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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= -0.471 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 16 TYR OH : rot 98:sc= 1.26 USER MOD Single : A 23 GLN :FLIP amide:sc= 0.938 F(o=-0.73,f=0.94) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -4.78! C(o=-7.7!,f=-4.8!) 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 38 ASN : amide:sc= -2.22! C(o=-2.2!,f=-6.6!) USER MOD Single : A 39 THR OG1 : rot 61:sc= 0.706 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -6.65! C(o=-6.6!,f=-8.6!) USER MOD Single : A 48 GLN : amide:sc= 1.01 K(o=1,f=-0.57) USER MOD Single : A 55 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.5!) 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= -3.47! C(o=-3.5!,f=-5.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.496 6.648 3.561 1.00 0.00 N ATOM 67 CA GLU A 8 2.252 5.824 2.632 1.00 0.00 C ATOM 68 C GLU A 8 1.312 5.165 1.621 1.00 0.00 C ATOM 69 O GLU A 8 0.557 4.258 1.969 1.00 0.00 O ATOM 70 CB GLU A 8 3.078 4.774 3.378 1.00 0.00 C ATOM 71 CG GLU A 8 4.561 5.152 3.391 1.00 0.00 C ATOM 72 CD GLU A 8 5.444 3.905 3.474 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.376 3.230 4.523 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.167 3.655 2.485 1.00 0.00 O ATOM 0 HA GLU A 8 2.946 6.466 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.714 4.679 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.951 3.801 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.804 5.715 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.766 5.804 4.240 1.00 0.00 H new ATOM 81 N ILE A 9 1.388 5.647 0.389 1.00 0.00 N ATOM 82 CA ILE A 9 0.553 5.116 -0.675 1.00 0.00 C ATOM 83 C ILE A 9 1.272 3.942 -1.343 1.00 0.00 C ATOM 84 O ILE A 9 2.488 3.976 -1.525 1.00 0.00 O ATOM 85 CB ILE A 9 0.154 6.227 -1.648 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.963 7.093 -1.063 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.223 5.650 -3.014 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.270 6.304 -0.957 1.00 0.00 C ATOM 0 H ILE A 9 2.015 6.399 0.104 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.382 4.729 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 9 1.017 6.875 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.670 7.453 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.114 7.971 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.503 6.461 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.629 5.111 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.064 4.966 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.048 6.943 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.573 5.966 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.122 5.440 -0.309 1.00 0.00 H new ATOM 100 N ALA A 10 0.489 2.930 -1.690 1.00 0.00 N ATOM 101 CA ALA A 10 1.035 1.748 -2.334 1.00 0.00 C ATOM 102 C ALA A 10 0.248 1.460 -3.614 1.00 0.00 C ATOM 103 O ALA A 10 -0.981 1.416 -3.594 1.00 0.00 O ATOM 104 CB ALA A 10 1.006 0.573 -1.354 1.00 0.00 C ATOM 0 H ALA A 10 -0.519 2.905 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 10 2.075 1.911 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.416 -0.314 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.604 0.817 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.022 0.378 -1.050 1.00 0.00 H new ATOM 110 N GLN A 11 0.988 1.271 -4.696 1.00 0.00 N ATOM 111 CA GLN A 11 0.374 0.988 -5.983 1.00 0.00 C ATOM 112 C GLN A 11 0.310 -0.522 -6.219 1.00 0.00 C ATOM 113 O GLN A 11 1.338 -1.197 -6.225 1.00 0.00 O ATOM 114 CB GLN A 11 1.127 1.689 -7.115 1.00 0.00 C ATOM 115 CG GLN A 11 0.625 1.219 -8.481 1.00 0.00 C ATOM 116 CD GLN A 11 0.936 2.252 -9.566 1.00 0.00 C ATOM 117 OE1 GLN A 11 1.993 2.861 -9.594 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.040 2.414 -10.455 1.00 0.00 N ATOM 0 H GLN A 11 2.007 1.308 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.644 1.378 -5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.999 2.768 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.194 1.487 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.091 0.267 -8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.450 1.045 -8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.900 1.872 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.071 3.081 -11.219 1.00 0.00 H new ATOM 127 N VAL A 12 -0.908 -1.007 -6.409 1.00 0.00 N ATOM 128 CA VAL A 12 -1.120 -2.425 -6.646 1.00 0.00 C ATOM 129 C VAL A 12 -0.347 -2.850 -7.896 1.00 0.00 C ATOM 130 O VAL A 12 -0.394 -2.171 -8.920 1.00 0.00 O ATOM 131 CB VAL A 12 -2.618 -2.722 -6.740 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.865 -4.193 -7.082 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.336 -2.332 -5.447 1.00 0.00 C ATOM 0 H VAL A 12 -1.758 -0.444 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.737 -3.013 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.030 -2.117 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.938 -4.377 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.402 -4.426 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.432 -4.825 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.399 -2.553 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.919 -2.898 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.202 -1.266 -5.264 1.00 0.00 H new ATOM 143 N THR A 13 0.347 -3.972 -7.771 1.00 0.00 N ATOM 144 CA THR A 13 1.129 -4.496 -8.878 1.00 0.00 C ATOM 145 C THR A 13 0.561 -5.837 -9.345 1.00 0.00 C ATOM 146 O THR A 13 0.948 -6.347 -10.395 1.00 0.00 O ATOM 147 CB THR A 13 2.589 -4.578 -8.428 1.00 0.00 C ATOM 148 OG1 THR A 13 2.575 -5.539 -7.376 1.00 0.00 O ATOM 149 CG2 THR A 13 3.067 -3.292 -7.751 1.00 0.00 C ATOM 0 H THR A 13 0.384 -4.533 -6.920 1.00 0.00 H new ATOM 0 HA THR A 13 1.077 -3.838 -9.745 1.00 0.00 H new ATOM 0 HB THR A 13 3.222 -4.791 -9.289 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.483 -5.655 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.109 -3.404 -7.451 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.977 -2.459 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.455 -3.095 -6.870 1.00 0.00 H new ATOM 157 N SER A 14 -0.348 -6.370 -8.542 1.00 0.00 N ATOM 158 CA SER A 14 -0.974 -7.642 -8.860 1.00 0.00 C ATOM 159 C SER A 14 -2.311 -7.766 -8.127 1.00 0.00 C ATOM 160 O SER A 14 -2.411 -7.425 -6.949 1.00 0.00 O ATOM 161 CB SER A 14 -0.059 -8.813 -8.495 1.00 0.00 C ATOM 162 OG SER A 14 1.312 -8.516 -8.746 1.00 0.00 O ATOM 0 H SER A 14 -0.666 -5.944 -7.672 1.00 0.00 H new ATOM 0 HA SER A 14 -1.152 -7.676 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.190 -9.061 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.350 -9.693 -9.068 1.00 0.00 H new ATOM 0 HG SER A 14 1.864 -9.287 -8.499 1.00 0.00 H new ATOM 168 N ALA A 15 -3.305 -8.254 -8.854 1.00 0.00 N ATOM 169 CA ALA A 15 -4.632 -8.426 -8.287 1.00 0.00 C ATOM 170 C ALA A 15 -4.575 -9.477 -7.177 1.00 0.00 C ATOM 171 O ALA A 15 -3.771 -10.406 -7.237 1.00 0.00 O ATOM 172 CB ALA A 15 -5.616 -8.803 -9.397 1.00 0.00 C ATOM 0 H ALA A 15 -3.218 -8.536 -9.830 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.983 -7.495 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.612 -8.932 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.641 -8.011 -10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.297 -9.735 -9.865 1.00 0.00 H new ATOM 178 N TYR A 16 -5.440 -9.296 -6.189 1.00 0.00 N ATOM 179 CA TYR A 16 -5.498 -10.217 -5.067 1.00 0.00 C ATOM 180 C TYR A 16 -6.946 -10.508 -4.671 1.00 0.00 C ATOM 181 O TYR A 16 -7.843 -9.717 -4.958 1.00 0.00 O ATOM 182 CB TYR A 16 -4.796 -9.510 -3.905 1.00 0.00 C ATOM 183 CG TYR A 16 -4.974 -10.207 -2.554 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.451 -11.468 -2.354 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.659 -9.575 -1.536 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.618 -12.124 -1.083 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.826 -10.230 -0.265 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.298 -11.473 -0.102 1.00 0.00 C ATOM 189 OH TYR A 16 -5.456 -12.092 1.099 1.00 0.00 O ATOM 0 H TYR A 16 -6.106 -8.525 -6.143 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.028 -11.166 -5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.731 -9.437 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.176 -8.491 -3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.916 -11.963 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.070 -8.589 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.212 -13.110 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.358 -9.746 0.540 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.779 -11.765 1.727 1.00 0.00 H new ATOM 269 N GLN A 23 -9.106 -9.272 5.681 1.00 0.00 N ATOM 270 CA GLN A 23 -8.300 -9.108 4.483 1.00 0.00 C ATOM 271 C GLN A 23 -8.953 -8.098 3.537 1.00 0.00 C ATOM 272 O GLN A 23 -10.164 -7.886 3.590 1.00 0.00 O ATOM 273 CB GLN A 23 -8.079 -10.451 3.783 1.00 0.00 C ATOM 274 CG GLN A 23 -6.914 -11.214 4.417 1.00 0.00 C ATOM 275 CD GLN A 23 -7.399 -12.103 5.563 1.00 0.00 C ATOM 276 OE1 GLN A 23 -6.758 -13.264 5.657 1.00 0.00 O flip ATOM 277 NE2 GLN A 23 -8.297 -11.757 6.314 1.00 0.00 N flip ATOM 0 HA GLN A 23 -7.323 -8.723 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.987 -11.051 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.877 -10.285 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.421 -11.826 3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.172 -10.508 4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.748 -10.851 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.596 -12.374 7.069 1.00 0.00 H new ATOM 286 N LEU A 24 -8.123 -7.502 2.695 1.00 0.00 N ATOM 287 CA LEU A 24 -8.605 -6.519 1.739 1.00 0.00 C ATOM 288 C LEU A 24 -8.216 -6.956 0.325 1.00 0.00 C ATOM 289 O LEU A 24 -7.063 -7.301 0.073 1.00 0.00 O ATOM 290 CB LEU A 24 -8.105 -5.121 2.109 1.00 0.00 C ATOM 291 CG LEU A 24 -8.299 -4.037 1.048 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.770 -3.922 0.643 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.729 -2.698 1.521 1.00 0.00 C ATOM 0 H LEU A 24 -7.120 -7.680 2.654 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.693 -6.461 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.613 -4.805 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.042 -5.187 2.343 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.742 -4.328 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.880 -3.144 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.111 -4.874 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.369 -3.666 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.880 -1.945 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.238 -2.388 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.663 -2.806 1.719 1.00 0.00 H new ATOM 305 N SER A 25 -9.202 -6.928 -0.561 1.00 0.00 N ATOM 306 CA SER A 25 -8.977 -7.317 -1.943 1.00 0.00 C ATOM 307 C SER A 25 -8.237 -6.203 -2.686 1.00 0.00 C ATOM 308 O SER A 25 -8.646 -5.044 -2.641 1.00 0.00 O ATOM 309 CB SER A 25 -10.298 -7.638 -2.646 1.00 0.00 C ATOM 310 OG SER A 25 -11.050 -6.462 -2.932 1.00 0.00 O ATOM 0 H SER A 25 -10.158 -6.642 -0.348 1.00 0.00 H new ATOM 0 HA SER A 25 -8.364 -8.218 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.094 -8.173 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.890 -8.303 -2.018 1.00 0.00 H new ATOM 0 HG SER A 25 -11.885 -6.709 -3.382 1.00 0.00 H new ATOM 316 N LEU A 26 -7.161 -6.594 -3.353 1.00 0.00 N ATOM 317 CA LEU A 26 -6.361 -5.643 -4.105 1.00 0.00 C ATOM 318 C LEU A 26 -6.702 -5.759 -5.592 1.00 0.00 C ATOM 319 O LEU A 26 -7.250 -6.769 -6.030 1.00 0.00 O ATOM 320 CB LEU A 26 -4.874 -5.834 -3.799 1.00 0.00 C ATOM 321 CG LEU A 26 -4.513 -6.042 -2.327 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.074 -6.539 -2.180 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.765 -4.769 -1.516 1.00 0.00 C ATOM 0 H LEU A 26 -6.825 -7.556 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.597 -4.623 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.514 -6.693 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.333 -4.961 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.164 -6.817 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.843 -6.679 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.961 -7.488 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.390 -5.805 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.500 -4.944 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.156 -3.957 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.819 -4.498 -1.582 1.00 0.00 H new ATOM 335 N ALA A 27 -6.365 -4.710 -6.328 1.00 0.00 N ATOM 336 CA ALA A 27 -6.629 -4.681 -7.756 1.00 0.00 C ATOM 337 C ALA A 27 -5.514 -3.906 -8.461 1.00 0.00 C ATOM 338 O ALA A 27 -5.010 -2.917 -7.931 1.00 0.00 O ATOM 339 CB ALA A 27 -8.010 -4.073 -8.008 1.00 0.00 C ATOM 0 H ALA A 27 -5.911 -3.873 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.638 -5.691 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.208 -4.051 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.769 -4.676 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.038 -3.057 -7.613 1.00 0.00 H new ATOM 345 N PRO A 28 -5.152 -4.397 -9.677 1.00 0.00 N ATOM 346 CA PRO A 28 -4.106 -3.762 -10.460 1.00 0.00 C ATOM 347 C PRO A 28 -4.609 -2.464 -11.095 1.00 0.00 C ATOM 348 O PRO A 28 -5.466 -2.492 -11.977 1.00 0.00 O ATOM 349 CB PRO A 28 -3.694 -4.805 -11.485 1.00 0.00 C ATOM 350 CG PRO A 28 -4.835 -5.808 -11.541 1.00 0.00 C ATOM 351 CD PRO A 28 -5.727 -5.567 -10.335 1.00 0.00 C ATOM 0 HA PRO A 28 -3.251 -3.459 -9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.527 -4.349 -12.461 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.762 -5.290 -11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.402 -5.690 -12.465 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.448 -6.827 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.759 -5.385 -10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.736 -6.431 -9.670 1.00 0.00 H new ATOM 359 N GLY A 29 -4.054 -1.358 -10.623 1.00 0.00 N ATOM 360 CA GLY A 29 -4.435 -0.052 -11.134 1.00 0.00 C ATOM 361 C GLY A 29 -5.280 0.712 -10.112 1.00 0.00 C ATOM 362 O GLY A 29 -6.093 1.558 -10.481 1.00 0.00 O ATOM 0 H GLY A 29 -3.343 -1.339 -9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.541 0.523 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.997 -0.170 -12.060 1.00 0.00 H new ATOM 366 N GLN A 30 -5.058 0.386 -8.847 1.00 0.00 N ATOM 367 CA GLN A 30 -5.788 1.031 -7.769 1.00 0.00 C ATOM 368 C GLN A 30 -4.815 1.589 -6.728 1.00 0.00 C ATOM 369 O GLN A 30 -3.649 1.198 -6.690 1.00 0.00 O ATOM 370 CB GLN A 30 -6.784 0.063 -7.126 1.00 0.00 C ATOM 371 CG GLN A 30 -7.985 -0.176 -8.042 1.00 0.00 C ATOM 372 CD GLN A 30 -9.186 -0.694 -7.247 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.928 -1.778 -6.522 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.275 -0.145 -7.289 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.383 -0.316 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.357 1.861 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.290 -0.885 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.124 0.466 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.252 0.752 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.719 -0.896 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.406 0.685 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.055 -0.516 -6.746 1.00 0.00 H new ATOM 383 N LEU A 31 -5.330 2.494 -5.909 1.00 0.00 N ATOM 384 CA LEU A 31 -4.521 3.109 -4.870 1.00 0.00 C ATOM 385 C LEU A 31 -5.047 2.681 -3.499 1.00 0.00 C ATOM 386 O LEU A 31 -6.247 2.469 -3.329 1.00 0.00 O ATOM 387 CB LEU A 31 -4.467 4.626 -5.062 1.00 0.00 C ATOM 388 CG LEU A 31 -3.589 5.127 -6.210 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.652 6.651 -6.325 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.152 4.622 -6.062 1.00 0.00 C ATOM 0 H LEU A 31 -6.297 2.816 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.489 2.765 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.482 4.988 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.111 5.077 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.980 4.718 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.019 6.980 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.681 6.960 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.302 7.101 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.549 4.993 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.735 4.981 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.147 3.532 -6.068 1.00 0.00 H new ATOM 402 N ILE A 32 -4.124 2.566 -2.556 1.00 0.00 N ATOM 403 CA ILE A 32 -4.479 2.167 -1.205 1.00 0.00 C ATOM 404 C ILE A 32 -3.659 2.983 -0.204 1.00 0.00 C ATOM 405 O ILE A 32 -2.556 3.427 -0.516 1.00 0.00 O ATOM 406 CB ILE A 32 -4.327 0.654 -1.036 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.568 -0.082 -1.545 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.003 0.294 0.415 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.209 -1.484 -2.041 1.00 0.00 C ATOM 0 H ILE A 32 -3.130 2.742 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.529 2.383 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.485 0.326 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.306 -0.153 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.027 0.487 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.900 -0.787 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.069 0.774 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.808 0.639 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.109 -1.985 