USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 392 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 38 ASN : amide:sc= -1.98! K(o=-2.2!,f=-4.3) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.185 USER MOD Set 2.1: A 16 TYR OH : rot -139:sc= 0.515 USER MOD Set 2.2: A 23 GLN : amide:sc= -1.14 K(o=-0.63,f=-7.5!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 GLN : amide:sc= -0.0013 X(o=-0.0013,f=-0.044) USER MOD Set 4.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 30 GLN : amide:sc= -5.72! K(o=-5.7!,f=-2.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= -0.862! (180deg=-0.92!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6) USER MOD Single : A 48 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 55 GLN : amide:sc= -0.0516 K(o=-0.052,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -5.32! C(o=-5.3!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.207 6.575 3.779 1.00 0.00 N ATOM 67 CA GLU A 8 1.955 5.951 2.701 1.00 0.00 C ATOM 68 C GLU A 8 0.997 5.325 1.685 1.00 0.00 C ATOM 69 O GLU A 8 0.004 4.706 2.062 1.00 0.00 O ATOM 70 CB GLU A 8 2.935 4.910 3.244 1.00 0.00 C ATOM 71 CG GLU A 8 4.244 5.567 3.686 1.00 0.00 C ATOM 72 CD GLU A 8 3.977 6.726 4.650 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.898 6.447 5.865 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.859 7.865 4.148 1.00 0.00 O ATOM 0 HA GLU A 8 2.538 6.721 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.484 4.386 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.140 4.163 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.882 4.827 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.785 5.932 2.813 1.00 0.00 H new ATOM 81 N ILE A 9 1.330 5.508 0.415 1.00 0.00 N ATOM 82 CA ILE A 9 0.512 4.969 -0.658 1.00 0.00 C ATOM 83 C ILE A 9 1.267 3.829 -1.345 1.00 0.00 C ATOM 84 O ILE A 9 2.493 3.859 -1.438 1.00 0.00 O ATOM 85 CB ILE A 9 0.079 6.083 -1.613 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.934 7.015 -0.944 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.455 5.504 -2.925 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.295 6.332 -0.798 1.00 0.00 C ATOM 0 H ILE A 9 2.155 6.022 0.106 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.410 4.547 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 9 0.956 6.682 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.566 7.313 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.041 7.925 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.756 6.317 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.325 4.915 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.315 4.867 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.996 7.016 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.671 6.057 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.189 5.436 -0.187 1.00 0.00 H new ATOM 100 N ALA A 10 0.503 2.851 -1.810 1.00 0.00 N ATOM 101 CA ALA A 10 1.085 1.704 -2.486 1.00 0.00 C ATOM 102 C ALA A 10 0.322 1.444 -3.786 1.00 0.00 C ATOM 103 O ALA A 10 -0.904 1.352 -3.784 1.00 0.00 O ATOM 104 CB ALA A 10 1.067 0.495 -1.548 1.00 0.00 C ATOM 0 H ALA A 10 -0.514 2.829 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 10 2.125 1.899 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.504 -0.365 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.646 0.721 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.039 0.267 -1.267 1.00 0.00 H new ATOM 110 N GLN A 11 1.081 1.333 -4.867 1.00 0.00 N ATOM 111 CA GLN A 11 0.492 1.085 -6.172 1.00 0.00 C ATOM 112 C GLN A 11 0.388 -0.420 -6.431 1.00 0.00 C ATOM 113 O GLN A 11 1.403 -1.106 -6.542 1.00 0.00 O ATOM 114 CB GLN A 11 1.295 1.776 -7.276 1.00 0.00 C ATOM 115 CG GLN A 11 0.861 1.286 -8.659 1.00 0.00 C ATOM 116 CD GLN A 11 1.267 2.283 -9.746 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.375 2.792 -9.775 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.311 2.532 -10.637 1.00 0.00 N ATOM 0 H GLN A 11 2.098 1.410 -4.866 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.513 1.506 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.158 2.855 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.358 1.580 -7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.313 0.316 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.220 1.144 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.595 2.072 -10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.484 3.183 -11.403 1.00 0.00 H new ATOM 127 N VAL A 12 -0.848 -0.889 -6.518 1.00 0.00 N ATOM 128 CA VAL A 12 -1.098 -2.299 -6.761 1.00 0.00 C ATOM 129 C VAL A 12 -0.354 -2.734 -8.025 1.00 0.00 C ATOM 130 O VAL A 12 -0.345 -2.015 -9.023 1.00 0.00 O ATOM 131 CB VAL A 12 -2.604 -2.559 -6.835 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.892 -4.015 -7.204 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.290 -2.181 -5.520 1.00 0.00 C ATOM 0 H VAL A 12 -1.687 -0.317 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.718 -2.901 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.015 -1.927 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.970 -4.172 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.451 -4.238 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.461 -4.674 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.360 -2.375 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.872 -2.775 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.128 -1.123 -5.316 1.00 0.00 H new ATOM 143 N THR A 13 0.252 -3.909 -7.942 1.00 0.00 N ATOM 144 CA THR A 13 0.997 -4.448 -9.067 1.00 0.00 C ATOM 145 C THR A 13 0.325 -5.719 -9.592 1.00 0.00 C ATOM 146 O THR A 13 0.446 -6.047 -10.771 1.00 0.00 O ATOM 147 CB THR A 13 2.442 -4.667 -8.616 1.00 0.00 C ATOM 148 OG1 THR A 13 2.340 -5.644 -7.583 1.00 0.00 O ATOM 149 CG2 THR A 13 3.028 -3.442 -7.912 1.00 0.00 C ATOM 0 H THR A 13 0.242 -4.503 -7.113 1.00 0.00 H new ATOM 0 HA THR A 13 1.005 -3.752 -9.906 1.00 0.00 H new ATOM 0 HB THR A 