATOM 1271 C ASP A 78 12.236 -23.428 5.183 1.00 0.00 C ATOM 1272 O ASP A 78 12.527 -22.237 5.207 1.00 0.00 O ATOM 1273 CB ASP A 78 11.769 -24.235 2.829 1.00 0.00 C ATOM 1274 CG ASP A 78 12.273 -25.005 1.593 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.249 -24.548 0.955 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.712 -26.080 1.268 1.00 0.00 O ATOM 0 H ASP A 78 12.322 -26.389 3.982 1.00 0.00 H new ATOM 0 HA ASP A 78 13.717 -23.967 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.795 -24.627 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.625 -23.188 2.564 1.00 0.00 H new ATOM 1281 N ASP A 79 11.498 -24.036 6.130 1.00 0.00 N ATOM 1282 CA ASP A 79 10.975 -23.352 7.330 1.00 0.00 C ATOM 1283 C ASP A 79 12.110 -22.889 8.278 1.00 0.00 C ATOM 1284 O ASP A 79 11.994 -21.859 8.946 1.00 0.00 O ATOM 1285 CB ASP A 79 9.983 -24.286 8.064 1.00 0.00 C ATOM 1286 CG ASP A 79 9.271 -23.613 9.256 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.326 -22.822 9.032 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.653 -23.871 10.418 1.00 0.00 O ATOM 0 H ASP A 79 11.245 -25.023 6.085 1.00 0.00 H new ATOM 0 HA ASP A 79 10.452 -22.451 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.234 -24.637 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.520 -25.165 8.421 1.00 0.00 H new ATOM 1293 N GLU A 80 13.212 -23.654 8.302 1.00 0.00 N ATOM 1294 CA GLU A 80 14.409 -23.344 9.121 1.00 0.00 C ATOM 1295 C GLU A 80 15.272 -22.265 8.438 1.00 0.00 C ATOM 1296 O GLU A 80 15.935 -21.455 9.109 1.00 0.00 O ATOM 1297 CB GLU A 80 15.198 -24.648 9.383 1.00 0.00 C ATOM 1298 CG GLU A 80 14.387 -25.699 10.166 1.00 0.00 C ATOM 1299 CD GLU A 80 15.129 -27.029 10.353 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.054 -27.092 11.196 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.800 -28.015 9.654 1.00 0.00 O ATOM 0 H GLU A 80 13.305 -24.509 7.754 1.00 0.00 H new ATOM 0 HA GLU A 80 14.103 -22.934 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.510 -25.075 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.106 -24.411 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.131 -25.294 11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.449 -25.886 9.643 1.00 0.00 H new ATOM 1308 N LYS A 81 15.228 -22.248 7.097 1.00 0.00 N ATOM 1309 CA LYS A 81 15.799 -21.155 6.292 1.00 0.00 C ATOM 1310 C LYS A 81 15.033 -19.837 6.584 1.00 0.00 C ATOM 1311 O LYS A 81 15.639 -18.763 6.726 1.00 0.00 O ATOM 1312 CB LYS A 81 15.706 -21.495 4.783 1.00 0.00 C ATOM 1313 CG LYS A 81 16.390 -22.802 4.351 1.00 0.00 C ATOM 1314 CD LYS A 81 16.135 -23.138 2.864 1.00 0.00 C ATOM 1315 CE LYS A 81 16.633 -24.542 2.478 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.226 -24.910 1.099 1.00 0.00 N ATOM 0 H LYS A 81 14.798 -22.987 6.541 1.00 0.00 H new ATOM 0 HA LYS A 81 16.848 -21.030 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.653 -21.548 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.144 -20.673 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.463 -22.721 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.028 -23.621 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.067 -23.066 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.631 -22.396 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.719 -24.577 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.237 -25.274 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.490 -25.898 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.196 -24.802 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.706 -24.288 0.418 1.00 0.00 H new ATOM 1330 N LEU A 82 13.688 -19.961 6.692 1.00 0.00 N ATOM 1331 CA LEU A 82 12.785 -18.854 7.066 1.00 0.00 C ATOM 1332 C LEU A 82 13.149 -18.302 8.453 1.00 0.00 C ATOM 1333 O LEU A 82 13.169 -17.087 8.642 1.00 0.00 O ATOM 1334 CB LEU A 82 11.301 -19.322 7.060 1.00 0.00 C ATOM 1335 CG LEU A 82 10.698 -19.704 5.670 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.322 -20.385 5.810 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.590 -18.477 4.764 1.00 0.00 C ATOM 0 H LEU A 82 13.199 -20.840 6.520 1.00 0.00 H new ATOM 0 HA LEU A 82 12.906 -18.062 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.212 -20.185 7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.691 -18.528 7.490 1.00 0.00 H new ATOM 0 HG LEU A 82 11.381 -20.420 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.937 -20.635 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.425 -21.296 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.629 -19.707 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.167 -18.770 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.944 -17.734 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.581 -18.050 4.610 1.00 0.00 H new ATOM 1349 N GLU A 83 13.441 -19.222 9.408 1.00 0.00 N ATOM 1350 CA GLU A 83 13.888 -18.855 10.769 1.00 0.00 C ATOM 1351 C GLU A 83 15.152 -17.977 10.722 1.00 0.00 C ATOM 1352 O GLU A 83 15.189 -16.930 11.355 1.00 0.00 O ATOM 1353 CB GLU