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.489 -1.408 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.773 -2.058 -1.224 1.00 0.00 H new ATOM 421 N LEU A 33 -4.230 3.155 0.979 1.00 0.00 N ATOM 422 CA LEU A 33 -3.566 3.910 2.028 1.00 0.00 C ATOM 423 C LEU A 33 -3.108 2.951 3.129 1.00 0.00 C ATOM 424 O LEU A 33 -3.932 2.342 3.809 1.00 0.00 O ATOM 425 CB LEU A 33 -4.469 5.037 2.532 1.00 0.00 C ATOM 426 CG LEU A 33 -3.757 6.252 3.130 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.681 7.018 4.078 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.450 5.840 3.811 1.00 0.00 C ATOM 0 H LEU A 33 -5.145 2.784 1.234 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.673 4.399 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.090 5.377 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.141 4.627 3.286 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.497 6.930 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.150 7.877 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.559 7.362 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.994 6.362 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.963 6.722 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.664 5.131 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.790 5.373 3.080 1.00 0.00 H new ATOM 440 N ILE A 34 -1.794 2.846 3.269 1.00 0.00 N ATOM 441 CA ILE A 34 -1.217 1.971 4.275 1.00 0.00 C ATOM 442 C ILE A 34 -1.576 2.495 5.667 1.00 0.00 C ATOM 443 O ILE A 34 -1.323 3.657 5.981 1.00 0.00 O ATOM 444 CB ILE A 34 0.288 1.813 4.047 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.575 1.232 2.661 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.927 0.981 5.161 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.151 -0.100 2.464 1.00 0.00 C ATOM 0 H ILE A 34 -1.113 3.352 2.703 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.636 0.968 4.194 1.00 0.00 H new ATOM 0 HB ILE A 34 0.744 2.802 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.260 1.939 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.648 1.087 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.997 0.884 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.769 1.474 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.471 -0.009 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.070 -0.491 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.185 -0.812 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.226 0.053 2.563 1.00 0.00 H new ATOM 459 N LEU A 35 -2.161 1.612 6.463 1.00 0.00 N ATOM 460 CA LEU A 35 -2.558 1.971 7.814 1.00 0.00 C ATOM 461 C LEU A 35 -1.785 1.109 8.814 1.00 0.00 C ATOM 462 O LEU A 35 -1.189 1.628 9.757 1.00 0.00 O ATOM 463 CB LEU A 35 -4.077 1.879 7.969 1.00 0.00 C ATOM 464 CG LEU A 35 -4.905 2.508 6.846 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.188 1.712 6.599 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.192 3.982 7.137 1.00 0.00 C ATOM 0 H LEU A 35 -2.370 0.649 6.198 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.302 3.010 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.351 0.827 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.356 2.355 8.909 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.320 2.469 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.758 2.180 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.934 0.691 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.788 1.697 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.782 4.405 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.748 4.067 8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.251 4.526 7.224 1.00 0.00 H new ATOM 478 N LYS A 36 -1.819 -0.194 8.574 1.00 0.00 N ATOM 479 CA LYS A 36 -1.129 -1.133 9.442 1.00 0.00 C ATOM 480 C LYS A 36 -0.187 -1.999 8.603 1.00 0.00 C ATOM 481 O LYS A 36 -0.492 -2.323 7.456 1.00 0.00 O ATOM 482 CB LYS A 36 -2.134 -1.939 10.266 1.00 0.00 C ATOM 483 CG LYS A 36 -1.839 -1.818 11.763 1.00 0.00 C ATOM 484 CD LYS A 36 -0.478 -2.427 12.104 1.00 0.00 C ATOM 485 CE LYS A 36 -0.570 -3.316 13.346 1.00 0.00 C ATOM 486 NZ LYS A 36 0.522 -2.999 14.293 1.00 0.00 N ATOM 0 H LYS A 36 -2.314 -0.621 7.791 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.513 -0.600 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.144 -1.585 10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.097 -2.987 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.856 -0.769 12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.620 -2.321 12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.116 -3.013 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.248 -1.632 12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.535 -3.172 13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.513 -4.365 13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.444 -3.611 15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.440 -3.159 13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.450 -2.003 14.585 1.00 0.00 H new ATOM 500 N LYS A 37 0.939 -2.349 9.207 1.00 0.00 N ATOM 501 CA LYS A 37 1.927 -3.171 8.530 1.00 0.00 C ATOM 502 C LYS A 37 2.364 -4.306 9.459 1.00 0.00 C ATOM 503 O LYS A 37 2.326 -4.162 10.680 1.00 0.00 O ATOM 504 CB LYS A 37 3.086 -2.309 8.025 1.00 0.00 C ATOM 505 CG LYS A 37 2.596 -1.266 7.019 1.00 0.00 C ATOM 506 CD LYS A 37 3.734 -0.812 6.102 1.00 0.00 C ATOM 507 CE LYS A 37 3.964 0.696 6.221 1.00 0.00 C ATOM 508 NZ LYS A 37 4.869 0.995 7.353 1.00 0.00 N ATOM 0 H LYS A 37 1.189 -2.078 10.158 1.00 0.00 H new ATOM 0 HA LYS A 37 1.494 -3.634 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.566 -1.810 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.839 -2.944 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.787 -1.685 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.188 -0.407 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.649 -1.345 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.498 -1.067 