13 3.057 -4.918 -9.480 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.233 -5.846 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.055 -3.651 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.014 -2.590 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.433 -3.210 -7.029 1.00 0.00 H new ATOM 157 N SER A 14 -0.368 -6.399 -8.691 1.00 0.00 N ATOM 158 CA SER A 14 -1.059 -7.626 -9.048 1.00 0.00 C ATOM 159 C SER A 14 -2.474 -7.618 -8.467 1.00 0.00 C ATOM 160 O SER A 14 -2.704 -7.064 -7.392 1.00 0.00 O ATOM 161 CB SER A 14 -0.290 -8.854 -8.557 1.00 0.00 C ATOM 162 OG SER A 14 1.071 -8.836 -8.979 1.00 0.00 O ATOM 0 H SER A 14 -0.466 -6.123 -7.714 1.00 0.00 H new ATOM 0 HA SER A 14 -1.120 -7.680 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.331 -8.896 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.773 -9.757 -8.930 1.00 0.00 H new ATOM 0 HG SER A 14 1.528 -9.636 -8.644 1.00 0.00 H new ATOM 168 N ALA A 15 -3.385 -8.238 -9.202 1.00 0.00 N ATOM 169 CA ALA A 15 -4.772 -8.309 -8.772 1.00 0.00 C ATOM 170 C ALA A 15 -4.904 -9.355 -7.663 1.00 0.00 C ATOM 171 O ALA A 15 -4.307 -10.427 -7.742 1.00 0.00 O ATOM 172 CB ALA A 15 -5.664 -8.620 -9.976 1.00 0.00 C ATOM 0 H ALA A 15 -3.190 -8.696 -10.092 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.097 -7.352 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.704 -8.673 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.555 -7.833 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.369 -9.575 -10.410 1.00 0.00 H new ATOM 178 N TYR A 16 -5.690 -9.005 -6.655 1.00 0.00 N ATOM 179 CA TYR A 16 -5.909 -9.900 -5.532 1.00 0.00 C ATOM 180 C TYR A 16 -7.333 -9.761 -4.989 1.00 0.00 C ATOM 181 O TYR A 16 -7.813 -8.649 -4.774 1.00 0.00 O ATOM 182 CB TYR A 16 -4.918 -9.467 -4.449 1.00 0.00 C ATOM 183 CG TYR A 16 -4.840 -10.425 -3.259 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.089 -11.580 -3.351 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.519 -10.135 -2.093 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.015 -12.481 -2.230 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.445 -11.036 -0.973 1.00 0.00 C ATOM 188 CZ TYR A 16 -4.697 -12.165 -1.097 1.00 0.00 C ATOM 189 OH TYR A 16 -4.627 -13.017 -0.039 1.00 0.00 O ATOM 0 H TYR A 16 -6.183 -8.114 -6.593 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.770 -10.938 -5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.927 -9.375 -4.894 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.199 -8.478 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.557 -11.808 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.106 -9.231 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.431 -13.388 -2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.972 -10.820 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.513 -13.103 0.371 1.00 0.00 H new ATOM 269 N GLN A 23 -8.925 -9.837 4.870 1.00 0.00 N ATOM 270 CA GLN A 23 -8.143 -9.513 3.690 1.00 0.00 C ATOM 271 C GLN A 23 -8.855 -8.445 2.857 1.00 0.00 C ATOM 272 O GLN A 23 -10.074 -8.302 2.937 1.00 0.00 O ATOM 273 CB GLN A 23 -7.866 -10.765 2.855 1.00 0.00 C ATOM 274 CG GLN A 23 -6.805 -11.644 3.521 1.00 0.00 C ATOM 275 CD GLN A 23 -6.377 -12.784 2.594 1.00 0.00 C ATOM 276 OE1 GLN A 23 -6.535 -12.728 1.385 1.00 0.00 O ATOM 277 NE2 GLN A 23 -5.828 -13.818 3.225 1.00 0.00 N ATOM 0 HA GLN A 23 -7.183 -9.112 4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.787 -11.333 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.531 -10.476 1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.938 -11.038 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.199 -12.055 4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.725 -13.800 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.509 -14.629 2.694 1.00 0.00 H new ATOM 286 N LEU A 24 -8.063 -7.724 2.077 1.00 0.00 N ATOM 287 CA LEU A 24 -8.603 -6.674 1.230 1.00 0.00 C ATOM 288 C LEU A 24 -8.278 -6.986 -0.232 1.00 0.00 C ATOM 289 O LEU A 24 -7.127 -7.254 -0.573 1.00 0.00 O ATOM 290 CB LEU A 24 -8.103 -5.303 1.692 1.00 0.00 C ATOM 291 CG LEU A 24 -8.166 -4.182 0.653 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.601 -3.962 0.170 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.541 -2.895 1.196 1.00 0.00 C ATOM 0 H LEU A 24 -7.052 -7.846 2.014 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.689 -6.637 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.687 -4.999 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.070 -5.408 2.023 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.577 -4.486 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.618 -3.160 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.977 -4.879 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.232 -3.690 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.599 -2.114 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.081 -2.576 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.497 -3.077 1.451 1.00 0.00 H new ATOM 305 N SER A 25 -9.314 -6.941 -1.058 1.00 0.00 N ATOM 306 CA SER A 25 -9.153 -7.216 -2.475 1.00 0.00 C ATOM 307 C SER A 25 -8.351 -6.095 -3.138 1.00 0.00 C ATOM 308 O SER A 25 -8.719 -4.925 -3.046 1.00 0.00 O ATOM 309 CB SER A 25 -10.511 -7.375 -3.163 1.00 0.00 C ATOM 310 OG SER A 25 -11.511 -7.852 -2.267 1.00 0.00 O ATOM 0 H SER A 25 -10.267 -6.718 -0.772 1.00 0.00 H new ATOM 0 HA SER A 25 -8.610 -8.155 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.822 -6.416 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.415 -8.067 -4.000 1.00 0.00 H new ATOM 0 HG SER A 25 -12.363 -7.938 -2.744 1.00 0.00 H new ATOM 316 N LEU A 26 -7.268 -6.492 -3.791 1.00 0.00 N ATOM 317 CA LEU A 26 -6.410 -5.536 -4.469 1.00 0.00 C ATOM 318 C LEU A 26 -6.673 -5.599 -5.975 1.00 0.00 C ATOM 319 O LEU A 26 -7.141 -6.616 -6.485 1.00 0.00 O ATOM 320 CB LEU A 26 -4.946 -5.766 -4.090 1.00 0.00 C ATOM 321 CG LEU A 26 -4.657 -5.922 -2.596 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.214 -6.373 -2.361 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.986 -4.635 -1.837 1.00 0.00 C ATOM 0 H LEU A 26 -6.966 -7.463 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.642 -4.521 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.595 -6.661 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.358 -4.930 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.307 -6.703 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.035 -6.476 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.048 -7.333 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.529 -5.632 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.772 -4.773 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.379 -3.818 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.042 -4.397 -1.966 1.00 0.00 H new ATOM 335 N ALA A 27 -6.360 -4.500 -6.645 1.00 0.00 N ATOM 336 CA ALA A 27 -6.557 -4.418 -8.083 1.00 0.00 C ATOM 337 C ALA A 27 -5.411 -3.617 -8.705 1.00 0.00 C ATOM 338 O ALA A 27 -4.975 -2.613 -8.144 1.00 0.00 O ATOM 339 CB ALA A 27 -7.926 -3.801 -8.377 1.00 0.00 C ATOM 0 H ALA A 27 -5.971 -3.659 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.545 -5.412 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.073 -3.740 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.707 -4.423 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.974 -2.801 -7.947 1.00 0.00 H new ATOM 345 N PRO A 28 -4.944 -4.104 -9.886 1.00 0.00 N ATOM 346 CA PRO A 28 -3.858 -3.445 -10.590 1.00 0.00 C ATOM 347 C PRO A 28 -4.343 -2.164 -11.271 1.00 0.00 C ATOM 348 O PRO A 28 -5.114 -2.219 -12.228 1.00 0.00 O ATOM 349 CB PRO A 28 -3.341 -4.482 -11.574 1.00 0.00 C ATOM 350 CG PRO A 28 -4.448 -5.515 -11.711 1.00 0.00 C ATOM 351 CD PRO A 28 -5.437 -5.291 -10.579 1.00 0.00 C ATOM 0 HA PRO A 28 -3.062 -3.117 -9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.111 -4.026 -12.537 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.421 -4.941 -11.211 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.944 -5.417 -12.676 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.037 -6.523 -11.665 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.447 -5.137 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.476 -6.152 -9.911 1.00 0.00 H new ATOM 359 N GLY A 29 -3.872 -1.040 -10.750 1.00 0.00 N ATOM 360 CA GLY A 29 -4.248 0.253 -11.296 1.00 0.00 C ATOM 361 C GLY A 29 -5.055 1.063 -10.279 1.00 0.00 C ATOM 362 O GLY A 29 -5.775 1.989 -10.649 1.00 0.00 O ATOM 0 H GLY A 29 -3.233 -0.998 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.353 0.807 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.836 0.112 -12.203 1.00 0.00 H new ATOM 366 N GLN A 30 -4.909 0.684 -9.018 1.00 0.00 N ATOM 367 CA GLN A 30 -5.615 1.364 -7.946 1.00 0.00 C ATOM 368 C GLN A 30 -4.620 1.943 -6.938 1.00 0.00 C ATOM 369 O GLN A 30 -3.409 1.823 -7.117 1.00 0.00 O ATOM 370 CB GLN A 30 -6.606 0.422 -7.258 1.00 0.00 C ATOM 371 CG GLN A 30 -7.839 0.190 -8.134 1.00 0.00 C ATOM 372 CD GLN A 30 -9.047 -0.212 -7.284 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.072 0.449 -7.264 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.868 -1.330 -6.585 1.00 0.00 N ATOM 0 H GLN A 30 -4.312 -0.085 -8.715 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.185 2.186 -8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.121 -0.531 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.910 0.844 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.069 1.097 -8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.628 -0.590 -8.865 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.984 -1.835 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.615 -1.682 -5.986 1.00 0.00 H new ATOM 383 N LEU A 31 -5.168 2.559 -5.901 1.00 0.00 N ATOM 384 CA LEU A 31 -4.344 3.157 -4.864 1.00 0.00 C ATOM 385 C LEU A 31 -4.920 2.802 -3.492 1.00 0.00 C ATOM 386 O LEU A 31 -6.136 2.786 -3.311 1.00 0.00 O ATOM 387 CB LEU A 31 -4.196 4.661 -5.099 1.00 0.00 C ATOM 388 CG LEU A 31 -3.367 5.072 -6.317 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.467 6.579 -6.565 1.00 0.00 C ATOM 390 CD2 LEU A 31 -1.915 4.610 -6.173 1.00 0.00 C ATOM 0 H LEU A 31 -6.173 2.657 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.333 2.751 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.192 5.092 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.745 5.105 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.778 4.573 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.869 6.845 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.508 6.850 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.096 7.117 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.347 4.915 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.476 5.061 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.886 3.524 -6.081 1.00 0.00 H new ATOM 402 N ILE A 32 -4.018 2.525 -2.561 1.00 0.00 N ATOM 403 CA ILE A 32 -4.422 2.172 -1.211 1.00 0.00 C ATOM 404 C ILE A 32 -3.591 2.975 -0.208 1.00 0.00 C ATOM 405 O ILE A 32 -2.461 3.362 -0.502 1.00 0.00 O ATOM 406 CB ILE A 32 -4.338 0.658 -1.006 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.576 -0.042 -1.572 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.110 0.315 0.468 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.211 -1.400 -2.173 1.00 0.00 C ATOM 0 H ILE A 32 -3.010 2.538 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.466 2.436 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.476 0.286 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.315 -0.177 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.036 0.586 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.054 -0.767 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.177 0.765 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.936 0.702 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.108 -1.876 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.490 -1.259 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.774 -2.034 -1.401 1.00 0.00 H new ATOM 421 N LEU A 33 -4.183 3.201 0.956 1.00 0.00 N ATOM 422 CA LEU A 33 -3.511 3.951 2.004 1.00 0.00 C ATOM 423 C LEU A 33 -3.084 2.992 3.117 1.00 0.00 C ATOM 424 O LEU A 33 -3.926 2.372 3.764 1.00 0.00 O ATOM 425 CB LEU A 33 -4.395 5.102 2.489 1.00 0.00 C ATOM 426 CG LEU A 33 -3.771 6.034 3.529 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.081 7.223 2.857 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.811 6.482 4.558 1.00 0.00 C ATOM 0 H LEU A 33 -5.120 2.878 1.196 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.604 4.417 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.688 5.698 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.308 4.680 2.909 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.003 5.479 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.646 7.870 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.294 6.861 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.811 7.787 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.341 7.144 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.618 7.013 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.216 5.609 5.070 1.00 0.00 H new ATOM 440 N ILE A 34 -1.776 2.902 3.306 1.00 0.00 N ATOM 441 CA ILE A 34 -1.226 2.029 4.329 1.00 0.00 C ATOM 442 C ILE A 34 -1.584 2.582 5.710 1.00 0.00 C ATOM 443 O ILE A 34 -1.211 3.704 6.050 1.00 0.00 O ATOM 444 CB ILE A 34 0.276 1.833 4.116 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.569 1.337 2.698 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.865 0.905 5.180 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.079 -0.026 2.450 1.00 0.00 C ATOM 0 H ILE A 34 -1.081 3.419 2.768 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.666 1.034 4.258 1.00 0.00 H new ATOM 0 HB ILE A 34 0.765 2.801 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.195 2.059 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.646 1.264 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.934 0.783 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.706 1.337 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.375 -0.067 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.144 -0.356 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.315 -0.751 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.159 0.056 2.575 1.00 0.00 H new ATOM 459 N LEU A 35 -2.303 1.769 6.470 1.00 0.00 N ATOM 460 CA LEU A 35 -2.716 2.163 7.806 1.00 0.00 C ATOM 461 C LEU A 35 -1.896 1.385 8.838 1.00 0.00 C ATOM 462 O LEU A 35 -1.504 1.935 9.866 1.00 0.00 O ATOM 463 CB LEU A 35 -4.228 1.997 7.971 1.00 0.00 C ATOM 464 CG LEU A 35 -5.085 2.448 6.786 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.240 1.475 6.544 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.576 3.884 6.980 1.00 0.00 C ATOM 0 H LEU A 35 -2.610 0.839 6.186 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.515 3.222 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.439 0.946 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.541 2.555 8.853 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.463 2.439 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.834 1.818 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.842 0.483 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.869 1.429 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.183 4.180 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.176 3.944 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.720 4.553 7.066 1.00 0.00 H new ATOM 478 N LYS A 36 -1.661 0.119 8.527 1.00 0.00 N ATOM 479 CA LYS A 36 -0.894 -0.739 9.415 1.00 0.00 C ATOM 480 C LYS A 36 -0.069 -1.721 8.581 1.00 0.00 C ATOM 481 O LYS A 36 -0.427 -2.030 7.445 1.00 0.00 O ATOM 482 CB LYS A 36 -1.815 -1.418 10.431 1.00 0.00 C ATOM 483 CG LYS A 36 -1.169 -1.455 11.818 1.00 0.00 C ATOM 484 CD LYS A 36 -1.847 -2.495 12.711 1.00 0.00 C ATOM 485 CE LYS A 36 -2.501 -1.833 13.925 1.00 0.00 C ATOM 486 NZ LYS A 36 -1.745 -2.150 15.158 1.00 0.00 N ATOM 0 H LYS A 36 -1.988 -0.333 7.673 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.190 -0.148 10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.763 -0.883 10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.039 -2.433 10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.108 -1.688 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.239 -0.471 12.282 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.600 -3.036 12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.112 -3.228 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.538 -0.753 13.782 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.530 -2.177 14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.202 -1.693 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.731 -3.180 15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.770 -1.800 15.067 1.00 0.00 H new ATOM 500 N LYS A 37 1.019 -2.185 9.177 1.00 0.00 N ATOM 501 CA LYS A 37 1.898 -3.126 8.503 1.00 0.00 C ATOM 502 C LYS A 37 2.140 -4.333 9.413 1.00 0.00 C ATOM 503 O LYS A 37 1.835 -4.288 10.603 1.00 0.00 O ATOM 504 CB LYS A 37 3.183 -2.430 8.051 1.00 0.00 C ATOM 505 CG LYS A 37 2.926 -1.544 6.830 1.00 0.00 C ATOM 506 CD LYS A 37 4.242 -1.082 6.201 1.00 0.00 C ATOM 507 CE LYS A 37 4.052 0.227 5.432 1.00 0.00 C ATOM 508 NZ LYS A 37 3.759 -0.047 4.008 1.00 0.00 N ATOM 0 H LYS A 37 1.312 -1.927 10.119 1.00 0.00 H new ATOM 0 HA LYS A 37 1.429 -3.501 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.580 -1.825 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.940 -3.176 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.340 -2.094 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.335 -0.677 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.993 -0.945 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.618 -1.852 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.237 0.800 