USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=10 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 44 GLN : amide:sc= -1.85 K(o=-4.1,f=-5!) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 165:sc= -2.3 (180deg=-2.38!) USER MOD Set 2.1: A 38 ASN : amide:sc= -1.97! C(o=-1.9!,f=-5.5!) USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 0.041 USER MOD Set 3.1: A 16 TYR OH : rot -97:sc= 0.704 USER MOD Set 3.2: A 23 GLN : amide:sc= 0.499 K(o=1.2,f=-4.9!) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -10.3! C(o=-10!,f=-9.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= -1.01 (180deg=-1.07) USER MOD Single : A 39 THR OG1 : rot 68:sc= 0.853 USER MOD Single : A 48 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.07) USER MOD Single : A 55 GLN : amide:sc= -0.187 K(o=-0.19,f=-1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -3.5 K(o=-3.5,f=-9.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.206 6.479 3.612 1.00 0.00 N ATOM 67 CA GLU A 8 2.005 5.853 2.573 1.00 0.00 C ATOM 68 C GLU A 8 1.102 5.130 1.571 1.00 0.00 C ATOM 69 O GLU A 8 0.543 4.079 1.881 1.00 0.00 O ATOM 70 CB GLU A 8 3.034 4.894 3.174 1.00 0.00 C ATOM 71 CG GLU A 8 4.453 5.446 3.021 1.00 0.00 C ATOM 72 CD GLU A 8 5.462 4.314 2.816 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.519 3.437 3.705 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.153 4.351 1.776 1.00 0.00 O ATOM 0 HA GLU A 8 2.551 6.634 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.814 4.734 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.962 3.924 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.492 6.130 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.721 6.021 3.907 1.00 0.00 H new ATOM 81 N ILE A 9 0.987 5.722 0.392 1.00 0.00 N ATOM 82 CA ILE A 9 0.162 5.148 -0.657 1.00 0.00 C ATOM 83 C ILE A 9 0.940 4.034 -1.360 1.00 0.00 C ATOM 84 O ILE A 9 2.158 4.119 -1.505 1.00 0.00 O ATOM 85 CB ILE A 9 -0.339 6.241 -1.603 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.435 7.079 -0.942 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.800 5.644 -2.935 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.753 6.306 -0.876 1.00 0.00 C ATOM 0 H ILE A 9 1.452 6.594 0.140 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.732 4.693 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 9 0.492 6.912 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.125 7.362 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.579 8.003 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.151 6.442 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.034 5.126 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.611 4.938 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.515 6.925 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.073 6.046 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.612 5.395 -0.294 1.00 0.00 H new ATOM 100 N ALA A 10 0.204 3.015 -1.779 1.00 0.00 N ATOM 101 CA ALA A 10 0.809 1.886 -2.464 1.00 0.00 C ATOM 102 C ALA A 10 0.134 1.697 -3.823 1.00 0.00 C ATOM 103 O ALA A 10 -1.062 1.949 -3.967 1.00 0.00 O ATOM 104 CB ALA A 10 0.706 0.639 -1.583 1.00 0.00 C ATOM 0 H ALA A 10 -0.806 2.948 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 10 1.868 2.071 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.160 -0.208 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.227 0.814 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.343 0.421 -1.382 1.00 0.00 H new ATOM 110 N GLN A 11 0.929 1.256 -4.787 1.00 0.00 N ATOM 111 CA GLN A 11 0.422 1.030 -6.131 1.00 0.00 C ATOM 112 C GLN A 11 0.338 -0.469 -6.421 1.00 0.00 C ATOM 113 O GLN A 11 1.361 -1.141 -6.542 1.00 0.00 O ATOM 114 CB GLN A 11 1.290 1.742 -7.170 1.00 0.00 C ATOM 115 CG GLN A 11 0.904 1.319 -8.589 1.00 0.00 C ATOM 116 CD GLN A 11 1.302 2.389 -9.608 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.322 3.047 -9.489 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.441 2.526 -10.612 1.00 0.00 N ATOM 0 H GLN A 11 1.920 1.049 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.582 1.449 -6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.178 2.821 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.340 1.512 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.392 0.376 -8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.171 1.145 -8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.394 