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.392 1.079 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.011 1.205 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.014 2.023 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.446 0.647 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.784 0.525 7.199 1.00 0.00 H new ATOM 522 N ASN A 38 2.768 -5.408 8.845 1.00 0.00 N ATOM 523 CA ASN A 38 3.211 -6.567 9.601 1.00 0.00 C ATOM 524 C ASN A 38 4.617 -6.962 9.145 1.00 0.00 C ATOM 525 O ASN A 38 5.084 -6.510 8.100 1.00 0.00 O ATOM 526 CB ASN A 38 2.285 -7.763 9.370 1.00 0.00 C ATOM 527 CG ASN A 38 2.779 -8.994 10.133 1.00 0.00 C ATOM 528 OD1 ASN A 38 3.385 -8.901 11.187 1.00 0.00 O ATOM 529 ND2 ASN A 38 2.487 -10.149 9.542 1.00 0.00 N ATOM 0 H ASN A 38 2.798 -5.523 7.832 1.00 0.00 H new ATOM 0 HA ASN A 38 3.201 -6.303 10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.274 -7.512 9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.234 -7.987 8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.774 -11.029 9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.976 -10.155 8.659 1.00 0.00 H new ATOM 536 N THR A 39 5.252 -7.801 9.949 1.00 0.00 N ATOM 537 CA THR A 39 6.595 -8.262 9.641 1.00 0.00 C ATOM 538 C THR A 39 6.541 -9.512 8.761 1.00 0.00 C ATOM 539 O THR A 39 7.172 -10.521 9.070 1.00 0.00 O ATOM 540 CB THR A 39 7.335 -8.481 10.962 1.00 0.00 C ATOM 541 OG1 THR A 39 6.755 -9.670 11.492 1.00 0.00 O ATOM 542 CG2 THR A 39 7.004 -7.409 12.003 1.00 0.00 C ATOM 0 H THR A 39 4.861 -8.174 10.814 1.00 0.00 H new ATOM 0 HA THR A 39 7.145 -7.519 9.063 1.00 0.00 H new ATOM 0 HB THR A 39 8.409 -8.490 10.779 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.903 -10.412 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.555 -7.611 12.921 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.287 -6.429 11.619 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.934 -7.422 12.211 1.00 0.00 H new ATOM 550 N SER A 40 5.780 -9.404 7.681 1.00 0.00 N ATOM 551 CA SER A 40 5.635 -10.514 6.754 1.00 0.00 C ATOM 552 C SER A 40 5.300 -9.988 5.357 1.00 0.00 C ATOM 553 O SER A 40 5.829 -10.481 4.361 1.00 0.00 O ATOM 554 CB SER A 40 4.555 -11.489 7.227 1.00 0.00 C ATOM 555 OG SER A 40 5.113 -12.676 7.783 1.00 0.00 O ATOM 0 H SER A 40 5.258 -8.565 7.427 1.00 0.00 H new ATOM 0 HA SER A 40 6.581 -11.053 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.927 -11.000 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.910 -11.750 6.388 1.00 0.00 H new ATOM 0 HG SER A 40 4.391 -13.271 8.074 1.00 0.00 H new ATOM 561 N GLY A 41 4.425 -8.994 5.327 1.00 0.00 N ATOM 562 CA GLY A 41 4.014 -8.395 4.069 1.00 0.00 C ATOM 563 C GLY A 41 2.539 -7.988 4.111 1.00 0.00 C ATOM 564 O GLY A 41 2.084 -7.205 3.279 1.00 0.00 O ATOM 0 H GLY A 41 3.989 -8.588 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.630 -7.521 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.177 -9.102 3.255 1.00 0.00 H new ATOM 568 N TRP A 42 1.834 -8.539 5.088 1.00 0.00 N ATOM 569 CA TRP A 42 0.421 -8.243 5.250 1.00 0.00 C ATOM 570 C TRP A 42 0.293 -6.798 5.737 1.00 0.00 C ATOM 571 O TRP A 42 0.677 -6.483 6.862 1.00 0.00 O ATOM 572 CB TRP A 42 -0.247 -9.251 6.186 1.00 0.00 C ATOM 573 CG TRP A 42 -0.422 -10.645 5.579 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.386 -11.706 5.703 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.511 -11.086 4.741 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.101 -12.796 5.009 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.291 -12.407 4.406 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.645 -10.393 4.281 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.161 -13.148 3.597 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.505 -11.148 3.474 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.297 -12.478 3.128 1.00 0.00 C ATOM 0 H TRP A 42 2.215 -9.189 5.776 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.104 -8.337 4.299 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.347 -9.335 7.096 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.225 -8.868 6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.303 -11.709 6.274 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.333 -13.717 4.950 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.837 -9.360 4.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.966 -14.181 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.392 -10.663 3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.009 -12.992 2.500 1.00 0.00 H new ATOM 592 N TRP A 43 -0.249 -5.960 4.866 1.00 0.00 N ATOM 593 CA TRP A 43 -0.432 -4.556 5.194 1.00 0.00 C ATOM 594 C TRP A 43 -1.935 -4.272 5.230 1.00 0.00 C ATOM 595 O TRP A 43 -2.692 -4.810 4.424 1.00 0.00 O ATOM 596 CB TRP A 43 0.322 -3.660 4.209 1.00 0.00 C ATOM 597 CG TRP A 43 1.844 -3.728 4.346 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.562 -4.433 5.230 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.812 -3.033 3.532 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.917 -4.245 5.047 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.074 -3.366 3.981 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.628 -2.153 2.451 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.249 -2.864 3.410 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.813 -1.659 1.891 1.00 0.00 C ATOM 605 CH2 TRP A 43 5.090 -1.985 2.332 1.00 0.00 C ATOM 0 H TRP A 43 -0.567 -6.226 3.934 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.011 -4.330 6.174 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.046 -3.942 3.193 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.000 -2.628 4.352 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.134 -5.069 5.991 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.665 -4.672 5.593 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.651 -1.880 2.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.225 -3.140 3.