A 83 14.180 -20.106 11.638 1.00 0.00 C ATOM 1354 CG GLU A 83 12.965 -20.992 11.958 1.00 0.00 C ATOM 1355 CD GLU A 83 13.303 -22.105 12.965 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.784 -23.181 12.548 1.00 0.00 O ATOM 1357 OE2 GLU A 83 13.133 -21.892 14.189 1.00 0.00 O ATOM 0 H GLU A 83 13.373 -20.228 9.255 1.00 0.00 H new ATOM 0 HA GLU A 83 13.070 -18.294 11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.926 -20.715 11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.625 -19.778 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.163 -20.373 12.360 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.592 -21.440 11.037 1.00 0.00 H new ATOM 1364 N LEU A 84 16.168 -18.420 9.957 1.00 0.00 N ATOM 1365 CA LEU A 84 17.459 -17.695 9.805 1.00 0.00 C ATOM 1366 C LEU A 84 17.263 -16.256 9.285 1.00 0.00 C ATOM 1367 O LEU A 84 17.850 -15.297 9.826 1.00 0.00 O ATOM 1368 CB LEU A 84 18.387 -18.494 8.857 1.00 0.00 C ATOM 1369 CG LEU A 84 18.911 -19.847 9.436 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.549 -20.720 8.346 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.902 -19.599 10.596 1.00 0.00 C ATOM 0 H LEU A 84 16.124 -19.289 9.425 1.00 0.00 H new ATOM 0 HA LEU A 84 17.919 -17.613 10.790 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.849 -18.696 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.243 -17.870 8.599 1.00 0.00 H new ATOM 0 HG LEU A 84 18.053 -20.392 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.902 -21.652 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.809 -20.939 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.390 -20.189 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.254 -20.555 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.751 -19.020 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.401 -19.047 11.391 1.00 0.00 H new ATOM 1383 N LEU A 85 16.415 -16.125 8.251 1.00 0.00 N ATOM 1384 CA LEU A 85 16.040 -14.815 7.685 1.00 0.00 C ATOM 1385 C LEU A 85 15.318 -13.942 8.738 1.00 0.00 C ATOM 1386 O LEU A 85 15.585 -12.746 8.862 1.00 0.00 O ATOM 1387 CB LEU A 85 15.117 -15.010 6.457 1.00 0.00 C ATOM 1388 CG LEU A 85 15.751 -15.721 5.223 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.704 -15.938 4.110 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.976 -14.940 4.691 1.00 0.00 C ATOM 0 H LEU A 85 15.972 -16.917 7.786 1.00 0.00 H new ATOM 0 HA LEU A 85 16.954 -14.307 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.245 -15.584 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.757 -14.031 6.140 1.00 0.00 H new ATOM 0 HG LEU A 85 16.101 -16.700 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.173 -16.436 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.892 -16.557 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.307 -14.974 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.395 -15.462 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.667 -13.938 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.730 -14.869 5.475 1.00 0.00 H new ATOM 1402 N SER A 86 14.410 -14.578 9.496 1.00 0.00 N ATOM 1403 CA SER A 86 13.591 -13.914 10.524 1.00 0.00 C ATOM 1404 C SER A 86 14.415 -13.575 11.783 1.00 0.00 C ATOM 1405 O SER A 86 14.007 -12.724 12.580 1.00 0.00 O ATOM 1406 CB SER A 86 12.402 -14.821 10.892 1.00 0.00 C ATOM 1407 OG SER A 86 11.595 -15.092 9.766 1.00 0.00 O ATOM 0 H SER A 86 14.222 -15.577 9.412 1.00 0.00 H new ATOM 0 HA SER A 86 13.225 -12.973 10.114 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.772 -15.757 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.802 -14.341 11.665 1.00 0.00 H new ATOM 0 HG SER A 86 12.002 -15.810 9.237 1.00 0.00 H new ATOM 1413 N SER A 87 15.561 -14.257 11.955 1.00 0.00 N ATOM 1414 CA SER A 87 16.476 -14.033 13.082 1.00 0.00 C ATOM 1415 C SER A 87 17.405 -12.851 12.786 1.00 0.00 C ATOM 1416 O SER A 87 17.719 -12.063 13.688 1.00 0.00 O ATOM 1417 CB SER A 87 17.307 -15.309 13.365 1.00 0.00 C ATOM 1418 OG SER A 87 16.472 -16.391 13.744 1.00 0.00 O ATOM 0 H SER A 87 15.878 -14.982 11.311 1.00 0.00 H new ATOM 0 HA SER A 87 15.884 -13.800 13.967 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.877 -15.580 12.476 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.028 -15.108 14.157 1.00 0.00 H new ATOM 0 HG SER A 87 15.959 -16.696 12.967 1.00 0.00 H new ATOM 1424 N ASP A 88 17.830 -12.720 11.512 1.00 0.00 N ATOM 1425 CA ASP A 88 18.828 -11.709 11.114 1.00 0.00 C ATOM 1426 C ASP A 88 18.415 -11.034 9.798 1.00 0.00 C ATOM 1427 O ASP A 88 18.282 -11.703 8.768 1.00 0.00 O ATOM 1428 CB ASP A 88 20.215 -12.394 10.971 1.00 0.00 C ATOM 1429 CG ASP A 88 21.396 -11.418 11.036 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.673 -10.744 10.033 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.064 -11.334 12.089 1.00 0.00 O ATOM 0 H ASP A 88 17.497 -13.302 10.743 1.00 0.00 H new ATOM 0 HA ASP A 88 18.887 -10.935 11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.326 -13.137 11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.250 -12.929 10.022 1.00 0.00 H new ATOM 1436 N GLY A 89 18.235 -9.700 9.845 1.00 0.00 N ATOM 1437 CA GLY A 89 17.836 -8.917 8.671 1.00 0.00 C ATOM 1438 C GLY A 89 18.969 -8.687 7.677 1.00 0.00 C ATOM 1439 O GLY A 89 18.711 -8.363 6.519 1.00 0.00 O ATOM 0 H GLY A 89 18.362 -9.144 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.018 -9.429 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.452 -7.952 9.002 1.00 0.00 H new ATOM 1443 N MET A 90 20.228 -8.820 8.140 1.00 0.00 N ATOM 1444 CA MET A 90 21.412 -8.748 7.257 1.00 0.00 C ATOM 1445 C MET A 90 21.592 -10.073 6.505 1.00 0.00 C ATOM 1446 O MET A 90 22.172 -10.095 5.413 1.00 0.00 O ATOM 1447 CB MET A 90 22.691 -8.406 8.061 1.00 0.00 C ATOM 1448 CG MET A 90 22.651 -7.084 8.846 1.00 0.00 C ATOM 1449 SD MET A 90 22.628 -5.608 7.789 1.00 0.00 S ATOM 1450 CE MET A 90 20.881 -5.321 7.533 1.00 0.00 C ATOM 0 H MET A 90 20.453 -8.978 9.122 1.00 0.00 H new ATOM 0 HA MET A 90 21.248 -7.949 6.534 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.885 -9.218 8.762 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.534 -8.372 7.371 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.767 -7.077 9.484 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.519 -7.036 9.504 1.00 0.00 H new ATOM 0 HE1 MET A 90 20.745 -4.612 6.716 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.391 -6.262 7.283 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.442 -4.914 8.444 1.00 0.00 H new ATOM 1460 N LEU A 91 21.110 -11.185 7.110 1.00 0.00 N ATOM 1461 CA LEU A 91 21.024 -12.489 6.427 1.00 0.00 C ATOM 1462 C LEU A 91 20.017 -12.435 5.280 1.00 0.00 C ATOM 1463 O LEU A 91 20.122 -13.217 4.344 1.00 0.00 O ATOM 1464 CB LEU A 91 20.689 -13.649 7.416 1.00 0.00 C ATOM 1465 CG LEU A 91 21.917 -14.302 8.131 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.491 -15.491 9.026 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.975 -14.736 7.092 1.00 0.00 C ATOM 0 H LEU A 91 20.775 -11.200 8.073 1.00 0.00 H new ATOM 0 HA LEU A 91 22.008 -12.702 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 91 20.008 -13.268 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.154 -14.426 6.869 1.00 0.00 H new ATOM 0 HG LEU A 91 22.363 -13.553 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.371 -15.919 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.796 -15.141 9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 91 21.006 -16.251 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.824 -15.189 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.536 -15.461 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.313 -13.865 6.531 1.00 0.00 H new ATOM 1479 N VAL A 92 19.045 -11.518 5.375 1.00 0.00 N ATOM 1480 CA VAL A 92 18.164 -11.188 4.243 1.00 0.00 C ATOM 1481 C VAL A 92 18.856 -10.121 3.369 1.00 0.00 C ATOM 1482 O VAL A 92 19.726 -9.377 3.850 1.00 0.00 O ATOM 1483 CB VAL A 92 16.742 -10.662 4.697 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.695 -10.781 3.550 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.243 -11.375 5.970 1.00 0.00 C ATOM 0 H VAL A 92 18.847 -10.990 6.225 1.00 0.00 H new ATOM 0 HA VAL A 92 17.993 -12.106 3.681 1.00 0.00 H new ATOM 0 HB VAL A 92 16.860 -9.605 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.731 -10.411 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.024 -10.190 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.597 -11.825 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.264 -10.984 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.165 -12.446 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.946 -11.201 6.784 1.00 0.00 H new ATOM 1495 N LYS A 93 18.485 -10.066 2.084 1.00 0.00 N ATOM 1496 CA LYS A 93 18.916 -8.992 1.180 1.00 0.00 C ATOM 1497 C LYS A 93 18.321 -7.661 1.667 1.00 0.00 C ATOM 1498 O LYS A 93 17.091 -7.545 1.770 1.00 0.00 O ATOM 1499 CB LYS A 93 18.444 -9.285 -0.271 1.00 0.00 C ATOM 1500 CG LYS A 93 18.992 -10.601 -0.881 1.00 0.00 C ATOM 1501 CD LYS A 93 20.490 -10.537 -1.264 1.00 0.00 C ATOM 1502 CE LYS A 93 20.773 -9.617 -2.458 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.218 -9.604 -2.805 1.00 0.00 N ATOM 0 H LYS A 93 17.881 -10.760 1.643 1.00 0.00 H new ATOM 0 HA LYS A 93 20.004 -8.932 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.355 -9.322 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.742 -8.454 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.844 -11.411 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.410 -10.849 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.063 -10.191 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.841 -11.542 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.194 -9.949 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.445 -8.604 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.375 -8.972 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.768 -9.264 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.524 -10.567 -3.052 1.00 0.00 H new ATOM 1517 