USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=9 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= -3.24 K(o=-3.2,f=-5.5!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.0367 USER MOD Set 2.1: A 13 THR OG1 : rot -49:sc= 0.336 USER MOD Set 2.2: A 14 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 16 TYR OH : rot 76:sc= 1.26 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -4.13! C(o=-6.9!,f=-4.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.3) USER MOD Single : A 55 GLN : amide:sc= -0.558 K(o=-0.56,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -36:sc= 0.144 USER MOD Single : A 63 HIS : no HE2:sc= -4.03! C(o=-4!,f=-9.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.539 6.591 3.792 1.00 0.00 N ATOM 67 CA GLU A 8 2.266 5.772 2.836 1.00 0.00 C ATOM 68 C GLU A 8 1.301 5.167 1.814 1.00 0.00 C ATOM 69 O GLU A 8 0.443 4.360 2.168 1.00 0.00 O ATOM 70 CB GLU A 8 3.067 4.680 3.547 1.00 0.00 C ATOM 71 CG GLU A 8 4.552 5.043 3.610 1.00 0.00 C ATOM 72 CD GLU A 8 5.424 3.786 3.608 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.096 2.866 4.389 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.399 3.773 2.826 1.00 0.00 O ATOM 0 HA GLU A 8 2.974 6.409 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.680 4.539 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.942 3.733 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.813 5.672 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.750 5.626 4.510 1.00 0.00 H new ATOM 81 N ILE A 9 1.474 5.582 0.568 1.00 0.00 N ATOM 82 CA ILE A 9 0.629 5.091 -0.508 1.00 0.00 C ATOM 83 C ILE A 9 1.333 3.930 -1.214 1.00 0.00 C ATOM 84 O ILE A 9 2.560 3.890 -1.276 1.00 0.00 O ATOM 85 CB ILE A 9 0.237 6.234 -1.446 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.716 7.210 -0.752 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.346 5.695 -2.753 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.122 6.617 -0.639 1.00 0.00 C ATOM 0 H ILE A 9 2.186 6.252 0.279 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.308 4.702 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 9 1.138 6.791 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.337 7.449 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.756 8.145 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.616 6.528 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.396 5.072 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.234 5.100 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.779 7.331 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.507 6.402 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.083 5.695 -0.059 1.00 0.00 H new ATOM 100 N ALA A 10 0.524 3.015 -1.728 1.00 0.00 N ATOM 101 CA ALA A 10 1.054 1.856 -2.427 1.00 0.00 C ATOM 102 C ALA A 10 0.266 1.642 -3.720 1.00 0.00 C ATOM 103 O ALA A 10 -0.954 1.803 -3.742 1.00 0.00 O ATOM 104 CB ALA A 10 1.004 0.636 -1.505 1.00 0.00 C ATOM 0 H ALA A 10 -0.494 3.053 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 10 2.097 2.016 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.401 -0.233 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.603 0.828 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.028 0.443 -1.213 1.00 0.00 H new ATOM 110 N GLN A 11 0.994 1.283 -4.767 1.00 0.00 N ATOM 111 CA GLN A 11 0.378 1.045 -6.061 1.00 0.00 C ATOM 112 C GLN A 11 0.285 -0.457 -6.337 1.00 0.00 C ATOM 113 O GLN A 11 1.301 -1.150 -6.366 1.00 0.00 O ATOM 114 CB GLN A 11 1.147 1.760 -7.174 1.00 0.00 C ATOM 115 CG GLN A 11 0.776 1.196 -8.547 1.00 0.00 C ATOM 116 CD GLN A 11 1.268 2.114 -9.668 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.336 2.699 -9.603 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.431 2.206 -10.698 1.00 0.00 N ATOM 0 H GLN A 11 2.005 1.151 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.632 1.454 -6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.928 2.827 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.219 1.650 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.212 0.204 -8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.306 1.079 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.448 1.689 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.668 2.794 -11.497 1.00 0.00 H new ATOM 127 N VAL A 12 -0.942 -0.916 -6.532 1.00 0.00 N ATOM 128 CA VAL A 12 -1.181 -2.323 -6.805 1.00 0.00 C ATOM 129 C VAL A 12 -0.529 -2.697 -8.137 1.00 0.00 C ATOM 130 O VAL A 12 -0.731 -2.019 -9.143 1.00 0.00 O ATOM 131 CB VAL A 12 -2.683 -2.615 -6.770 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.965 -4.076 -7.126 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.280 -2.257 -5.408 1.00 0.00 C ATOM 0 H VAL A 12 -1.782 -0.338 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.725 -2.945 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.164 -1.988 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.039 -4.257 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.592 -4.285 -8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.465 -4.728 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.348 -2.474 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.792 -2.845 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.126 -1.196 -5.211 1.00 0.00 H new ATOM 143 N THR A 13 0.239 -3.776 -8.101 1.00 0.00 N ATOM 144 CA THR A 13 0.922 -4.249 -9.293 1.00 0.00 C ATOM 145 C THR A 13 0.390 -5.624 -9.702 1.00 0.00 C ATOM 146 O THR A 13 0.594 -6.062 -10.833 1.00 0.00 O ATOM 147 CB THR A 13 2.426 -4.238 -9.013 1.00 0.00 C ATOM 148 OG1 THR A 13 2.641 -5.407 -8.226 1.00 0.00 O ATOM 149 CG2 THR A 13 2.841 -3.089 -8.093 1.00 0.00 C ATOM 0 H THR A 13 0.403 -4.336 -7.265 1.00 0.00 H new ATOM 0 HA THR A 13 0.731 -3.595 -10.144 1.00 0.00 H new ATOM 0 HB THR A 13 2.970 -4.164 -9.955 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.988 -5.435 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.918 -3.127 