1.942 -10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.616 3.215 -11.343 1.00 0.00 H new ATOM 127 N VAL A 12 -0.892 -0.951 -6.525 1.00 0.00 N ATOM 128 CA VAL A 12 -1.124 -2.359 -6.800 1.00 0.00 C ATOM 129 C VAL A 12 -0.392 -2.751 -8.085 1.00 0.00 C ATOM 130 O VAL A 12 -0.501 -2.063 -9.099 1.00 0.00 O ATOM 131 CB VAL A 12 -2.626 -2.641 -6.857 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.897 -4.105 -7.211 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.306 -2.261 -5.540 1.00 0.00 C ATOM 0 H VAL A 12 -1.739 -0.391 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.722 -2.976 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.053 -2.021 -7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.973 -4.278 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.462 -4.330 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.449 -4.751 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.373 -2.472 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.872 -2.842 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.157 -1.199 -5.347 1.00 0.00 H new ATOM 143 N THR A 13 0.337 -3.854 -8.001 1.00 0.00 N ATOM 144 CA THR A 13 1.086 -4.345 -9.145 1.00 0.00 C ATOM 145 C THR A 13 0.551 -5.709 -9.587 1.00 0.00 C ATOM 146 O THR A 13 0.854 -6.173 -10.685 1.00 0.00 O ATOM 147 CB THR A 13 2.568 -4.367 -8.766 1.00 0.00 C ATOM 148 OG1 THR A 13 2.643 -5.328 -7.716 1.00 0.00 O ATOM 149 CG2 THR A 13 3.024 -3.062 -8.110 1.00 0.00 C ATOM 0 H THR A 13 0.425 -4.422 -7.158 1.00 0.00 H new ATOM 0 HA THR A 13 0.966 -3.689 -10.007 1.00 0.00 H new ATOM 0 HB THR A 13 3.168 -4.554 -9.657 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.571 -5.407 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.083 -3.131 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.867 -2.233 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.448 -2.891 -7.201 1.00 0.00 H new ATOM 157 N SER A 14 -0.235 -6.314 -8.708 1.00 0.00 N ATOM 158 CA SER A 14 -0.814 -7.615 -8.993 1.00 0.00 C ATOM 159 C SER A 14 -2.193 -7.729 -8.340 1.00 0.00 C ATOM 160 O SER A 14 -2.343 -7.463 -7.148 1.00 0.00 O ATOM 161 CB SER A 14 0.098 -8.743 -8.507 1.00 0.00 C ATOM 162 OG SER A 14 1.454 -8.320 -8.391 1.00 0.00 O ATOM 0 H SER A 14 -0.484 -5.927 -7.798 1.00 0.00 H new ATOM 0 HA SER A 14 -0.921 -7.711 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.254 -9.103 -7.540 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.038 -9.582 -9.200 1.00 0.00 H new ATOM 0 HG SER A 14 2.004 -9.068 -8.077 1.00 0.00 H new ATOM 168 N ALA A 15 -3.165 -8.124 -9.148 1.00 0.00 N ATOM 169 CA ALA A 15 -4.526 -8.276 -8.664 1.00 0.00 C ATOM 170 C ALA A 15 -4.562 -9.366 -7.591 1.00 0.00 C ATOM 171 O ALA A 15 -3.824 -10.347 -7.672 1.00 0.00 O ATOM 172 CB ALA A 15 -5.456 -8.584 -9.839 1.00 0.00 C ATOM 0 H ALA A 15 -3.037 -8.344 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.876 -7.350 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.477 -8.698 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.416 -7.766 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.138 -9.508 -10.322 1.00 0.00 H new ATOM 178 N TYR A 16 -5.429 -9.159 -6.610 1.00 0.00 N ATOM 179 CA TYR A 16 -5.571 -10.112 -5.523 1.00 0.00 C ATOM 180 C TYR A 16 -7.044 -10.323 -5.167 1.00 0.00 C ATOM 181 O TYR A 16 -7.864 -9.423 -5.343 1.00 0.00 O ATOM 182 CB TYR A 16 -4.852 -9.492 -4.322 1.00 0.00 C ATOM 183 CG TYR A 16 -5.030 -10.273 -3.019 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.775 -11.629 -2.987 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.446 -9.622 -1.876 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.943 -12.365 -1.760 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.614 -10.358 -0.649 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.354 -11.692 -0.652 1.00 0.00 C ATOM 189 OH TYR A 16 -5.512 -12.387 0.507 1.00 0.00 O ATOM 0 H TYR A 16 -6.040 -8.345 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.157 -11.080 -5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.788 -9.418 -4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.218 -8.476 -4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.449 -12.138 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.646 -8.561 -1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.747 -13.426 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.939 -9.861 0.253 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.456 -12.623 0.621 1.00 0.00 H new ATOM 269 N GLN A 23 -9.269 -9.566 5.203 1.00 0.00 N ATOM 270 CA GLN A 23 -8.456 -9.347 4.019 1.00 0.00 C ATOM 271 C GLN A 23 -9.061 -8.237 3.157 1.00 0.00 C ATOM 272 O GLN A 23 -10.237 -7.906 3.302 1.00 0.00 O ATOM 273 CB GLN A 23 -8.295 -10.639 3.216 1.00 0.00 C ATOM 274 CG GLN A 23 -7.327 -11.599 3.910 1.00 0.00 C ATOM 275 CD GLN A 23 -7.279 -12.947 3.187 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.351 -13.031 1.972 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.155 -13.992 3.999 1.00 0.00 N ATOM 0 HA GLN A 23 -7.463 -9.032 4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.266 -11.120 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.928 -10.407 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.330 -11.160 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.636 -11.748 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.100 -13.850 5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.115 -14.935 3.613 1.00 0.00 H new ATOM 286 N LEU A 24 -8.231 -7.693 2.280 1.00 0.00 N ATOM 287 CA LEU A 24 -8.670 -6.627 1.395 1.00 0.00 C ATOM 288 C LEU A 24 -8.276 -6.970 -0.043 1.00 0.00 C ATOM 289 O LEU A 24 -7.122 -7.299 -0.312 1.00 0.00 O ATOM 290 CB LEU A 24 -8.134 -5.277 1.875 1.00 0.00 C ATOM 291 CG LEU A 24 -8.114 -4.155 0.835 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.509 -3.924 0.251 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.518 -2.874 1.421 1.00 0.00 C ATOM 0 H LEU A 24 -7.256 -7.970 2.163 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.756 -6.537 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.737 -4.950 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.118 -5.422 2.244 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.468 -4.463 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.467 -3.122 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.859 -4.838 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.197 -3.647 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.516 -2.093 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.117 -2.550 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.496 -3.065 1.748 1.00 0.00 H new ATOM 305 N SER A 25 -9.257 -6.880 -0.929 1.00 0.00 N ATOM 306 CA SER A 25 -9.027 -7.176 -2.333 1.00 0.00 C ATOM 307 C SER A 25 -8.185 -6.069 -2.970 1.00 0.00 C ATOM 308 O SER A 25 -8.406 -4.888 -2.709 1.00 0.00 O ATOM 309 CB SER A 25 -10.349 -7.338 -3.085 1.00 0.00 C ATOM 310 OG SER A 25 -11.193 -8.313 -2.479 1.00 0.00 O ATOM 0 H SER A 25 -10.213 -6.606 -0.702 1.00 0.00 H new ATOM 0 HA SER A 25 -8.485 -8.119 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.867 -6.380 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.146 -7.625 -4.117 1.00 0.00 H new ATOM 0 HG SER A 25 -12.027 -8.385 -2.988 1.00 0.00 H new ATOM 316 N LEU A 26 -7.237 -6.491 -3.794 1.00 0.00 N ATOM 317 CA LEU A 26 -6.361 -5.549 -4.471 1.00 0.00 C ATOM 318 C LEU A 26 -6.550 -5.679 -5.983 1.00 0.00 C ATOM 319 O LEU A 26 -6.734 -6.782 -6.497 1.00 0.00 O ATOM 320 CB LEU A 26 -4.913 -5.741 -4.014 1.00 0.00 C ATOM 321 CG LEU A 26 -4.698 -5.870 -2.504 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.311 -6.437 -2.195 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.941 -4.533 -1.800 1.00 0.00 C ATOM 0 H LEU A 26 -7.056 -7.472 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.623 -4.525 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.516 -6.635 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.324 -4.897 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.429 -6.577 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.184 -6.519 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.212 -7.424 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.548 -5.773 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.782 -4.652 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.249 -3.786 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.965 -4.208 -1.981 1.00 0.00 H new ATOM 335 N ALA A 27 -6.500 -4.538 -6.654 1.00 0.00 N ATOM 336 CA ALA A 27 -6.664 -4.510 -8.097 1.00 0.00 C ATOM 337 C ALA A 27 -5.506 -3.730 -8.723 1.00 0.00 C ATOM 338 O ALA A 27 -5.023 -2.758 -8.144 1.00 0.00 O ATOM 339 CB ALA A 27 -8.027 -3.909 -8.445 1.00 0.00 C ATOM 0 H ALA A 27 -6.348 -3.625 