N ARG A 94 19.200 -6.688 2.006 1.00 0.00 N ATOM 1518 CA ARG A 94 18.769 -5.323 2.378 1.00 0.00 C ATOM 1519 C ARG A 94 17.894 -4.711 1.247 1.00 0.00 C ATOM 1520 O ARG A 94 16.767 -4.334 1.533 1.00 0.00 O ATOM 1521 CB ARG A 94 19.969 -4.390 2.734 1.00 0.00 C ATOM 1522 CG ARG A 94 20.870 -4.888 3.884 1.00 0.00 C ATOM 1523 CD ARG A 94 22.062 -3.938 4.151 1.00 0.00 C ATOM 1524 NE ARG A 94 22.935 -3.808 2.962 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.511 -2.674 2.526 1.00 0.00 C ATOM 1526 NH1 ARG A 94 23.275 -1.511 3.111 1.00 0.00 N ATOM 1527 NH2 ARG A 94 24.304 -2.716 1.469 1.00 0.00 N ATOM 0 H ARG A 94 20.211 -6.825 2.029 1.00 0.00 H new ATOM 0 HA ARG A 94 18.169 -5.405 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.583 -4.259 1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.578 -3.408 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.275 -4.985 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.247 -5.882 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 94 21.687 -2.955 4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.645 -4.313 4.992 1.00 0.00 H new ATOM 0 HE ARG A 94 23.116 -4.656 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 94 22.644 -1.461 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 94 23.724 -0.664 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.473 -3.602 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.746 -1.862 1.129 1.00 0.00 H new ATOM 1541 N PRO A 95 18.358 -4.642 -0.064 1.00 0.00 N ATOM 1542 CA PRO A 95 17.483 -4.196 -1.166 1.00 0.00 C ATOM 1543 C PRO A 95 16.526 -5.331 -1.624 1.00 0.00 C ATOM 1544 O PRO A 95 16.937 -6.311 -2.257 1.00 0.00 O ATOM 1545 CB PRO A 95 18.487 -3.773 -2.265 1.00 0.00 C ATOM 1546 CG PRO A 95 19.681 -4.660 -2.057 1.00 0.00 C ATOM 1547 CD PRO A 95 19.732 -4.970 -0.573 1.00 0.00 C ATOM 0 HA PRO A 95 16.813 -3.382 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.063 -3.907 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.755 -2.721 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.591 -5.575 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.595 -4.163 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.980 -6.017 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.493 -4.373 -0.070 1.00 0.00 H new ATOM 1555 N LEU A 96 15.260 -5.202 -1.223 1.00 0.00 N ATOM 1556 CA LEU A 96 14.156 -6.098 -1.614 1.00 0.00 C ATOM 1557 C LEU A 96 12.895 -5.237 -1.781 1.00 0.00 C ATOM 1558 O LEU A 96 12.722 -4.253 -1.077 1.00 0.00 O ATOM 1559 CB LEU A 96 13.992 -7.248 -0.549 1.00 0.00 C ATOM 1560 CG LEU A 96 12.730 -8.207 -0.665 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.028 -9.630 -0.122 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.492 -7.636 0.058 1.00 0.00 C ATOM 0 H LEU A 96 14.960 -4.452 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 96 14.357 -6.597 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.887 -7.869 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.969 -6.786 0.438 1.00 0.00 H new ATOM 0 HG LEU A 96 12.510 -8.275 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.138 -10.251 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.845 -10.073 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.311 -9.567 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.656 -8.327 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.718 -7.502 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.226 -6.674 -0.380 1.00 0.00 H new ATOM 1574 N ALA A 97 12.036 -5.609 -2.728 1.00 0.00 N ATOM 1575 CA ALA A 97 10.780 -4.906 -3.002 1.00 0.00 C ATOM 1576 C ALA A 97 9.692 -5.956 -3.230 1.00 0.00 C ATOM 1577 O ALA A 97 9.780 -6.707 -4.188 1.00 0.00 O ATOM 1578 CB ALA A 97 10.960 -3.985 -4.226 1.00 0.00 C ATOM 0 H ALA A 97 12.192 -6.415 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 97 10.489 -4.274 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.025 -3.463 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.745 -3.257 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.237 -4.583 -5.094 1.00 0.00 H new ATOM 1584 N VAL A 98 8.690 -6.044 -2.334 1.00 0.00 N ATOM 1585 CA VAL A 98 7.673 -7.125 -2.382 1.00 0.00 C ATOM 1586 C VAL A 98 6.233 -6.584 -2.240 1.00 0.00 C ATOM 1587 O VAL A 98 6.006 -5.515 -1.679 1.00 0.00 O ATOM 1588 CB VAL A 98 7.964 -8.214 -1.267 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.766 -7.661 0.169 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.140 -9.509 -1.487 1.00 0.00 C ATOM 0 H VAL A 98 8.559 -5.383 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 98 7.749 -7.590 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 98 9.018 -8.474 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.978 -8.447 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.444 -6.823 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.737 -7.324 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.372 -10.226 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.076 -9.272 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.392 -9.940 -2.456 1.00 0.00 H new ATOM 1600 N MET A 99 5.286 -7.345 -2.800 1.00 0.00 N ATOM 1601 CA MET A 99 3.831 -7.191 -2.612 1.00 0.00 C ATOM 1602 C MET A 99 3.218 -8.597 -2.409 1.00 0.00 C ATOM 1603 O MET A 99 3.950 -9.595 -2.342 1.00 0.00 O ATOM 1604 CB MET A 99 3.169 -6.464 -3.826 1.00 0.00 C ATOM 1605 CG MET A 99 3.440 -4.952 -3.915 1.00 0.00 C ATOM 1606 SD MET A 99 2.287 -4.083 -5.012 1.00 0.00 S ATOM 1607 CE MET A 99 2.613 -4.844 -6.603 1.00 0.00 C ATOM 0 H MET A 99 5.518 -8.118 -3.423 1.00 0.00 H new ATOM 0 HA MET A 99 3.643 -6.570 -1.736 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.520 -6.934 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.091 -6.621 -3.779 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.378 -4.519 -2.917 1.00 0.00 H new ATOM 0 HG3 MET A 99 4.458 -4.792 -4.269 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.807 -4.601 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.557 -4.469 -6.999 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.674 -5.926 -6.483 1.00 0.00 H new ATOM 1617 N GLY A 100 1.876 -8.683 -2.339 1.00 0.00 N ATOM 1618 CA GLY A 100 1.179 -9.962 -2.107 1.00 0.00 C ATOM 1619 C GLY A 100 0.936 -10.779 -3.379 1.00 0.00 C ATOM 1620 O GLY A 100 -0.012 -11.575 -3.434 1.00 0.00 O ATOM 0 H GLY A 100 1.253 -7.882 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.764 -10.561 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.221 -9.760 -1.629 1.00 0.00 H new ATOM 1624 N ASP A 101 1.826 -10.618 -4.381 1.00 0.00 N ATOM 1625 CA ASP A 101 1.659 -11.198 -5.729 1.00 0.00 C ATOM 1626 C ASP A 101 2.931 -10.971 -6.573 1.00 0.00 C ATOM 1627 O ASP A 101 3.313 -11.827 -7.371 1.00 0.00 O ATOM 1628 CB ASP A 101 0.407 -10.592 -6.450 1.00 0.00 C ATOM 1629 CG ASP A 101 0.510 -9.079 -6.762 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.881 -8.289 -5.861 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.206 -8.668 -7.905 1.00 0.00 O ATOM 0 H ASP A 101 2.685 -10.079 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 101 1.499 -12.271 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.246 -11.131 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.472 -10.762 -5.828 1.00 0.00 H new ATOM 1636 N LYS A 102 3.586 -9.807 -6.372 1.00 0.00 N ATOM 1637 CA LYS A 102 4.801 -9.391 -7.127 1.00 0.00 C ATOM 1638 C LYS A 102 6.023 -9.268 -6.191 1.00 0.00 C ATOM 1639 O LYS A 102 5.848 -9.104 -4.986 1.00 0.00 O ATOM 1640 CB LYS A 102 4.541 -8.023 -7.806 1.00 0.00 C ATOM 1641 CG LYS A 102 3.401 -7.990 -8.837 1.00 0.00 C ATOM 1642 CD LYS A 102 3.639 -8.922 -10.044 1.00 0.00 C ATOM 1643 CE LYS A 102 2.537 -8.787 -11.111 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.179 -9.061 -10.567 1.00 0.00 N ATOM 0 H LYS A 102 3.289 -9.121 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 102 5.015 -10.152 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.324 -7.289 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.459 -7.703 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.470 -8.273 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.275 -6.968 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.606 -8.693 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.684 -9.955 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.561 -7.780 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.743 -9.476 -11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.467 -8.875 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.118 -10.056 -10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.002 -8.444 -9.749 1.00 0.00 H new ATOM 1658 N ILE A 103 7.257 -9.331 -6.756 1.00 0.00 N ATOM 1659 CA ILE A 103 8.518 -9.153 -5.984 1.00 0.00 C ATOM 1660 C ILE A 103 9.746 -8.978 -6.925 1.00 0.00 C ATOM 1661 O ILE A 103 9.778 -9.519 -8.036 1.00 0.00 O ATOM 1662 CB ILE A 103 8.780 -10.355 -4.985 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.989 -10.059 -4.024 1.00 0.00 C ATOM 1664 CG2 ILE A 103 8.984 -11.679 -5.762 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.181 -11.063 -2.900 1.00 0.00 C ATOM 0 H ILE A 103 7.407 -9.505 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 103 8.390 -8.243 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 103 7.895 -10.465 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.903 -10.022 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.852 -9.070 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.162 -12.491 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.092 -11.898 -6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.842 -11.582 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.039 -10.771 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.287 -11.086 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.355 -12.053 -3.322 1.00 0.00 H new ATOM 1677 N THR A 104 10.739 -8.190 -6.460 1.00 0.00 N ATOM 1678 CA THR A 104 12.068 -8.038 -7.085 1.00 0.00 C ATOM 1679 C THR A 104 13.149 -8.026 -5.986 1.00 0.00 C ATOM 1680 O THR A 104 12.934 -7.450 -4.910 