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.951 0.837 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.767 0.845 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.481 -0.688 3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.822 -0.491 3.926 1.00 0.00 H new ATOM 522 N ASN A 38 2.684 -5.383 8.816 1.00 0.00 N ATOM 523 CA ASN A 38 2.970 -6.599 9.558 1.00 0.00 C ATOM 524 C ASN A 38 4.220 -7.264 8.976 1.00 0.00 C ATOM 525 O ASN A 38 4.338 -7.416 7.761 1.00 0.00 O ATOM 526 CB ASN A 38 1.813 -7.594 9.452 1.00 0.00 C ATOM 527 CG ASN A 38 2.109 -8.867 10.247 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.992 -8.914 11.087 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.325 -9.895 9.935 1.00 0.00 N ATOM 0 H ASN A 38 2.934 -5.417 7.828 1.00 0.00 H new ATOM 0 HA ASN A 38 3.119 -6.329 10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.898 -7.134 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.641 -7.846 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.445 -10.790 10.409 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.604 -9.788 9.221 1.00 0.00 H new ATOM 536 N THR A 39 5.121 -7.643 9.871 1.00 0.00 N ATOM 537 CA THR A 39 6.357 -8.287 9.462 1.00 0.00 C ATOM 538 C THR A 39 6.076 -9.354 8.401 1.00 0.00 C ATOM 539 O THR A 39 6.767 -9.421 7.386 1.00 0.00 O ATOM 540 CB THR A 39 7.038 -8.841 10.715 1.00 0.00 C ATOM 541 OG1 THR A 39 6.119 -9.810 11.211 1.00 0.00 O ATOM 542 CG2 THR A 39 7.131 -7.805 11.837 1.00 0.00 C ATOM 0 H THR A 39 5.019 -7.516 10.878 1.00 0.00 H new ATOM 0 HA THR A 39 7.037 -7.577 8.992 1.00 0.00 H new ATOM 0 HB THR A 39 8.039 -9.190 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.483 -10.220 12.023 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.622 -8.249 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.708 -6.947 11.493 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.129 -7.480 12.116 1.00 0.00 H new ATOM 550 N SER A 40 5.061 -10.161 8.674 1.00 0.00 N ATOM 551 CA SER A 40 4.681 -11.221 7.756 1.00 0.00 C ATOM 552 C SER A 40 4.614 -10.677 6.327 1.00 0.00 C ATOM 553 O SER A 40 4.903 -11.396 5.372 1.00 0.00 O ATOM 554 CB SER A 40 3.338 -11.838 8.153 1.00 0.00 C ATOM 555 OG SER A 40 3.474 -13.196 8.561 1.00 0.00 O ATOM 0 H SER A 40 4.491 -10.102 9.517 1.00 0.00 H new ATOM 0 HA SER A 40 5.438 -12.004 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.898 -11.258 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.649 -11.780 7.310 1.00 0.00 H new ATOM 0 HG SER A 40 2.595 -13.553 8.808 1.00 0.00 H new ATOM 561 N GLY A 41 4.231 -9.413 6.227 1.00 0.00 N ATOM 562 CA GLY A 41 4.122 -8.765 4.931 1.00 0.00 C ATOM 563 C GLY A 41 2.709 -8.223 4.706 1.00 0.00 C ATOM 564 O GLY A 41 2.492 -7.392 3.825 1.00 0.00 O ATOM 0 H GLY A 41 3.992 -8.820 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.843 -7.950 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.373 -9.475 4.143 1.00 0.00 H new ATOM 568 N TRP A 42 1.785 -8.715 5.517 1.00 0.00 N ATOM 569 CA TRP A 42 0.399 -8.290 5.418 1.00 0.00 C ATOM 570 C TRP A 42 0.322 -6.822 5.841 1.00 0.00 C ATOM 571 O TRP A 42 0.795 -6.458 6.917 1.00 0.00 O ATOM 572 CB TRP A 42 -0.514 -9.199 6.243 1.00 0.00 C ATOM 573 CG TRP A 42 -0.718 -10.590 5.640 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.047 -11.717 5.917 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.690 -10.959 4.639 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.514 -12.780 5.172 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.545 -12.305 4.370 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.661 -10.181 3.983 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.336 -12.990 3.440 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.443 -10.882 3.057 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.309 -12.236 2.775 1.00 0.00 C ATOM 0 H TRP A 42 1.969 -9.404 6.246 1.00 0.00 H new ATOM 0 HA TRP A 42 0.043 -8.375 4.391 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.095 -9.306 7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.485 -8.717 6.354 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.758 -11.784 6.634 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.167 -13.738 5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.793 -9.127 4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.202 -14.044 3.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.204 -10.331 2.524 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.953 -12.704 2.046 1.00 0.00 H new ATOM 592 N TRP A 43 -0.276 -6.019 4.974 1.00 0.00 N ATOM 593 CA TRP A 43 -0.420 -4.599 5.245 1.00 0.00 C ATOM 594 C TRP A 43 -1.912 -4.295 5.393 1.00 0.00 C ATOM 595 O TRP A 43 -2.737 -4.844 4.663 1.00 0.00 O ATOM 596 CB TRP A 43 0.255 -3.762 4.156 1.00 0.00 C ATOM 597 CG TRP A 43 1.784 -3.802 4.199 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.568 -4.488 5.041 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.687 -3.096 3.322 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.905 -4.277 4.774 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.980 -3.403 3.695 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.421 -2.227 2.250 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.108 -2.884 3.048 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.559 -1.716 1.614 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.867 -2.015 1.977 1.00 0.00 C ATOM 0 H TRP A 43 -0.667 -6.325 4.083 1.00 0.00 H new ATOM 0 HA TRP A 43 0.084 -4.330 6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.080 -4.115 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.074 -2.727 4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.200 -5.126 5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.693 -4.687 5.276 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.418 -1.973 1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.110 -3.140 3.