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.579 -2.138 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.323 -3.182 -7.139 1.00 0.00 H new ATOM 157 N SER A 14 -0.282 -6.268 -8.759 1.00 0.00 N ATOM 158 CA SER A 14 -0.845 -7.584 -9.006 1.00 0.00 C ATOM 159 C SER A 14 -2.194 -7.719 -8.297 1.00 0.00 C ATOM 160 O SER A 14 -2.303 -7.437 -7.105 1.00 0.00 O ATOM 161 CB SER A 14 0.109 -8.687 -8.545 1.00 0.00 C ATOM 162 OG SER A 14 1.455 -8.226 -8.456 1.00 0.00 O ATOM 0 H SER A 14 -0.449 -5.902 -7.822 1.00 0.00 H new ATOM 0 HA SER A 14 -0.994 -7.695 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.211 -9.060 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.058 -9.525 -9.241 1.00 0.00 H new ATOM 0 HG SER A 14 2.033 -8.959 -8.157 1.00 0.00 H new ATOM 168 N ALA A 15 -3.188 -8.149 -9.061 1.00 0.00 N ATOM 169 CA ALA A 15 -4.525 -8.324 -8.520 1.00 0.00 C ATOM 170 C ALA A 15 -4.495 -9.402 -7.435 1.00 0.00 C ATOM 171 O ALA A 15 -3.734 -10.363 -7.532 1.00 0.00 O ATOM 172 CB ALA A 15 -5.494 -8.665 -9.654 1.00 0.00 C ATOM 0 H ALA A 15 -3.094 -8.381 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.876 -7.401 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.497 -8.796 -9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.501 -7.855 -10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.175 -9.587 -10.140 1.00 0.00 H new ATOM 178 N TYR A 16 -5.333 -9.206 -6.428 1.00 0.00 N ATOM 179 CA TYR A 16 -5.411 -10.150 -5.326 1.00 0.00 C ATOM 180 C TYR A 16 -6.867 -10.440 -4.955 1.00 0.00 C ATOM 181 O TYR A 16 -7.750 -9.620 -5.204 1.00 0.00 O ATOM 182 CB TYR A 16 -4.722 -9.472 -4.140 1.00 0.00 C ATOM 183 CG TYR A 16 -4.931 -10.190 -2.805 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.153 -11.282 -2.479 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.898 -9.745 -1.927 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.350 -11.957 -1.223 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.096 -10.420 -0.670 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.312 -11.493 -0.380 1.00 0.00 C ATOM 189 OH TYR A 16 -5.498 -12.131 0.806 1.00 0.00 O ATOM 0 H TYR A 16 -5.964 -8.408 -6.352 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.942 -11.096 -5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.653 -9.407 -4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.092 -8.451 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.396 -11.630 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.507 -8.890 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.748 -12.813 -0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.849 -10.082 0.026 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.783 -11.881 1.428 1.00 0.00 H new ATOM 269 N GLN A 23 -9.274 -9.472 5.334 1.00 0.00 N ATOM 270 CA GLN A 23 -8.471 -9.324 4.133 1.00 0.00 C ATOM 271 C GLN A 23 -9.095 -8.283 3.202 1.00 0.00 C ATOM 272 O GLN A 23 -10.311 -8.100 3.196 1.00 0.00 O ATOM 273 CB GLN A 23 -8.300 -10.666 3.418 1.00 0.00 C ATOM 274 CG GLN A 23 -7.147 -11.468 4.025 1.00 0.00 C ATOM 275 CD GLN A 23 -7.656 -12.762 4.665 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.068 -12.797 5.813 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.604 -13.820 3.861 1.00 0.00 N ATOM 0 HA GLN A 23 -7.480 -8.976 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.224 -11.240 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.111 -10.496 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.416 -11.704 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.634 -10.865 4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.248 -13.721 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.921 -14.730 4.195 1.00 0.00 H new ATOM 286 N LEU A 24 -8.233 -7.627 2.438 1.00 0.00 N ATOM 287 CA LEU A 24 -8.685 -6.609 1.505 1.00 0.00 C ATOM 288 C LEU A 24 -8.269 -7.003 0.086 1.00 0.00 C ATOM 289 O LEU A 24 -7.111 -7.339 -0.154 1.00 0.00 O ATOM 290 CB LEU A 24 -8.180 -5.229 1.933 1.00 0.00 C ATOM 291 CG LEU A 24 -8.335 -4.109 0.902 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.797 -3.953 0.478 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.747 -2.797 1.425 1.00 0.00 C ATOM 0 H LEU A 24 -7.225 -7.781 2.446 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.773 -6.542 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.708 -4.936 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.125 -5.314 2.192 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.769 -4.383 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.880 -3.151 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.149 -4.885 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.405 -3.712 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.870 -2.018 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.265 -2.505 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.686 -2.932 1.637 1.00 0.00 H new ATOM 305 N SER A 25 -9.238 -6.948 -0.816 1.00 0.00 N ATOM 306 CA SER A 25 -8.987 -7.294 -2.205 1.00 0.00 C ATOM 307 C SER A 25 -8.207 -6.172 -2.892 1.00 0.00 C ATOM 308 O SER A 25 -8.567 -5.001 -2.779 1.00 0.00 O ATOM 309 CB SER A 25 -10.296 -7.565 -2.950 1.00 0.00 C ATOM 310 OG SER A 25 -11.072 -8.577 -2.315 1.00 0.00 O ATOM 0 H SER A 25 -10.198 -6.669 -0.612 1.00 0.00 H new ATOM 0 HA SER A 25 -8.392 -8.207 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.878 -6.645 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.075 -7.867 -3.974 1.00 0.00 H new ATOM 0 HG SER A 25 -11.900 -8.719 -2.820 1.00 0.00 H new ATOM 316 N LEU A 26 -7.153 -6.568 -3.590 1.00 0.00 N ATOM 317 CA LEU A 26 -6.319 -5.610 -4.296 1.00 0.00 C ATOM 318 C LEU A 26 -6.566 -5.737 -5.801 1.00 0.00 C ATOM 319 O LEU A 26 -6.779 -6.837 -6.308 1.00 0.00 O ATOM 320 CB LEU A 26 -4.852 -5.780 -3.897 1.00 0.00 C ATOM 321 CG LEU A 26 -4.584 -6.008 -2.407 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.171 -6.548 -2.181 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.846 -4.733 -1.602 1.00 0.00 