1.00 0.00 O ATOM 1681 CB THR A 104 12.174 -6.716 -7.914 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.787 -5.591 -7.107 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.316 -6.751 -9.185 1.00 0.00 C ATOM 0 H THR A 104 10.634 -7.627 -5.616 1.00 0.00 H new ATOM 0 HA THR A 104 12.215 -8.878 -7.764 1.00 0.00 H new ATOM 0 HB THR A 104 13.216 -6.617 -8.219 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.463 -4.885 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.425 -5.810 -9.724 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.642 -7.574 -9.822 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.270 -6.894 -8.914 1.00 0.00 H new ATOM 1691 N LEU A 105 14.305 -8.665 -6.253 1.00 0.00 N ATOM 1692 CA LEU A 105 15.463 -8.691 -5.319 1.00 0.00 C ATOM 1693 C LEU A 105 16.627 -7.858 -5.883 1.00 0.00 C ATOM 1694 O LEU A 105 16.844 -7.828 -7.105 1.00 0.00 O ATOM 1695 CB LEU A 105 15.911 -10.162 -5.017 1.00 0.00 C ATOM 1696 CG LEU A 105 15.270 -10.838 -3.768 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.707 -10.126 -2.480 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.734 -10.899 -3.877 1.00 0.00 C ATOM 0 H LEU A 105 14.469 -9.179 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 105 15.152 -8.244 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.686 -10.774 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.994 -10.171 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 105 15.630 -11.866 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.248 -10.614 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.792 -10.174 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.392 -9.083 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.325 -11.377 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.335 -9.888 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.454 -11.475 -4.759 1.00 0.00 H new ATOM 1710 N GLY A 106 17.368 -7.205 -4.962 1.00 0.00 N ATOM 1711 CA GLY A 106 18.481 -6.322 -5.307 1.00 0.00 C ATOM 1712 C GLY A 106 18.054 -5.147 -6.176 1.00 0.00 C ATOM 1713 O GLY A 106 17.056 -4.483 -5.880 1.00 0.00 O ATOM 0 H GLY A 106 17.203 -7.282 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.937 -5.944 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.246 -6.896 -5.830 1.00 0.00 H new ATOM 1717 N PHE A 107 18.828 -4.882 -7.239 1.00 0.00 N ATOM 1718 CA PHE A 107 18.420 -3.998 -8.336 1.00 0.00 C ATOM 1719 C PHE A 107 18.640 -4.743 -9.652 1.00 0.00 C ATOM 1720 O PHE A 107 19.625 -4.535 -10.376 1.00 0.00 O ATOM 1721 CB PHE A 107 19.154 -2.624 -8.315 1.00 0.00 C ATOM 1722 CG PHE A 107 18.734 -1.680 -9.450 1.00 0.00 C ATOM 1723 CD1 PHE A 107 17.408 -1.251 -9.566 1.00 0.00 C ATOM 1724 CD2 PHE A 107 19.655 -1.225 -10.393 1.00 0.00 C ATOM 1725 CE1 PHE A 107 17.025 -0.396 -10.582 1.00 0.00 C ATOM 1726 CE2 PHE A 107 19.268 -0.371 -11.407 1.00 0.00 C ATOM 1727 CZ PHE A 107 17.953 0.045 -11.499 1.00 0.00 C ATOM 0 H PHE A 107 19.760 -5.278 -7.360 1.00 0.00 H new ATOM 0 HA PHE A 107 17.365 -3.752 -8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 107 18.964 -2.135 -7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 107 20.229 -2.796 -8.377 1.00 0.00 H new ATOM 0 HD1 PHE A 107 16.673 -1.593 -8.852 1.00 0.00 H new ATOM 0 HD2 PHE A 107 20.685 -1.545 -10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 107 15.997 -0.073 -10.657 1.00 0.00 H new ATOM 0 HE2 PHE A 107 19.994 -0.028 -12.129 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.653 0.716 -12.290 1.00 0.00 H new ATOM 1737 N LYS A 108 17.763 -5.712 -9.884 1.00 0.00 N ATOM 1738 CA LYS A 108 17.588 -6.323 -11.194 1.00 0.00 C ATOM 1739 C LYS A 108 16.626 -5.435 -11.982 1.00 0.00 C ATOM 1740 O LYS A 108 15.421 -5.630 -11.898 1.00 0.00 O ATOM 1741 CB LYS A 108 17.032 -7.767 -11.053 1.00 0.00 C ATOM 1742 CG LYS A 108 18.042 -8.821 -10.555 1.00 0.00 C ATOM 1743 CD LYS A 108 19.123 -9.120 -11.615 1.00 0.00 C ATOM 1744 CE LYS A 108 20.141 -10.172 -11.149 1.00 0.00 C ATOM 1745 NZ LYS A 108 21.179 -10.430 -12.181 1.00 0.00 N ATOM 0 H LYS A 108 17.151 -6.097 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 108 18.542 -6.402 -11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.186 -7.747 -10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.648 -8.086 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 108 18.517 -8.466 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.514 -9.741 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.642 -9.467 -12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.648 -8.197 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.619 -9.833 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.622 -11.102 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.847 -11.145 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.726 -10.777 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.691 -9.548 -12.386 1.00 0.00 H new ATOM 1759 N GLU A 109 17.169 -4.426 -12.699 1.00 0.00 N ATOM 1760 CA GLU A 109 16.360 -3.448 -13.457 1.00 0.00 C ATOM 