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.410 -1.042 0.783 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.693 -1.579 1.435 1.00 0.00 H new ATOM 616 N GLN A 44 -2.214 -3.423 6.343 1.00 0.00 N ATOM 617 CA GLN A 44 -3.592 -3.039 6.597 1.00 0.00 C ATOM 618 C GLN A 44 -3.831 -1.593 6.156 1.00 0.00 C ATOM 619 O GLN A 44 -3.582 -0.660 6.918 1.00 0.00 O ATOM 620 CB GLN A 44 -3.952 -3.230 8.071 1.00 0.00 C ATOM 621 CG GLN A 44 -5.462 -3.112 8.287 1.00 0.00 C ATOM 622 CD GLN A 44 -5.808 -3.151 9.777 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.983 -2.897 10.639 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.071 -3.482 10.031 1.00 0.00 N ATOM 0 H GLN A 44 -1.527 -2.971 6.947 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.243 -3.688 6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.608 -4.207 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.435 -2.484 8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.824 -2.181 7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.971 -3.925 7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.710 -3.683 9.262 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.400 -3.535 10.995 1.00 0.00 H new ATOM 633 N GLY A 45 -4.311 -1.453 4.929 1.00 0.00 N ATOM 634 CA GLY A 45 -4.586 -0.137 4.379 1.00 0.00 C ATOM 635 C GLY A 45 -6.044 -0.024 3.932 1.00 0.00 C ATOM 636 O GLY A 45 -6.822 -0.962 4.095 1.00 0.00 O ATOM 0 H GLY A 45 -4.516 -2.230 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.371 0.626 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.926 0.052 3.532 1.00 0.00 H new ATOM 640 N GLU A 46 -6.371 1.134 3.376 1.00 0.00 N ATOM 641 CA GLU A 46 -7.723 1.383 2.904 1.00 0.00 C ATOM 642 C GLU A 46 -7.700 1.834 1.443 1.00 0.00 C ATOM 643 O GLU A 46 -7.012 2.793 1.096 1.00 0.00 O ATOM 644 CB GLU A 46 -8.430 2.414 3.786 1.00 0.00 C ATOM 645 CG GLU A 46 -9.751 2.861 3.155 1.00 0.00 C ATOM 646 CD GLU A 46 -9.777 4.377 2.953 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.418 5.084 3.920 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.154 4.795 1.837 1.00 0.00 O ATOM 0 H GLU A 46 -5.723 1.910 3.242 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.287 0.452 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.619 1.987 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.782 3.278 3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.888 2.360 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.583 2.561 3.793 1.00 0.00 H new ATOM 655 N LEU A 47 -8.461 1.121 0.625 1.00 0.00 N ATOM 656 CA LEU A 47 -8.537 1.437 -0.792 1.00 0.00 C ATOM 657 C LEU A 47 -8.967 2.895 -0.963 1.00 0.00 C ATOM 658 O LEU A 47 -9.944 3.333 -0.356 1.00 0.00 O ATOM 659 CB LEU A 47 -9.443 0.439 -1.515 1.00 0.00 C ATOM 660 CG LEU A 47 -8.943 -0.060 -2.872 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.704 -1.313 -3.311 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.013 1.050 -3.924 1.00 0.00 C ATOM 0 H LEU A 47 -9.030 0.326 0.916 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.557 1.338 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.591 -0.423 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.419 0.902 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.895 -0.340 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.329 -1.646 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.560 -2.103 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.766 -1.083 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.652 0.669 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.045 1.383 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.392 1.889 -3.610 1.00 0.00 H new ATOM 674 N GLN A 48 -8.218 3.607 -1.792 1.00 0.00 N ATOM 675 CA GLN A 48 -8.510 5.006 -2.050 1.00 0.00 C ATOM 676 C GLN A 48 -9.458 5.139 -3.244 1.00 0.00 C ATOM 677 O GLN A 48 -9.449 6.154 -3.938 1.00 0.00 O ATOM 678 CB GLN A 48 -7.224 5.801 -2.281 1.00 0.00 C ATOM 679 CG GLN A 48 -6.461 6.003 -0.970 1.00 0.00 C ATOM 680 CD GLN A 48 -7.180 7.006 -0.066 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.214 8.198 -0.321 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.753 6.457 1.002 1.00 0.00 N ATOM 0 H GLN A 48 -7.409 3.241 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.003 5.422 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.591 5.276 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.465 6.770 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.361 5.049 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.453 6.358 -1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.686 5.451 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.259 7.042 1.667 1.00 0.00 H new ATOM 800 N GLN A 55 -12.755 0.580 1.174 1.00 0.00 N ATOM 801 CA GLN A 55 -12.250 -0.755 1.445 1.00 0.00 C ATOM 802 C GLN A 55 -11.153 -0.702 2.511 1.00 0.00 C ATOM 803 O GLN A 55 -10.412 0.276 2.595 1.00 0.00 O ATOM 804 CB GLN A 55 -11.738 -1.418 0.165 1.00 0.00 C ATOM 805 CG GLN A 55 -12.719 -2.483 -0.331 1.00 0.00 C ATOM 806 CD GLN A 55 -13.863 -1.847 -1.124 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.930 -0.643 -1.310 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.756 -2.720 -1.580 1.00 0.00 N ATOM 0 HA GLN A 55 -13.071 -1.362 1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.594 -0.663 -0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.765 -1.873 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.193 -3.203 -0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.123 -3.035 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.640 -3.715 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.557 -2.395 -2.121 1.00 0.00 H new ATOM 817 N LYS A 56 -11.084 -1.766 3.297 1.00 0.00 N ATOM 818 CA LYS A 56 -10.091 -1.852 4.354 1.00 0.00 C ATOM 819 C LYS A 56 -9.918 -3.315 4.767 1.00 0.00 C ATOM 820 O LYS A 56 -10.890 -3.985 5.112 1.00 0.00 O ATOM 821 CB LYS A 56 -10.459 -0.925 5.514 1.00 0.00 C ATOM 822 CG LYS A 56 -9.206 -0.413 6.226 1.00 0.00 C ATOM 823 CD LYS A 56 -8.865 -1.289 7.433 1.00 0.00 C ATOM 