C ATOM 0 H LEU A 26 -6.857 -7.540 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.586 -4.592 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.440 -6.622 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.305 -4.892 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.280 -6.766 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.006 -6.701 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.056 -7.496 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.443 -5.832 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.648 -4.922 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.191 -3.937 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.886 -4.430 -1.728 1.00 0.00 H new ATOM 335 N ALA A 27 -6.529 -4.595 -6.472 1.00 0.00 N ATOM 336 CA ALA A 27 -6.745 -4.565 -7.909 1.00 0.00 C ATOM 337 C ALA A 27 -5.603 -3.796 -8.576 1.00 0.00 C ATOM 338 O ALA A 27 -5.103 -2.817 -8.024 1.00 0.00 O ATOM 339 CB ALA A 27 -8.114 -3.950 -8.206 1.00 0.00 C ATOM 0 H ALA A 27 -6.353 -3.684 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.745 -5.575 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.277 -3.927 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.892 -4.550 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.150 -2.934 -7.812 1.00 0.00 H new ATOM 345 N PRO A 28 -5.215 -4.280 -9.786 1.00 0.00 N ATOM 346 CA PRO A 28 -4.141 -3.648 -10.535 1.00 0.00 C ATOM 347 C PRO A 28 -4.612 -2.339 -11.171 1.00 0.00 C ATOM 348 O PRO A 28 -5.461 -2.348 -12.062 1.00 0.00 O ATOM 349 CB PRO A 28 -3.713 -4.686 -11.559 1.00 0.00 C ATOM 350 CG PRO A 28 -4.862 -5.676 -11.655 1.00 0.00 C ATOM 351 CD PRO A 28 -5.784 -5.436 -10.471 1.00 0.00 C ATOM 0 HA PRO A 28 -3.300 -3.360 -9.904 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.515 -4.223 -12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.794 -5.183 -11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.402 -5.544 -12.592 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.486 -6.699 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.805 -5.239 -10.798 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.821 -6.306 -9.815 1.00 0.00 H new ATOM 359 N GLY A 29 -4.042 -1.245 -10.689 1.00 0.00 N ATOM 360 CA GLY A 29 -4.393 0.069 -11.200 1.00 0.00 C ATOM 361 C GLY A 29 -5.218 0.853 -10.176 1.00 0.00 C ATOM 362 O GLY A 29 -5.971 1.754 -10.541 1.00 0.00 O ATOM 0 H GLY A 29 -3.339 -1.241 -9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.486 0.623 -11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.960 -0.036 -12.125 1.00 0.00 H new ATOM 366 N GLN A 30 -5.047 0.480 -8.916 1.00 0.00 N ATOM 367 CA GLN A 30 -5.766 1.137 -7.838 1.00 0.00 C ATOM 368 C GLN A 30 -4.781 1.740 -6.834 1.00 0.00 C ATOM 369 O GLN A 30 -3.575 1.521 -6.934 1.00 0.00 O ATOM 370 CB GLN A 30 -6.726 0.166 -7.148 1.00 0.00 C ATOM 371 CG GLN A 30 -7.939 -0.127 -8.034 1.00 0.00 C ATOM 372 CD GLN A 30 -9.139 -0.567 -7.192 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.903 -1.631 -6.429 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.207 0.020 -7.232 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.421 -0.268 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.362 1.945 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.206 -0.764 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.057 0.589 -6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.199 0.763 -8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.689 -0.907 -8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.321 0.831 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.987 -0.300 -6.657 1.00 0.00 H new ATOM 383 N LEU A 31 -5.333 2.488 -5.890 1.00 0.00 N ATOM 384 CA LEU A 31 -4.519 3.125 -4.868 1.00 0.00 C ATOM 385 C LEU A 31 -5.051 2.742 -3.486 1.00 0.00 C ATOM 386 O LEU A 31 -6.261 2.693 -3.274 1.00 0.00 O ATOM 387 CB LEU A 31 -4.449 4.635 -5.104 1.00 0.00 C ATOM 388 CG LEU A 31 -3.710 5.084 -6.366 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.674 6.610 -6.467 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.309 4.472 -6.429 1.00 0.00 C ATOM 0 H LEU A 31 -6.334 2.667 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.490 2.769 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.467 5.024 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.967 5.095 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.260 4.717 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.143 6.902 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.693 6.996 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.161 7.020 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.806 4.808 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.735 4.787 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.387 3.385 -6.438 1.00 0.00 H new ATOM 402 N ILE A 32 -4.119 2.480 -2.580 1.00 0.00 N ATOM 403 CA ILE A 32 -4.479 2.103 -1.224 1.00 0.00 C ATOM 404 C ILE A 32 -3.648 2.922 -0.234 1.00 0.00 C ATOM 405 O ILE A 32 -2.527 3.322 -0.542 1.00 0.00 O ATOM 406 CB ILE A 32 -4.346 0.591 -1.035 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.553 -0.143 -1.624 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.124 0.239 0.437 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.143 -1.504 -2.192 1.00 0.00 C ATOM 0 H ILE A 32 -3.116 2.522 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.526 2.334 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.465 0.255 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.312 -0.280 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.003 0.463 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.033 -0.842 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.211 0.717 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.970 0.591 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.019 -2.005 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.402 -1.362 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.715 -2.116 -1.398 1.00 0.00 H new ATOM 421 N LEU A 33 -4.231 3.146 0.935 1.00 0.00 N ATOM 422 CA LEU A 33 -3.558 3.910 1.972 1.00 0.00 C ATOM 423 C LEU A 33 -3.103 2.962 3.083 1.00 0.00 C ATOM 424 O LEU A 33 -3.929 2.348 3.756 1.00 0.00 O ATOM 425 CB LEU A 33 -4.453 5.050 2.463 1.00 0.00 C ATOM 426 CG LEU A 33 -3.730 6.274 3.029 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.646 7.070 3.960 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.425 5.870 3.717 1.00 0.00 C ATOM 0 H LEU A 33 -5.161 2.812 1.187 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.663 4.388 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.081 5.375 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.118 4.658 3.232 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.467 6.929 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.108 7.934 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.523 7.407 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.961 6.437 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.931 6.758 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.642 5.183 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.770 5.380 2.996 1.00 0.00 H new ATOM 440 N ILE A 34 -1.790 2.874 3.240 1.00 0.00 N ATOM 441 CA ILE A 34 -1.216 2.011 4.258 1.00 0.00 C ATOM 442 C ILE A 34 -1.540 2.576 5.643 1.00 0.00 C ATOM 443 O ILE A 34 -1.183 3.712 5.953 1.00 0.00 O ATOM 444 CB ILE A 34 0.281 1.813 4.011 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.537 1.277 2.601 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.902 0.919 5.085 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.091 -0.105 2.417 1.00 0.00 C ATOM 0 H ILE A 34 -1.108 3.386 2.680 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.659 1.016 4.207 1.00 0.00 H new ATOM 0 HB ILE A 34 0.770 2.785 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.126 1.968 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.610 1.220 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.966 0.795 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.768 1.380 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.415 -0.056 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.106 -0.462 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.340 -0.799 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.167 -0.040 2.575 1.00 0.00 H new ATOM 459 N LEU A 35 -2.214 1.758 6.438 1.00 0.00 N ATOM 460 CA LEU A 35 -2.591 2.163 7.781 1.00 0.00 C ATOM 461 C LEU A 35 -1.782 1.355 8.798 1.00 0.00 C ATOM 462 O LEU A 35 -1.313 1.899 9.796 1.00 0.00 O ATOM 463 CB LEU A 35 -4.105 2.049 7.970 1.00 0.00 C ATOM 464 CG LEU A 35 -4.966 2.569 6.817 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.228 1.721 6.649 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.292 4.052 7.002 1.00 0.00 C ATOM 0 H LEU A 35 -2.509 0.817 6.178 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.351 3.214 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.352 1.001 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.380 2.590 8.875 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.392 2.478 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.822 2.112 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.948 0.689 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.815 1.757 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.905 4.396 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.837 4.191 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.366 4.627 7.034 1.00 0.00 H new ATOM 478 N LYS A 36 -1.645 0.069 8.509 1.00 0.00 N ATOM 479 CA LYS A 36 -0.901 -0.819 9.386 1.00 0.00 C ATOM 480 C LYS A 36 -0.048 -1.767 8.541 1.00 0.00 C ATOM 481 O LYS A 36 -0.362 -2.020 7.378 1.00 0.00 O ATOM 482 CB LYS A 36 -1.847 -1.538 10.350 1.00 0.00 C ATOM 483 CG LYS A 36 -1.239 -1.630 11.750 1.00 0.00 C ATOM 484 CD LYS A 36 -1.863 -0.596 12.689 1.00 0.00 C ATOM 485 CE LYS A 36 -2.740 -1.272 13.744 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.121 -1.158 15.083 1.00 0.00 N ATOM 0 H LYS A 36 -2.036 -0.379 7.680 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.217 -0.248 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.797 -1.006 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.060 -2.539 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.393 -2.631 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.162 -1.472 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.076 -0.022 13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.461 0.110 12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.728 -0.812 13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.880 -2.323 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.729 -1.622 15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.188 -1.618 15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.010 -0.154 15.330 1.00 0.00 H new ATOM 500 N LYS A 37 1.014 -2.265 9.157 1.00 0.00 N ATOM 501 CA LYS A 37 1.914 -3.179 8.475 1.00 0.00 C ATOM 502 C LYS A 37 2.185 -4.388 9.374 1.00 0.00 C ATOM 503 O LYS A 37 1.910 -4.348 10.572 1.00 0.00 O ATOM 504 CB LYS A 37 3.183 -2.449 8.028 1.00 0.00 C ATOM 505 CG LYS A 37 2.882 -1.476 6.887 1.00 0.00 C ATOM 506 CD LYS A 37 4.174 -0.961 6.251 1.00 0.00 C ATOM 507 CE LYS A 37 4.273 0.562 6.366 1.00 0.00 C ATOM 508 NZ LYS A 37 5.267 0.941 7.395 1.00 0.00 N ATOM 0 H LYS A 37 1.271 -2.053 10.121 1.00 0.00 H new ATOM 0 HA LYS A 37 1.453 -3.556 7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.610 -1.906 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.930 -3.174 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.273 -1.973 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.298 -0.636 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.033 -1.423 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.208 -1.253 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.557 0.987 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.299 