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.728 -0.977 1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.956 -1.562 1.845 1.00 0.00 H new ATOM 616 N GLN A 44 -2.322 -3.426 6.174 1.00 0.00 N ATOM 617 CA GLN A 44 -3.721 -3.064 6.326 1.00 0.00 C ATOM 618 C GLN A 44 -3.932 -1.594 5.956 1.00 0.00 C ATOM 619 O GLN A 44 -3.554 -0.700 6.711 1.00 0.00 O ATOM 620 CB GLN A 44 -4.209 -3.347 7.748 1.00 0.00 C ATOM 621 CG GLN A 44 -5.710 -3.644 7.764 1.00 0.00 C ATOM 622 CD GLN A 44 -6.270 -3.565 9.186 1.00 0.00 C ATOM 623 OE1 GLN A 44 -6.912 -4.477 9.680 1.00 0.00 O ATOM 624 NE2 GLN A 44 -5.991 -2.426 9.815 1.00 0.00 N ATOM 0 H GLN A 44 -1.691 -2.981 6.841 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.311 -3.678 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.663 -4.195 8.162 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.998 -2.489 8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.232 -2.933 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.892 -4.637 7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.448 -1.703 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.320 -2.276 10.769 1.00 0.00 H new ATOM 633 N GLY A 45 -4.536 -1.390 4.795 1.00 0.00 N ATOM 634 CA GLY A 45 -4.802 -0.045 4.315 1.00 0.00 C ATOM 635 C GLY A 45 -6.244 0.087 3.823 1.00 0.00 C ATOM 636 O GLY A 45 -7.024 -0.860 3.914 1.00 0.00 O ATOM 0 H GLY A 45 -4.849 -2.135 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.620 0.673 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.114 0.199 3.505 1.00 0.00 H new ATOM 640 N GLU A 46 -6.556 1.269 3.311 1.00 0.00 N ATOM 641 CA GLU A 46 -7.891 1.537 2.804 1.00 0.00 C ATOM 642 C GLU A 46 -7.836 1.860 1.310 1.00 0.00 C ATOM 643 O GLU A 46 -7.090 2.742 0.889 1.00 0.00 O ATOM 644 CB GLU A 46 -8.557 2.670 3.587 1.00 0.00 C ATOM 645 CG GLU A 46 -10.062 2.716 3.311 1.00 0.00 C ATOM 646 CD GLU A 46 -10.628 4.109 3.591 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.439 4.984 2.719 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.237 4.268 4.671 1.00 0.00 O ATOM 0 H GLU A 46 -5.907 2.052 3.237 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.497 0.641 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.383 2.531 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.104 3.622 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.254 2.444 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.572 1.980 3.933 1.00 0.00 H new ATOM 655 N LEU A 47 -8.637 1.128 0.549 1.00 0.00 N ATOM 656 CA LEU A 47 -8.689 1.326 -0.889 1.00 0.00 C ATOM 657 C LEU A 47 -9.120 2.763 -1.187 1.00 0.00 C ATOM 658 O LEU A 47 -10.263 3.139 -0.929 1.00 0.00 O ATOM 659 CB LEU A 47 -9.581 0.268 -1.544 1.00 0.00 C ATOM 660 CG LEU A 47 -9.047 -0.351 -2.837 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.704 -1.706 -3.107 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.212 0.611 -4.015 1.00 0.00 C ATOM 0 H LEU A 47 -9.255 0.397 0.902 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.700 1.192 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.750 -0.533 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.551 0.718 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.979 -0.529 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.307 -2.125 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.492 -2.384 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.782 -1.575 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.824 0.146 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.268 0.844 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.661 1.530 -3.814 1.00 0.00 H new ATOM 674 N GLN A 48 -8.183 3.529 -1.726 1.00 0.00 N ATOM 675 CA GLN A 48 -8.452 4.917 -2.061 1.00 0.00 C ATOM 676 C GLN A 48 -8.960 5.027 -3.501 1.00 0.00 C ATOM 677 O GLN A 48 -8.677 6.006 -4.190 1.00 0.00 O ATOM 678 CB GLN A 48 -7.208 5.783 -1.852 1.00 0.00 C ATOM 679 CG GLN A 48 -6.715 5.693 -0.406 1.00 0.00 C ATOM 680 CD GLN A 48 -7.796 6.159 0.572 1.00 0.00 C ATOM 681 OE1 GLN A 48 -8.333 7.250 0.470 1.00 0.00 O ATOM 682 NE2 GLN A 48 -8.084 5.274 1.522 1.00 0.00 N ATOM 0 H GLN A 48 -7.236 3.215 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.229 5.287 -1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.418 5.461 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.437 6.820 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.432 4.665 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.821 6.305 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.596 4.379 1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.793 5.491 2.223 1.00 0.00 H new ATOM 800 N GLN A 55 -13.317 0.195 1.418 1.00 0.00 N ATOM 801 CA GLN A 55 -12.448 -0.969 1.454 1.00 0.00 C ATOM 802 C GLN A 55 -11.312 -0.753 2.455 1.00 0.00 C ATOM 803 O GLN A 55 -10.627 0.268 2.412 1.00 0.00 O ATOM 804 CB GLN A 55 -11.899 -1.286 0.061 1.00 0.00 C ATOM 805 CG GLN A 55 -12.881 -2.152 -0.732 1.00 0.00 C ATOM 806 CD GLN A 55 -13.567 -1.337 -1.830 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.569 -0.117 -1.824 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.146 -2.077 -2.771 1.00 0.00 N ATOM 0 HA GLN A 55 -13.035 -1.827 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.709 -0.358 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.944 -1.803 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.351 -2.995 -1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.632 -2.566 -0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.107 -3.095 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.629 -1.627 -3.548 1.00 0.00 H new ATOM 817 N LYS A 56 -11.147 -1.731 3.334 1.00 0.00 N ATOM 818 CA LYS A 56 -10.106 -1.661 4.345 1.00 0.00 C ATOM 819 C LYS A 56 -9.869 -3.056 4.925 1.00 0.00 C ATOM 820 O LYS A 56 -10.808 -3.714 5.372 1.00 0.00 O ATOM 821 CB LYS A 56 -10.452 -0.607 5.398 1.00 0.00 C ATOM 822 CG LYS A 56 -9.212 -0.205 6.200 1.00 0.00 C ATOM 823 CD LYS A 56 -9.022 -1.121 7.411 1.00 