824 CE LYS A 56 -8.942 -0.486 8.733 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.333 -0.450 9.238 1.00 0.00 N ATOM 0 H LYS A 56 -11.700 -2.576 3.223 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.122 -1.504 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.039 -0.081 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.092 -1.458 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.367 -0.403 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.363 0.615 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.554 -2.132 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.863 -1.702 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.288 -0.932 9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.584 0.529 8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.368 0.099 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.949 -0.004 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.661 -1.420 9.420 1.00 0.00 H new ATOM 839 N GLY A 57 -8.674 -3.768 4.719 1.00 0.00 N ATOM 840 CA GLY A 57 -8.362 -5.139 5.085 1.00 0.00 C ATOM 841 C GLY A 57 -6.849 -5.367 5.115 1.00 0.00 C ATOM 842 O GLY A 57 -6.072 -4.433 4.925 1.00 0.00 O ATOM 0 H GLY A 57 -7.870 -3.210 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.787 -5.364 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.823 -5.823 4.373 1.00 0.00 H new ATOM 846 N TRP A 58 -6.476 -6.616 5.354 1.00 0.00 N ATOM 847 CA TRP A 58 -5.070 -6.979 5.411 1.00 0.00 C ATOM 848 C TRP A 58 -4.697 -7.634 4.079 1.00 0.00 C ATOM 849 O TRP A 58 -5.114 -8.756 3.797 1.00 0.00 O ATOM 850 CB TRP A 58 -4.784 -7.874 6.618 1.00 0.00 C ATOM 851 CG TRP A 58 -4.851 -7.146 7.962 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.933 -6.897 8.712 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.740 -6.580 8.690 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.603 -6.214 9.865 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.227 -6.016 9.851 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.370 -6.547 8.377 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.412 -5.377 10.793 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.569 -5.904 9.328 1.00 0.00 C ATOM 859 CH2 TRP A 58 -2.043 -5.331 10.502 1.00 0.00 C ATOM 0 H TRP A 58 -7.123 -7.389 5.510 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.448 -6.095 5.551 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.500 -8.696 6.626 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.794 -8.315 6.504 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.937 -7.194 8.448 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.250 -5.910 10.593 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.967 -6.983 7.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.817 -4.943 11.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.508 -5.849 9.136 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.359 -4.852 11.187 1.00 0.00 H new ATOM 870 N PHE A 59 -3.915 -6.905 3.297 1.00 0.00 N ATOM 871 CA PHE A 59 -3.480 -7.401 2.002 1.00 0.00 C ATOM 872 C PHE A 59 -1.956 -7.529 1.947 1.00 0.00 C ATOM 873 O PHE A 59 -1.246 -6.862 2.697 1.00 0.00 O ATOM 874 CB PHE A 59 -3.932 -6.379 0.957 1.00 0.00 C ATOM 875 CG PHE A 59 -3.176 -5.051 1.018 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.912 -4.965 0.524 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.768 -3.956 1.565 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.209 -3.732 0.580 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.066 -2.723 1.621 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.801 -2.637 1.128 1.00 0.00 C ATOM 0 H PHE A 59 -3.571 -5.975 3.535 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.907 -8.387 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.808 -6.811 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.997 -6.186 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.442 -5.835 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.772 -4.024 1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.205 -3.664 0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.536 -1.853 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.267 -1.699 1.172 1.00 0.00 H new ATOM 890 N PRO A 60 -1.487 -8.414 1.027 1.00 0.00 N ATOM 891 CA PRO A 60 -0.060 -8.638 0.864 1.00 0.00 C ATOM 892 C PRO A 60 0.597 -7.470 0.127 1.00 0.00 C ATOM 893 O PRO A 60 0.095 -7.019 -0.901 1.00 0.00 O ATOM 894 CB PRO A 60 0.048 -9.953 0.110 1.00 0.00 C ATOM 895 CG PRO A 60 -1.314 -10.182 -0.527 1.00 0.00 C ATOM 896 CD PRO A 60 -2.298 -9.222 0.122 1.00 0.00 C ATOM 0 HA PRO A 60 0.469 -8.696 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.830 -9.906 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.306 -10.770 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.266 -10.011 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.635 -11.214 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.796 -8.602 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.078 -9.759 0.662 1.00 0.00 H new ATOM 904 N ALA A 61 1.711 -7.013 0.682 1.00 0.00 N ATOM 905 CA ALA A 61 2.442 -5.906 0.090 1.00 0.00 C ATOM 906 C ALA A 61 3.116 -6.378 -1.201 1.00 0.00 C ATOM 907 O ALA A 61 3.641 -5.568 -1.963 1.00 0.00 O ATOM 908 CB ALA A 61 3.447 -5.357 1.104 1.00 0.00 C ATOM 0 H ALA A 61 2.124 -7.390 1.535 1.00 0.00 H new ATOM 0 HA ALA A 61 1.763 -5.093 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.995 -4.526 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.916 -5.009 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.146 -6.144 1.386 1.00 0.00 H new ATOM 914 N SER A 62 3.078 -7.686 -1.406 1.00 0.00 N ATOM 915 CA SER A 62 3.678 -8.275 -2.591 1.00 0.00 C ATOM 916 C SER A 62 2.778 -8.040 -3.806 1.00 0.00 C ATOM 917 O SER A 62 3.215 -8.191 -4.946 1.00 0.00 O ATOM 918 CB SER A 62 3.926 -9.772 -2.397 1.00 0.00 C ATOM 919 OG SER A 62 4.992 -10.247 -3.215 1.00 0.00 O ATOM 0 H SER A 62 2.641 -8.355 -0.772 1.00 0.00 H new ATOM 0 HA