0.977 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.321 1.978 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.980 0.551 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.199 0.561 7.134 1.00 0.00 H new ATOM 522 N ASN A 38 2.719 -5.433 8.761 1.00 0.00 N ATOM 523 CA ASN A 38 3.029 -6.651 9.491 1.00 0.00 C ATOM 524 C ASN A 38 4.362 -7.214 8.993 1.00 0.00 C ATOM 525 O ASN A 38 4.725 -7.025 7.833 1.00 0.00 O ATOM 526 CB ASN A 38 1.954 -7.716 9.269 1.00 0.00 C ATOM 527 CG ASN A 38 2.333 -9.030 9.954 1.00 0.00 C ATOM 528 OD1 ASN A 38 3.030 -9.059 10.955 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.838 -10.112 9.361 1.00 0.00 N ATOM 0 H ASN A 38 2.945 -5.462 7.767 1.00 0.00 H new ATOM 0 HA ASN A 38 3.078 -6.404 10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.000 -7.361 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.819 -7.885 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.035 -11.037 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.261 -10.017 8.525 1.00 0.00 H new ATOM 536 N THR A 39 5.055 -7.894 9.895 1.00 0.00 N ATOM 537 CA THR A 39 6.339 -8.485 9.561 1.00 0.00 C ATOM 538 C THR A 39 6.180 -9.504 8.430 1.00 0.00 C ATOM 539 O THR A 39 7.018 -9.576 7.533 1.00 0.00 O ATOM 540 CB THR A 39 6.930 -9.084 10.839 1.00 0.00 C ATOM 541 OG1 THR A 39 5.867 -9.860 11.383 1.00 0.00 O ATOM 542 CG2 THR A 39 7.204 -8.025 11.909 1.00 0.00 C ATOM 0 H THR A 39 4.751 -8.049 10.856 1.00 0.00 H new ATOM 0 HA THR A 39 7.034 -7.734 9.184 1.00 0.00 H new ATOM 0 HB THR A 39 7.856 -9.607 10.600 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.165 -10.286 12.214 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.622 -8.503 12.795 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.913 -7.292 11.523 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.272 -7.525 12.173 1.00 0.00 H new ATOM 550 N SER A 40 5.099 -10.265 8.511 1.00 0.00 N ATOM 551 CA SER A 40 4.819 -11.276 7.506 1.00 0.00 C ATOM 552 C SER A 40 4.788 -10.638 6.116 1.00 0.00 C ATOM 553 O SER A 40 5.386 -11.158 5.176 1.00 0.00 O ATOM 554 CB SER A 40 3.495 -11.987 7.793 1.00 0.00 C ATOM 555 OG SER A 40 3.395 -13.228 7.100 1.00 0.00 O ATOM 0 H SER A 40 4.406 -10.202 9.257 1.00 0.00 H new ATOM 0 HA SER A 40 5.615 -12.020 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.402 -12.162 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.666 -11.341 7.502 1.00 0.00 H new ATOM 0 HG SER A 40 2.537 -13.652 7.310 1.00 0.00 H new ATOM 561 N GLY A 41 4.084 -9.518 6.030 1.00 0.00 N ATOM 562 CA GLY A 41 3.967 -8.803 4.770 1.00 0.00 C ATOM 563 C GLY A 41 2.554 -8.246 4.585 1.00 0.00 C ATOM 564 O GLY A 41 2.330 -7.378 3.743 1.00 0.00 O ATOM 0 H GLY A 41 3.589 -9.089 6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.690 -7.988 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.209 -9.472 3.944 1.00 0.00 H new ATOM 568 N TRP A 42 1.637 -8.768 5.387 1.00 0.00 N ATOM 569 CA TRP A 42 0.252 -8.334 5.322 1.00 0.00 C ATOM 570 C TRP A 42 0.191 -6.877 5.787 1.00 0.00 C ATOM 571 O TRP A 42 0.647 -6.551 6.882 1.00 0.00 O ATOM 572 CB TRP A 42 -0.652 -9.260 6.139 1.00 0.00 C ATOM 573 CG TRP A 42 -0.784 -10.670 5.560 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.013 -11.738 5.805 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.783 -11.124 4.623 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.440 -12.843 5.098 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.551 -12.458 4.356 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.848 -10.431 4.021 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.341 -13.213 3.481 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.628 -11.200 3.149 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.407 -12.543 2.869 1.00 0.00 C ATOM 0 H TRP A 42 1.826 -9.487 6.085 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.122 -8.390 4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.261 -9.330 7.154 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.644 -8.813 6.210 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.836 -11.734 6.472 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.018 -13.772 5.116 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.049 -9.388 4.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.139 -14.256 3.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.460 -10.715 2.660 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.055 -13.068 2.182 1.00 0.00 H new ATOM 592 N TRP A 43 -0.377 -6.040 4.931 1.00 0.00 N ATOM 593 CA TRP A 43 -0.503 -4.626 5.240 1.00 0.00 C ATOM 594 C TRP A 43 -1.993 -4.300 5.362 1.00 0.00 C ATOM 595 O TRP A 43 -2.811 -4.824 4.608 1.00 0.00 O ATOM 596 CB TRP A 43 0.212 -3.770 4.192 1.00 0.00 C ATOM 597 CG TRP A 43 1.739 -3.828 4.277 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.491 -4.538 5.129 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.674 -3.116 3.440 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.837 -4.337 4.903 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.952 -3.445 3.843 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.448 -2.224 2.377 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.104 -2.927 3.239 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.609 -1.715 1.784 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.903 -2.036 2.178 1.00 0.00 C ATOM 0 H TRP A 43 -0.755 -6.314 4.024 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.017 -4.393 6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.099 -4.095 3.199 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.109 -2.734 4.304 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.093 -5.186 5.896 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.606 -4.764 5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.457 -1.953 2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.094 -3.200 3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.491 -1.024 