0.00 C ATOM 824 CE LYS A 56 -9.382 -0.397 8.709 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.773 -0.709 9.108 1.00 0.00 N ATOM 0 H LYS A 56 -11.717 -2.576 3.367 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.165 -1.337 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.876 0.272 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.214 -0.998 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.330 -0.253 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.309 0.828 6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.645 -2.009 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.987 -1.461 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.695 -0.695 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.268 0.679 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.001 -0.209 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.426 -0.403 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.870 -1.734 9.255 1.00 0.00 H new ATOM 839 N GLY A 57 -8.610 -3.467 4.900 1.00 0.00 N ATOM 840 CA GLY A 57 -8.239 -4.773 5.418 1.00 0.00 C ATOM 841 C GLY A 57 -6.755 -5.058 5.174 1.00 0.00 C ATOM 842 O GLY A 57 -6.069 -4.276 4.518 1.00 0.00 O ATOM 0 H GLY A 57 -7.834 -2.919 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.451 -4.818 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.844 -5.543 4.940 1.00 0.00 H new ATOM 846 N TRP A 58 -6.304 -6.180 5.715 1.00 0.00 N ATOM 847 CA TRP A 58 -4.915 -6.578 5.564 1.00 0.00 C ATOM 848 C TRP A 58 -4.757 -7.230 4.189 1.00 0.00 C ATOM 849 O TRP A 58 -5.667 -7.902 3.708 1.00 0.00 O ATOM 850 CB TRP A 58 -4.479 -7.492 6.712 1.00 0.00 C ATOM 851 CG TRP A 58 -4.368 -6.783 8.063 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.361 -6.416 8.886 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.152 -6.369 8.720 1.00 0.00 C ATOM 854 NE1 TRP A 58 -4.875 -5.798 10.020 1.00 0.00 N ATOM 855 CE2 TRP A 58 -3.489 -5.768 9.916 1.00 0.00 C ATOM 856 CE3 TRP A 58 -1.811 -6.497 8.317 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -2.542 -5.248 10.806 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -0.877 -5.973 9.218 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.200 -5.365 10.426 1.00 0.00 C ATOM 0 H TRP A 58 -6.876 -6.826 6.259 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.257 -5.710 5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.192 -8.312 6.801 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.514 -7.934 6.465 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.409 -6.583 8.686 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -5.431 -5.431 10.793 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.524 -6.963 7.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -2.831 -4.781 11.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.168 -6.046 8.957 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.419 -4.985 11.068 1.00 0.00 H new ATOM 870 N PHE A 59 -3.594 -7.007 3.594 1.00 0.00 N ATOM 871 CA PHE A 59 -3.304 -7.563 2.284 1.00 0.00 C ATOM 872 C PHE A 59 -1.796 -7.716 2.074 1.00 0.00 C ATOM 873 O PHE A 59 -1.002 -7.096 2.778 1.00 0.00 O ATOM 874 CB PHE A 59 -3.854 -6.580 1.249 1.00 0.00 C ATOM 875 CG PHE A 59 -3.121 -5.237 1.216 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.861 -5.162 0.711 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.731 -4.118 1.692 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.181 -3.915 0.681 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.051 -2.872 1.662 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.791 -2.797 1.158 1.00 0.00 C ATOM 0 H PHE A 59 -2.841 -6.448 3.996 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.758 -8.549 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.797 -7.038 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.909 -6.402 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.377 -6.050 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.732 -4.177 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.180 -3.855 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.535 -1.984 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.274 -1.849 1.136 1.00 0.00 H new ATOM 890 N PRO A 60 -1.439 -8.569 1.077 1.00 0.00 N ATOM 891 CA PRO A 60 -0.040 -8.812 0.765 1.00 0.00 C ATOM 892 C PRO A 60 0.569 -7.625 0.016 1.00 0.00 C ATOM 893 O PRO A 60 0.006 -7.154 -0.971 1.00 0.00 O ATOM 894 CB PRO A 60 -0.036 -10.094 -0.050 1.00 0.00 C ATOM 895 CG PRO A 60 -1.457 -10.270 -0.559 1.00 0.00 C ATOM 896 CD PRO A 60 -2.352 -9.322 0.222 1.00 0.00 C ATOM 0 HA PRO A 60 0.577 -8.921 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.670 -10.028 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.268 -10.944 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.510 -10.053 -1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.785 -11.301 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.906 -8.661 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.088 -9.868 0.813 1.00 0.00 H new ATOM 904 N ALA A 61 1.711 -7.175 0.514 1.00 0.00 N ATOM 905 CA ALA A 61 2.402 -6.052 -0.096 1.00 0.00 C ATOM 906 C ALA A 61 2.985 -6.487 -1.442 1.00 0.00 C ATOM 907 O ALA A 61 3.169 -5.665 -2.338 1.00 0.00 O ATOM 908 CB ALA A 61 3.475 -5.531 0.863 1.00 0.00 C ATOM 0 H ALA A 61 2.175 -7.568 1.333 1.00 0.00 H new ATOM 0 HA ALA A 61 1.709 -5.233 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.994 -4.688 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.006 -5.207 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.190 -6.326 1.075 1.00 0.00 H new ATOM 914 N SER A 62 3.260 -7.779 -1.541 1.00 0.00 N ATOM 915 CA SER A 62 3.818 -8.334 -2.763 1.00 0.00 C ATOM 916 C SER A 62 2.901 -8.021 -3.946 1.00 0.00 C ATOM 917 O SER A 62 3.323 -8.092 -5.099 1.00 0.00 O ATOM 918 CB SER A 62 4.026 -9.844 -2.637 1.00 0.00 C ATOM 919 OG SER A 62 5.019 -10.168 -1.668 1.00 0.00 O ATOM 0 H SER A 62 3.107 -8.458 -0.795 1.00 0.00 H new