1761 C GLU A 109 15.440 -4.156 -14.470 1.00 0.00 C ATOM 1762 O GLU A 109 14.309 -3.718 -14.700 1.00 0.00 O ATOM 1763 CB GLU A 109 17.276 -2.427 -14.171 1.00 0.00 C ATOM 1764 CG GLU A 109 16.510 -1.318 -14.923 1.00 0.00 C ATOM 1765 CD GLU A 109 17.421 -0.254 -15.552 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.778 0.723 -14.860 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.801 -0.397 -16.732 1.00 0.00 O ATOM 0 H GLU A 109 18.174 -4.268 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 109 15.728 -2.911 -12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.933 -1.965 -13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.914 -2.958 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.905 -1.774 -15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.822 -0.831 -14.232 1.00 0.00 H new ATOM 1774 N ASP A 110 15.951 -5.267 -15.030 1.00 0.00 N ATOM 1775 CA ASP A 110 15.181 -6.197 -15.877 1.00 0.00 C ATOM 1776 C ASP A 110 13.904 -6.664 -15.151 1.00 0.00 C ATOM 1777 O ASP A 110 12.790 -6.492 -15.663 1.00 0.00 O ATOM 1778 CB ASP A 110 16.072 -7.408 -16.247 1.00 0.00 C ATOM 1779 CG ASP A 110 15.347 -8.488 -17.080 1.00 0.00 C ATOM 1780 OD1 ASP A 110 15.312 -8.373 -18.328 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.832 -9.470 -16.492 1.00 0.00 O ATOM 0 H ASP A 110 16.924 -5.548 -14.906 1.00 0.00 H new ATOM 0 HA ASP A 110 14.877 -5.683 -16.789 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.937 -7.052 -16.806 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.449 -7.862 -15.331 1.00 0.00 H new ATOM 1786 N GLN A 111 14.084 -7.227 -13.936 1.00 0.00 N ATOM 1787 CA GLN A 111 12.969 -7.665 -13.090 1.00 0.00 C ATOM 1788 C GLN A 111 12.049 -6.486 -12.716 1.00 0.00 C ATOM 1789 O GLN A 111 10.848 -6.622 -12.784 1.00 0.00 O ATOM 1790 CB GLN A 111 13.482 -8.378 -11.812 1.00 0.00 C ATOM 1791 CG GLN A 111 14.257 -9.680 -12.077 1.00 0.00 C ATOM 1792 CD GLN A 111 13.394 -10.787 -12.682 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.283 -10.905 -13.899 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.778 -11.600 -11.836 1.00 0.00 N ATOM 0 H GLN A 111 15.003 -7.387 -13.523 1.00 0.00 H new ATOM 0 HA GLN A 111 12.384 -8.379 -13.670 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.126 -7.692 -11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.631 -8.601 -11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.088 -9.469 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.687 -10.035 -11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.893 -11.472 -10.831 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.189 -12.353 -12.190 1.00 0.00 H new ATOM 1803 N TYR A 112 12.633 -5.324 -12.367 1.00 0.00 N ATOM 1804 CA TYR A 112 11.875 -4.136 -11.903 1.00 0.00 C ATOM 1805 C TYR A 112 10.873 -3.644 -12.971 1.00 0.00 C ATOM 1806 O TYR A 112 9.697 -3.383 -12.666 1.00 0.00 O ATOM 1807 CB TYR A 112 12.847 -2.994 -11.459 1.00 0.00 C ATOM 1808 CG TYR A 112 13.279 -3.058 -9.976 1.00 0.00 C ATOM 1809 CD1 TYR A 112 14.284 -3.921 -9.538 1.00 0.00 C ATOM 1810 CD2 TYR A 112 12.646 -2.266 -9.008 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.641 -3.994 -8.204 1.00 0.00 C ATOM 1812 CE2 TYR A 112 12.994 -2.345 -7.673 1.00 0.00 C ATOM 1813 CZ TYR A 112 13.989 -3.209 -7.276 1.00 0.00 C ATOM 1814 OH TYR A 112 14.322 -3.301 -5.943 1.00 0.00 O ATOM 0 H TYR A 112 13.642 -5.178 -12.397 1.00 0.00 H new ATOM 0 HA TYR A 112 11.291 -4.435 -11.033 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.738 -3.029 -12.085 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.366 -2.033 -11.643 1.00 0.00 H new ATOM 0 HD1 TYR A 112 14.794 -4.546 -10.256 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.870 -1.579 -9.312 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.428 -4.664 -7.890 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.487 -1.731 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 112 15.225 -3.672 -5.856 1.00 0.00 H new ATOM 1824 N LYS A 113 11.330 -3.565 -14.228 1.00 0.00 N ATOM 1825 CA LYS A 113 10.477 -3.119 -15.345 1.00 0.00 C ATOM 1826 C LYS A 113 9.501 -4.231 -15.782 1.00 0.00 C ATOM 1827 O LYS A 113 8.440 -3.944 -16.329 1.00 0.00 O ATOM 1828 CB LYS A 113 11.342 -2.577 -16.529 1.00 0.00 C ATOM 1829 CG LYS A 113 12.296 -3.594 -17.219 1.00 0.00 C ATOM 1830 CD LYS A 113 11.626 -4.420 -18.347 1.00 0.00 C ATOM 1831 CE LYS A 113 12.538 -5.523 -18.908 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.881 -6.292 -19.998 1.00 0.00 N ATOM 0 H LYS A 113 12.284 -3.803 -14.500 1.00 0.00 H new ATOM 0 HA LYS A 113 9.864 -2.288 -14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.669 -2.174 -17.286 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.941 -1.745 -16.160 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.147 -3.054 -17.634 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.688 -4.277 -16.466 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.711 -4.873 -17.964 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.335 -3.750 -19.156 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.458 -5.075 -19.284 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.820 -6.203 -18.