0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.749 -1.600 1.668 1.00 0.00 H new ATOM 616 N GLN A 44 -2.300 -3.435 6.319 1.00 0.00 N ATOM 617 CA GLN A 44 -3.677 -3.033 6.550 1.00 0.00 C ATOM 618 C GLN A 44 -3.884 -1.578 6.124 1.00 0.00 C ATOM 619 O GLN A 44 -3.583 -0.657 6.882 1.00 0.00 O ATOM 620 CB GLN A 44 -4.069 -3.237 8.014 1.00 0.00 C ATOM 621 CG GLN A 44 -5.588 -3.172 8.190 1.00 0.00 C ATOM 622 CD GLN A 44 -5.970 -3.184 9.671 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.206 -2.793 10.539 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.191 -3.653 9.911 1.00 0.00 N ATOM 0 H GLN A 44 -1.619 -3.002 6.943 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.326 -3.664 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.700 -4.202 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.595 -2.473 8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.974 -2.268 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.053 -4.018 7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.779 -3.964 9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.540 -3.702 10.868 1.00 0.00 H new ATOM 633 N GLY A 45 -4.396 -1.417 4.913 1.00 0.00 N ATOM 634 CA GLY A 45 -4.646 -0.089 4.377 1.00 0.00 C ATOM 635 C GLY A 45 -6.100 0.053 3.923 1.00 0.00 C ATOM 636 O GLY A 45 -6.915 -0.841 4.146 1.00 0.00 O ATOM 0 H GLY A 45 -4.645 -2.183 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.423 0.661 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.978 0.100 3.536 1.00 0.00 H new ATOM 640 N GLU A 46 -6.382 1.185 3.294 1.00 0.00 N ATOM 641 CA GLU A 46 -7.724 1.456 2.806 1.00 0.00 C ATOM 642 C GLU A 46 -7.690 1.775 1.310 1.00 0.00 C ATOM 643 O GLU A 46 -6.894 2.601 0.866 1.00 0.00 O ATOM 644 CB GLU A 46 -8.374 2.594 3.595 1.00 0.00 C ATOM 645 CG GLU A 46 -9.900 2.523 3.503 1.00 0.00 C ATOM 646 CD GLU A 46 -10.542 3.798 4.053 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.155 4.883 3.570 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.407 3.658 4.946 1.00 0.00 O ATOM 0 H GLU A 46 -5.704 1.925 3.111 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.331 0.563 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.066 2.540 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.027 3.553 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.199 2.380 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.262 1.659 4.061 1.00 0.00 H new ATOM 655 N LEU A 47 -8.565 1.104 0.575 1.00 0.00 N ATOM 656 CA LEU A 47 -8.645 1.306 -0.862 1.00 0.00 C ATOM 657 C LEU A 47 -9.056 2.752 -1.147 1.00 0.00 C ATOM 658 O LEU A 47 -10.162 3.166 -0.803 1.00 0.00 O ATOM 659 CB LEU A 47 -9.571 0.267 -1.498 1.00 0.00 C ATOM 660 CG LEU A 47 -9.069 -0.374 -2.793 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.813 -1.679 -3.083 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.160 0.609 -3.962 1.00 0.00 C ATOM 0 H LEU A 47 -9.224 0.420 0.947 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.669 1.155 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.751 -0.524 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.532 0.740 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.016 -0.625 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.437 -2.114 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.654 -2.379 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.879 -1.475 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.797 0.128 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.197 0.913 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.550 1.487 -3.748 1.00 0.00 H new ATOM 674 N GLN A 48 -8.143 3.480 -1.773 1.00 0.00 N ATOM 675 CA GLN A 48 -8.397 4.871 -2.108 1.00 0.00 C ATOM 676 C GLN A 48 -9.012 4.977 -3.505 1.00 0.00 C ATOM 677 O GLN A 48 -8.795 5.961 -4.210 1.00 0.00 O ATOM 678 CB GLN A 48 -7.116 5.702 -2.009 1.00 0.00 C ATOM 679 CG GLN A 48 -6.578 5.711 -0.577 1.00 0.00 C ATOM 680 CD GLN A 48 -7.604 6.304 0.390 1.00 0.00 C ATOM 681 OE1 GLN A 48 -8.061 7.425 0.241 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.940 5.491 1.388 1.00 0.00 N ATOM 0 H GLN A 48 -7.227 3.133 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.109 5.273 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.361 5.295 -2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.315 6.724 -2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.330 4.695 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.656 6.290 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.519 4.564 1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.618 5.795 2.087 1.00 0.00 H new ATOM 800 N GLN A 55 -12.963 0.534 1.316 1.00 0.00 N ATOM 801 CA GLN A 55 -12.377 -0.781 1.515 1.00 0.00 C ATOM 802 C GLN A 55 -11.222 -0.701 2.516 1.00 0.00 C ATOM 803 O GLN A 55 -10.382 0.193 2.429 1.00 0.00 O ATOM 804 CB GLN A 55 -11.912 -1.380 0.187 1.00 0.00 C ATOM 805 CG GLN A 55 -12.895 -2.442 -0.310 1.00 0.00 C ATOM 806 CD GLN A 55 -14.324 -1.896 -0.337 1.00 0.00 C ATOM 807 OE1 GLN A 55 -15.029 -1.881 0.659 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.711 -1.450 -1.529 1.00 0.00 N ATOM 0 HA GLN A 55 -13.142 -1.441 1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.817 -0.591 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.924 -1.823 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.608 -2.769 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.848 -3.317 0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.071 -1.492 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.648 -1.066 -1.650 1.00 0.00 H new ATOM 817 N LYS A 56 -11.218 -1.649 3.442 1.00 0.00 N ATOM 818 CA LYS A 56 -10.180 -1.697 4.457 1.00 0.00 C ATOM 819 C LYS A 56 -9.985 -3.145 4.912 1.00 0.00 C ATOM 820 O LYS A 56 -10.950 -3.827 5.256 1.00 0.00 O ATOM 821 CB LYS A 56 -10.502 -0.732 5.600 1.00 0.00 C ATOM 822 CG LYS A 56 -9.241 -0.374 6.388 1.00 0.00 C ATOM 823 CD LYS A 56 -9.057 -1.312 7.583 1.00 0.00 C ATOM 824 CE LYS A 56 -9.717 -0.737 8.838 