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.640 -5.520 -8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.150 -3.888 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.816 -4.516 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.088 -2.894 -8.053 1.00 0.00 H new ATOM 345 N PRO A 28 -5.083 -4.198 -9.928 1.00 0.00 N ATOM 346 CA PRO A 28 -3.991 -3.554 -10.639 1.00 0.00 C ATOM 347 C PRO A 28 -4.448 -2.238 -11.271 1.00 0.00 C ATOM 348 O PRO A 28 -5.248 -2.238 -12.205 1.00 0.00 O ATOM 349 CB PRO A 28 -3.533 -4.578 -11.665 1.00 0.00 C ATOM 350 CG PRO A 28 -4.677 -5.569 -11.805 1.00 0.00 C ATOM 351 CD PRO A 28 -5.631 -5.346 -10.644 1.00 0.00 C ATOM 0 HA PRO A 28 -3.169 -3.272 -9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.310 -4.101 -12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.621 -5.078 -11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.192 -5.426 -12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.299 -6.591 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.643 -5.147 -10.996 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.684 -6.225 -10.001 1.00 0.00 H new ATOM 359 N GLY A 29 -3.920 -1.147 -10.735 1.00 0.00 N ATOM 360 CA GLY A 29 -4.263 0.173 -11.235 1.00 0.00 C ATOM 361 C GLY A 29 -5.052 0.966 -10.192 1.00 0.00 C ATOM 362 O GLY A 29 -5.700 1.959 -10.520 1.00 0.00 O ATOM 0 H GLY A 29 -3.257 -1.151 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.354 0.714 -11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.852 0.079 -12.147 1.00 0.00 H new ATOM 366 N GLN A 30 -4.972 0.498 -8.954 1.00 0.00 N ATOM 367 CA GLN A 30 -5.671 1.151 -7.861 1.00 0.00 C ATOM 368 C GLN A 30 -4.669 1.737 -6.865 1.00 0.00 C ATOM 369 O GLN A 30 -3.462 1.550 -7.011 1.00 0.00 O ATOM 370 CB GLN A 30 -6.631 0.182 -7.167 1.00 0.00 C ATOM 371 CG GLN A 30 -7.933 0.040 -7.958 1.00 0.00 C ATOM 372 CD GLN A 30 -9.092 -0.352 -7.040 1.00 0.00 C ATOM 373 OE1 GLN A 30 -9.987 0.429 -6.758 1.00 0.00 O ATOM 374 NE2 GLN A 30 -9.028 -1.601 -6.589 1.00 0.00 N ATOM 0 H GLN A 30 -4.434 -0.325 -8.685 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.265 1.967 -8.272 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.156 -0.794 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.850 0.539 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.163 0.981 -8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.810 -0.713 -8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.252 -2.203 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.755 -1.957 -5.969 1.00 0.00 H new ATOM 383 N LEU A 31 -5.206 2.434 -5.874 1.00 0.00 N ATOM 384 CA LEU A 31 -4.373 3.048 -4.854 1.00 0.00 C ATOM 385 C LEU A 31 -4.933 2.707 -3.471 1.00 0.00 C ATOM 386 O LEU A 31 -6.148 2.672 -3.281 1.00 0.00 O ATOM 387 CB LEU A 31 -4.235 4.551 -5.108 1.00 0.00 C ATOM 388 CG LEU A 31 -3.610 4.950 -6.446 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.815 6.440 -6.725 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.133 4.555 -6.500 1.00 0.00 C ATOM 0 H LEU A 31 -6.208 2.587 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.361 2.647 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.225 5.003 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.635 4.981 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.120 4.401 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.361 6.697 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.882 6.660 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.348 7.026 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.712 4.850 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.592 5.058 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.040 3.476 -6.379 1.00 0.00 H new ATOM 402 N ILE A 32 -4.020 2.465 -2.542 1.00 0.00 N ATOM 403 CA ILE A 32 -4.408 2.128 -1.182 1.00 0.00 C ATOM 404 C ILE A 32 -3.540 2.916 -0.199 1.00 0.00 C ATOM 405 O ILE A 32 -2.390 3.234 -0.497 1.00 0.00 O ATOM 406 CB ILE A 32 -4.357 0.614 -0.970 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.625 -0.057 -1.501 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.101 0.274 0.499 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.330 -1.475 -1.995 1.00 0.00 C ATOM 0 H ILE A 32 -3.013 2.495 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.443 2.418 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.519 0.217 