ATOM 0 HA SER A 62 4.791 -7.874 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.084 -10.318 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.318 -10.252 -3.605 1.00 0.00 H new ATOM 0 HG SER A 62 5.121 -11.141 -1.617 1.00 0.00 H new ATOM 925 N HIS A 63 1.662 -7.681 -3.621 1.00 0.00 N ATOM 926 CA HIS A 63 0.682 -7.357 -4.643 1.00 0.00 C ATOM 927 C HIS A 63 0.664 -5.845 -4.876 1.00 0.00 C ATOM 928 O HIS A 63 -0.067 -5.354 -5.735 1.00 0.00 O ATOM 929 CB HIS A 63 -0.694 -7.916 -4.273 1.00 0.00 C ATOM 930 CG HIS A 63 -0.840 -9.399 -4.518 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.434 -9.915 -5.657 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.463 -10.469 -3.761 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.410 -11.238 -5.577 1.00 0.00 C ATOM 934 NE2 HIS A 63 -0.809 -11.579 -4.401 1.00 0.00 N ATOM 0 H HIS A 63 1.315 -7.623 -2.664 1.00 0.00 H new ATOM 0 HA HIS A 63 0.962 -7.831 -5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.887 -7.711 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.456 -7.387 -4.845 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.033 -10.421 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.798 -11.925 -6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.651 -12.530 -4.068 1.00 0.00 H new ATOM 942 N VAL A 64 1.477 -5.149 -4.095 1.00 0.00 N ATOM 943 CA VAL A 64 1.564 -3.702 -4.206 1.00 0.00 C ATOM 944 C VAL A 64 3.036 -3.285 -4.238 1.00 0.00 C ATOM 945 O VAL A 64 3.925 -4.121 -4.082 1.00 0.00 O ATOM 946 CB VAL A 64 0.780 -3.043 -3.069 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.485 -3.838 -2.741 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.657 -2.870 -1.827 1.00 0.00 C ATOM 0 H VAL A 64 2.081 -5.560 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 64 1.110 -3.362 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 64 0.474 -2.052 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.023 -3.347 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.124 -3.886 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.211 -4.848 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.076 -2.399 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.007 -3.846 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.513 -2.241 -2.071 1.00 0.00 H new ATOM 958 N LYS A 65 3.247 -1.993 -4.441 1.00 0.00 N ATOM 959 CA LYS A 65 4.596 -1.455 -4.495 1.00 0.00 C ATOM 960 C LYS A 65 4.619 -0.079 -3.826 1.00 0.00 C ATOM 961 O LYS A 65 3.880 0.821 -4.224 1.00 0.00 O ATOM 962 CB LYS A 65 5.112 -1.447 -5.935 1.00 0.00 C ATOM 963 CG LYS A 65 4.525 -0.274 -6.722 1.00 0.00 C ATOM 964 CD LYS A 65 5.060 -0.252 -8.155 1.00 0.00 C ATOM 965 CE LYS A 65 5.627 1.125 -8.507 1.00 0.00 C ATOM 966 NZ LYS A 65 6.921 0.988 -9.213 1.00 0.00 N ATOM 0 H LYS A 65 2.507 -1.303 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 65 5.283 -2.092 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.200 -1.381 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.850 -2.385 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.438 -0.350 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.772 0.663 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.836 -1.009 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.260 -0.508 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.919 1.667 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.762 1.712 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.292 1.932 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.599 0.490 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.782 0.446 -10.090 1.00 0.00 H new ATOM 980 N LEU A 66 5.474 0.041 -2.822 1.00 0.00 N ATOM 981 CA LEU A 66 5.603 1.292 -2.094 1.00 0.00 C ATOM 982 C LEU A 66 6.008 2.403 -3.066 1.00 0.00 C ATOM 983 O LEU A 66 6.926 2.229 -3.866 1.00 0.00 O ATOM 984 CB LEU A 66 6.562 1.129 -0.913 1.00 0.00 C ATOM 985 CG LEU A 66 5.921 0.751 0.424 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.946 0.806 1.558 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.699 1.627 0.713 1.00 0.00 C ATOM 0 H LEU A 66 6.085 -0.708 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 66 4.646 1.580 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.297 0.366 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.106 2.064 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 66 5.571 -0.279 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.465 0.533 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.757 0.108 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.348 1.816 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.262 1.338 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.003 2.673 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.961 1.495 -0.078 1.00 0.00 H new ATOM 999 N LEU A 67 5.303 3.520 -2.964 1.00 0.00 N ATOM 1000 CA LEU A 67 5.578 4.659 -3.824 1.00 0.00 C ATOM 1001 C LEU A 67 6.545 5.608 -3.113 1.00 0.00 C ATOM 1002 O LEU A 67 6.687 6.765 -3.506 1.00 0.00 O ATOM 1003 CB LEU A 67 4.272 5.327 -4.261 1.00 0.00 C ATOM 1004 CG LEU A 67 3.327 4.465 -5.101 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.205 5.312 -5.705 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.098 3.689 -6.171 1.00 0.00 C ATOM 0 H LEU A 67 4.542 3.661 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 67 6.067 4.334 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.738 5.654 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.518 6.223 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 67 2.860 3.731 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.547 4.676 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.632 5.781 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.635 6.084 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.403 3.085 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.610 4.390 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.831 3.039 -5.692 1.00 0.00 H new