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.833 -1.603 9.280 1.00 0.00 N ATOM 0 H LYS A 56 -11.917 -2.389 3.510 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.229 -1.360 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.954 0.175 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.235 -1.185 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.370 -0.435 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.306 0.657 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.489 -2.287 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.994 -1.469 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.980 -0.649 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.087 0.268 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.270 -1.198 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.544 -1.666 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.471 -2.554 9.495 1.00 0.00 H new ATOM 839 N GLY A 57 -8.731 -3.572 4.900 1.00 0.00 N ATOM 840 CA GLY A 57 -8.397 -4.926 5.307 1.00 0.00 C ATOM 841 C GLY A 57 -6.895 -5.185 5.174 1.00 0.00 C ATOM 842 O GLY A 57 -6.137 -4.287 4.809 1.00 0.00 O ATOM 0 H GLY A 57 -7.934 -3.004 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.707 -5.086 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.948 -5.640 4.695 1.00 0.00 H new ATOM 846 N TRP A 58 -6.510 -6.416 5.477 1.00 0.00 N ATOM 847 CA TRP A 58 -5.112 -6.804 5.395 1.00 0.00 C ATOM 848 C TRP A 58 -4.873 -7.425 4.017 1.00 0.00 C ATOM 849 O TRP A 58 -5.742 -8.112 3.483 1.00 0.00 O ATOM 850 CB TRP A 58 -4.734 -7.738 6.546 1.00 0.00 C ATOM 851 CG TRP A 58 -4.745 -7.068 7.921 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.801 -6.812 8.705 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.599 -6.577 8.648 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.421 -6.194 9.879 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.039 -6.047 9.843 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.235 -6.582 8.306 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.181 -5.481 10.793 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.390 -6.012 9.266 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.817 -5.474 10.474 1.00 0.00 C ATOM 0 H TRP A 58 -7.142 -7.158 5.780 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.464 -5.934 5.501 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.425 -8.581 6.558 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.740 -8.144 6.359 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.821 -7.058 8.450 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.040 -5.899 10.634 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.868 -6.993 7.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.551 -5.072 11.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.332 -5.989 9.053 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.101 -5.052 11.164 1.00 0.00 H new ATOM 870 N PHE A 59 -3.691 -7.160 3.481 1.00 0.00 N ATOM 871 CA PHE A 59 -3.327 -7.684 2.176 1.00 0.00 C ATOM 872 C PHE A 59 -1.807 -7.792 2.032 1.00 0.00 C ATOM 873 O PHE A 59 -1.063 -7.143 2.765 1.00 0.00 O ATOM 874 CB PHE A 59 -3.857 -6.697 1.134 1.00 0.00 C ATOM 875 CG PHE A 59 -3.145 -5.343 1.140 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.857 -5.250 0.713 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.799 -4.233 1.574 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.196 -3.993 0.719 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.138 -2.976 1.581 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.850 -2.883 1.153 1.00 0.00 C ATOM 0 H PHE A 59 -2.973 -6.589 3.927 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.749 -8.680 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.760 -7.143 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.921 -6.537 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.337 -6.132 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.822 -4.307 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.174 -3.919 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.658 -2.094 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.347 -1.927 1.158 1.00 0.00 H new ATOM 890 N PRO A 60 -1.381 -8.639 1.058 1.00 0.00 N ATOM 891 CA PRO A 60 0.037 -8.841 0.809 1.00 0.00 C ATOM 892 C PRO A 60 0.641 -7.640 0.078 1.00 0.00 C ATOM 893 O PRO A 60 0.090 -7.174 -0.919 1.00 0.00 O ATOM 894 CB PRO A 60 0.116 -10.128 0.004 1.00 0.00 C ATOM 895 CG PRO A 60 -1.277 -10.350 -0.564 1.00 0.00 C ATOM 896 CD PRO A 60 -2.233 -9.425 0.170 1.00 0.00 C ATOM 0 HA PRO A 60 0.618 -8.926 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.854 -10.045 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.419 -10.965 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.291 -10.142 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.579 -11.390 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.777 -8.785 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.977 -9.990 0.732 1.00 0.00 H new ATOM 904 N ALA A 61 1.765 -7.173 0.601 1.00 0.00 N ATOM 905 CA ALA A 61 2.450 -6.036 0.011 1.00 0.00 C ATOM 906 C ALA A 61 3.108 -6.468 -1.301 1.00 0.00 C ATOM 907 O ALA A 61 3.467 -5.628 -2.125 1.00 0.00 O ATOM 908 CB ALA A 61 3.460 -5.472 1.012 1.00 0.00 C ATOM 0 H ALA A 61 2.219 -7.562 1.428 1.00 0.00 H new ATOM 0 HA ALA A 61 1.743 -5.240 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.974 -4.619 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.939 -5.153 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.188 -6.242 1.267 1.00 0.00 H new ATOM 914 N SER A 62 3.248 -7.776 -1.453 1.00 0.00 N ATOM 915 CA SER A 62 3.857 -8.329 -2.651 1.00 0.00 C ATOM 916 C SER A 62 2.958 -8.072 -3.862 1.00 0.00 C ATOM 917 O SER A 62 3.374 -8.273 -5.002 1.00 0.00 O ATOM 918 CB SER A 62 4.119 -9.829 -2.494 1.00 0.00 C ATOM 919 OG SER A 62 4.945 -10.339 -3.537 1.00 0.00 O ATOM 0 H SER A 62 2.950 -8.469 -0.767 1.00 0.00 H new ATOM 0 HA