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.531 -7.025 -20.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.017 -6.741 -19.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.635 -5.649 -20.777 1.00 0.00 H new ATOM 1846 N GLU A 114 9.881 -5.500 -15.552 1.00 0.00 N ATOM 1847 CA GLU A 114 9.040 -6.666 -15.900 1.00 0.00 C ATOM 1848 C GLU A 114 7.913 -6.893 -14.857 1.00 0.00 C ATOM 1849 O GLU A 114 6.797 -7.303 -15.204 1.00 0.00 O ATOM 1850 CB GLU A 114 9.942 -7.926 -16.016 1.00 0.00 C ATOM 1851 CG GLU A 114 9.231 -9.228 -16.440 1.00 0.00 C ATOM 1852 CD GLU A 114 8.547 -9.151 -17.818 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.263 -9.089 -18.844 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.299 -9.158 -17.883 1.00 0.00 O ATOM 0 H GLU A 114 10.772 -5.749 -15.123 1.00 0.00 H new ATOM 0 HA GLU A 114 8.554 -6.472 -16.856 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.734 -7.717 -16.735 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.423 -8.095 -15.052 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.959 -10.039 -16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.483 -9.482 -15.689 1.00 0.00 H new ATOM 1861 N THR A 115 8.220 -6.594 -13.585 1.00 0.00 N ATOM 1862 CA THR A 115 7.374 -6.947 -12.432 1.00 0.00 C ATOM 1863 C THR A 115 6.409 -5.809 -12.069 1.00 0.00 C ATOM 1864 O THR A 115 5.203 -6.037 -11.898 1.00 0.00 O ATOM 1865 CB THR A 115 8.268 -7.307 -11.195 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.136 -8.400 -11.534 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.463 -7.677 -9.941 1.00 0.00 C ATOM 0 H THR A 115 9.071 -6.095 -13.325 1.00 0.00 H new ATOM 0 HA THR A 115 6.778 -7.815 -12.712 1.00 0.00 H new ATOM 0 HB THR A 115 8.837 -6.410 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.909 -8.061 -12.032 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.147 -7.914 -9.126 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.832 -6.836 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.837 -8.544 -10.153 1.00 0.00 H new ATOM 1875 N TRP A 116 6.948 -4.590 -11.941 1.00 0.00 N ATOM 1876 CA TRP A 116 6.171 -3.421 -11.494 1.00 0.00 C ATOM 1877 C TRP A 116 5.617 -2.664 -12.710 1.00 0.00 C ATOM 1878 O TRP A 116 4.437 -2.301 -12.752 1.00 0.00 O ATOM 1879 CB TRP A 116 7.057 -2.470 -10.639 1.00 0.00 C ATOM 1880 CG TRP A 116 7.919 -3.169 -9.602 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.278 -3.154 -9.534 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.481 -3.985 -8.500 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.711 -3.891 -8.465 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.635 -4.416 -7.820 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.234 -4.394 -8.019 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.579 -5.218 -6.697 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.187 -5.197 -6.896 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.351 -5.602 -6.246 1.00 0.00 C ATOM 0 H TRP A 116 7.927 -4.384 -12.142 1.00 0.00 H new ATOM 0 HA TRP A 116 5.342 -3.771 -10.879 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.704 -1.901 -11.306 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.412 -1.752 -10.132 1.00 0.00 H new ATOM 0 HD1 TRP A 116 9.924 -2.634 -10.226 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.685 -4.025 -8.195 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.325 -4.088 -8.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.480 -5.531 -6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.229 -5.517 -6.514 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.279 -6.230 -5.371 1.00 0.00 H new ATOM 1899 N LEU A 117 6.499 -2.462 -13.702 1.00 0.00 N ATOM 1900 CA LEU A 117 6.270 -1.541 -14.841 1.00 0.00 C ATOM 1901 C LEU A 117 5.825 -2.302 -16.103 1.00 0.00 C ATOM 1902 O LEU A 117 5.450 -3.475 -16.012 1.00 0.00 O ATOM 1903 CB LEU A 117 7.593 -0.771 -15.102 1.00 0.00 C ATOM 1904 CG LEU A 117 8.245 -0.114 -13.848 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.621 0.488 -14.175 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.304 0.935 -13.234 1.00 0.00 C ATOM 0 H LEU A 117 7.402 -2.935 -13.742 1.00 0.00 H new ATOM 0 HA LEU A 117 5.466 -0.847 -14.595 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.312 -1.459 -15.545 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.400 0.008 -15.840 1.00 0.00 H new ATOM 0 HG LEU A 117 8.407 -0.897 -13.107 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.045 0.937 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.285 -0.297 -14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.510 1.252 -14.945 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.778 1.382 -12.360 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.095 1.711 -13.970 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.371 0.457 -12.936 1.00 0.00 H new