SER A 62 4.641 -7.793 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.157 -9.968 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.016 -10.324 -2.631 1.00 0.00 H new ATOM 0 HG SER A 62 5.120 -11.206 -3.061 1.00 0.00 H new ATOM 925 N HIS A 63 1.537 -7.673 -3.521 1.00 0.00 N ATOM 926 CA HIS A 63 0.571 -7.415 -4.576 1.00 0.00 C ATOM 927 C HIS A 63 0.596 -5.930 -4.942 1.00 0.00 C ATOM 928 O HIS A 63 -0.025 -5.518 -5.920 1.00 0.00 O ATOM 929 CB HIS A 63 -0.821 -7.903 -4.169 1.00 0.00 C ATOM 930 CG HIS A 63 -1.160 -9.284 -4.677 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.848 -9.500 -5.858 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.899 -10.516 -4.152 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.990 -10.807 -6.027 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.401 -11.434 -4.968 1.00 0.00 N ATOM 0 H HIS A 63 1.178 -7.548 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 63 0.842 -7.978 -5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.893 -7.899 -3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.565 -7.198 -4.540 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.373 -10.711 -3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.485 -11.290 -6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.354 -12.443 -4.827 1.00 0.00 H new ATOM 942 N VAL A 64 1.320 -5.167 -4.136 1.00 0.00 N ATOM 943 CA VAL A 64 1.433 -3.736 -4.363 1.00 0.00 C ATOM 944 C VAL A 64 2.903 -3.324 -4.267 1.00 0.00 C ATOM 945 O VAL A 64 3.763 -4.147 -3.957 1.00 0.00 O ATOM 946 CB VAL A 64 0.534 -2.978 -3.385 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.823 -3.669 -3.239 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.217 -2.818 -2.025 1.00 0.00 C ATOM 0 H VAL A 64 1.834 -5.512 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 64 1.088 -3.480 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 64 0.360 -1.982 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.443 -3.110 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.318 -3.708 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.677 -4.682 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.557 -2.276 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.435 -3.802 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.147 -2.262 -2.148 1.00 0.00 H new ATOM 958 N LYS A 65 3.147 -2.050 -4.538 1.00 0.00 N ATOM 959 CA LYS A 65 4.498 -1.519 -4.486 1.00 0.00 C ATOM 960 C LYS A 65 4.468 -0.122 -3.862 1.00 0.00 C ATOM 961 O LYS A 65 3.708 0.741 -4.299 1.00 0.00 O ATOM 962 CB LYS A 65 5.144 -1.559 -5.873 1.00 0.00 C ATOM 963 CG LYS A 65 4.781 -0.314 -6.683 1.00 0.00 C ATOM 964 CD LYS A 65 5.466 -0.331 -8.051 1.00 0.00 C ATOM 965 CE LYS A 65 6.366 0.893 -8.229 1.00 0.00 C ATOM 966 NZ LYS A 65 5.783 1.825 -9.220 1.00 0.00 N ATOM 0 H LYS A 65 2.431 -1.370 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 65 5.127 -2.141 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.227 -1.628 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.816 -2.452 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.700 -0.264 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.078 0.580 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.058 -1.240 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.713 -0.351 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.492 1.401 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.357 0.579 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.406 2.650 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.685 1.342 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.847 2.139 -8.893 1.00 0.00 H new ATOM 980 N LEU A 66 5.305 0.058 -2.851 1.00 0.00 N ATOM 981 CA LEU A 66 5.384 1.335 -2.162 1.00 0.00 C ATOM 982 C LEU A 66 5.724 2.433 -3.172 1.00 0.00 C ATOM 983 O LEU A 66 6.490 2.205 -4.108 1.00 0.00 O ATOM 984 CB LEU A 66 6.364 1.252 -0.990 1.00 0.00 C ATOM 985 CG LEU A 66 5.749 0.956 0.379 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.833 0.633 1.409 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.849 2.107 0.835 1.00 0.00 C ATOM 0 H LEU A 66 5.935 -0.660 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 66 4.420 1.592 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.099 0.478 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.905 2.196 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 66 5.119 0.071 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.369 0.427 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.396 -0.241 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.508 1.483 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.424 1.872 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.437 3.022 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.044 2.248 0.113 1.00 0.00 H new ATOM 999 N LEU A 67 5.139 3.600 -2.948 1.00 0.00 N ATOM 1000 CA LEU A 67 5.371 4.734 -3.826 1.00 0.00 C ATOM 1001 C LEU A 67 6.383 5.679 -3.177 1.00 0.00 C ATOM 1002 O LEU A 67 6.543 6.818 -3.612 1.00 0.00 O ATOM 1003 CB LEU A 67 4.046 5.409 -4.191 1.00 0.00 C ATOM 1004 CG LEU A 67 3.163 4.657 -5.189 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.170 5.605 -5.864 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.013 3.896 -6.208 1.00 0.00 C ATOM 0 H LEU A 67 4.505 3.785 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 67 5.805 4.402 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.475 5.563 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.264 6.395 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 67 2.580 3.917 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.554 5.046 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.532 6.062 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.715 6.384 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.361 3.370 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.640 4.599 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.645 3.176 -5.689 1.00 0.00 H new