SER A 62 4.816 -7.834 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.595 -10.015 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.169 -10.364 -2.489 1.00 0.00 H new ATOM 0 HG SER A 62 4.732 -9.881 -4.377 1.00 0.00 H new ATOM 925 N HIS A 63 1.743 -7.631 -3.574 1.00 0.00 N ATOM 926 CA HIS A 63 0.782 -7.344 -4.625 1.00 0.00 C ATOM 927 C HIS A 63 0.849 -5.860 -4.990 1.00 0.00 C ATOM 928 O HIS A 63 0.473 -5.471 -6.095 1.00 0.00 O ATOM 929 CB HIS A 63 -0.623 -7.790 -4.214 1.00 0.00 C ATOM 930 CG HIS A 63 -0.924 -9.236 -4.526 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.713 -9.623 -5.596 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.534 -10.383 -3.900 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.788 -10.946 -5.603 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.057 -11.415 -4.551 1.00 0.00 N ATOM 0 H HIS A 63 1.402 -7.465 -2.627 1.00 0.00 H new ATOM 0 HA HIS A 63 1.034 -7.915 -5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.746 -7.627 -3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.355 -7.160 -4.719 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.160 -8.996 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.094 -10.442 -3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.332 -11.547 -6.316 1.00 0.00 H new ATOM 942 N VAL A 64 1.330 -5.070 -4.041 1.00 0.00 N ATOM 943 CA VAL A 64 1.452 -3.638 -4.249 1.00 0.00 C ATOM 944 C VAL A 64 2.930 -3.245 -4.213 1.00 0.00 C ATOM 945 O VAL A 64 3.790 -4.076 -3.925 1.00 0.00 O ATOM 946 CB VAL A 64 0.608 -2.886 -3.219 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.754 -3.558 -3.029 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.350 -2.764 -1.886 1.00 0.00 C ATOM 0 H VAL A 64 1.640 -5.396 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 64 1.066 -3.361 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 64 0.434 -1.879 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.334 -3.003 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.290 -3.569 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.610 -4.581 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.728 -2.225 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.569 -3.759 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.283 -2.221 -2.037 1.00 0.00 H new ATOM 958 N LYS A 65 3.180 -1.978 -4.509 1.00 0.00 N ATOM 959 CA LYS A 65 4.540 -1.465 -4.513 1.00 0.00 C ATOM 960 C LYS A 65 4.560 -0.081 -3.862 1.00 0.00 C ATOM 961 O LYS A 65 3.776 0.793 -4.228 1.00 0.00 O ATOM 962 CB LYS A 65 5.116 -1.486 -5.931 1.00 0.00 C ATOM 963 CG LYS A 65 4.437 -0.436 -6.814 1.00 0.00 C ATOM 964 CD LYS A 65 5.073 -0.396 -8.205 1.00 0.00 C ATOM 965 CE LYS A 65 5.891 0.882 -8.397 1.00 0.00 C ATOM 966 NZ LYS A 65 5.887 1.291 -9.819 1.00 0.00 N ATOM 0 H LYS A 65 2.464 -1.292 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 65 5.191 -2.107 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.189 -1.297 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.981 -2.476 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.374 -0.662 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.516 0.545 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.715 -1.267 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.295 -0.452 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.478 1.681 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.915 0.719 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.447 2.160 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.302 0.534 -10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.909 1.467 -10.127 1.00 0.00 H new ATOM 980 N LEU A 66 5.465 0.075 -2.907 1.00 0.00 N ATOM 981 CA LEU A 66 5.598 1.338 -2.201 1.00 0.00 C ATOM 982 C LEU A 66 6.000 2.432 -3.192 1.00 0.00 C ATOM 983 O LEU A 66 6.910 2.242 -3.997 1.00 0.00 O ATOM 984 CB LEU A 66 6.562 1.194 -1.021 1.00 0.00 C ATOM 985 CG LEU A 66 5.924 0.853 0.328 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.961 0.900 1.451 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.727 1.763 0.614 1.00 0.00 C ATOM 0 H LEU A 66 6.113 -0.652 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 66 4.642 1.634 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.289 0.418 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.115 2.127 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 66 5.547 -0.169 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.482 0.654 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.752 0.179 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.389 1.901 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.292 1.500 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.057 2.802 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.979 1.636 -0.168 1.00 0.00 H new ATOM 999 N LEU A 67 5.301 3.554 -3.102 1.00 0.00 N ATOM 1000 CA LEU A 67 5.573 4.679 -3.981 1.00 0.00 C ATOM 1001 C LEU A 67 6.621 5.585 -3.333 1.00 0.00 C ATOM 1002 O LEU A 67 6.808 6.725 -3.756 1.00 0.00 O ATOM 1003 CB LEU A 67 4.274 5.402 -4.343 1.00 0.00 C ATOM 1004 CG LEU A 67 3.333 4.656 -5.291 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.345 5.619 -5.953 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.122 3.847 -6.323 1.00 0.00 C ATOM 0 H LEU A 67 4.546 3.708 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 67 5.992 4.332 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.733 5.618 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.529 6.360 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 67 2.749 3.947 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.688 5.063 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.749 6.113 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.894 6.368 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.429 3.327 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.749 4.519 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.751 3.119 -5.811 1.00 0.00 H new