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.379 -0.092 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.041 0.536 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.070 -0.809 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.149 0.702 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.902 0.686 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.248 -1.929 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.594 -1.435 -2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.937 -2.073 -1.172 1.00 0.00 H new ATOM 421 N LEU A 33 -4.125 3.210 0.953 1.00 0.00 N ATOM 422 CA LEU A 33 -3.420 3.955 1.982 1.00 0.00 C ATOM 423 C LEU A 33 -2.986 2.997 3.093 1.00 0.00 C ATOM 424 O LEU A 33 -3.825 2.404 3.769 1.00 0.00 O ATOM 425 CB LEU A 33 -4.273 5.124 2.477 1.00 0.00 C ATOM 426 CG LEU A 33 -3.558 6.152 3.356 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.950 7.270 2.508 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.495 6.697 4.436 1.00 0.00 C ATOM 0 H LEU A 33 -5.080 2.946 1.196 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.514 4.402 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.684 5.641 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.117 4.721 3.037 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.735 5.651 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.448 7.987 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.229 6.846 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.740 7.775 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.962 7.426 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.353 7.177 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.839 5.877 5.067 1.00 0.00 H new ATOM 440 N ILE A 34 -1.675 2.874 3.246 1.00 0.00 N ATOM 441 CA ILE A 34 -1.120 1.997 4.263 1.00 0.00 C ATOM 442 C ILE A 34 -1.446 2.560 5.648 1.00 0.00 C ATOM 443 O ILE A 34 -1.096 3.698 5.958 1.00 0.00 O ATOM 444 CB ILE A 34 0.376 1.780 4.024 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.629 1.187 2.636 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.989 0.924 5.134 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.100 -0.147 2.469 1.00 0.00 C ATOM 0 H ILE A 34 -0.982 3.367 2.683 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.576 1.009 4.205 1.00 0.00 H new ATOM 0 HB ILE A 34 0.872 2.750 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.294 1.887 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.699 1.042 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.053 0.785 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.857 1.424 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.495 -0.047 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.096 -0.547 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.255 -0.852 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.172 0.006 2.593 1.00 0.00 H new ATOM 459 N LEU A 35 -2.112 1.736 6.444 1.00 0.00 N ATOM 460 CA LEU A 35 -2.489 2.137 7.789 1.00 0.00 C ATOM 461 C LEU A 35 -1.611 1.400 8.801 1.00 0.00 C ATOM 462 O LEU A 35 -1.031 2.018 9.692 1.00 0.00 O ATOM 463 CB LEU A 35 -3.989 1.930 8.009 1.00 0.00 C ATOM 464 CG LEU A 35 -4.915 2.602 6.993 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.238 1.842 6.871 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.131 4.076 7.339 1.00 0.00 C ATOM 0 H LEU A 35 -2.400 0.793 6.183 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.314 3.203 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.192 0.859 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.245 2.298 9.003 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.432 2.568 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.878 2.340 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.042 0.821 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.737 1.823 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.793 4.530 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.582 4.155 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.173 4.595 7.335 1.00 0.00 H new ATOM 478 N LYS A 36 -1.541 0.088 8.631 1.00 0.00 N ATOM 479 CA LYS A 36 -0.744 -0.741 9.519 1.00 0.00 C ATOM 480 C LYS A 36 0.094 -1.714 8.686 1.00 0.00 C ATOM 481 O LYS A 36 -0.238 -1.998 7.537 1.00 0.00 O ATOM 482 CB LYS A 36 -1.635 -1.429 10.555 1.00 0.00 C ATOM 483 CG LYS A 36 -0.981 -1.414 11.938 1.00 0.00 C ATOM 484 CD LYS A 36 -1.919 -0.804 12.981 1.00 0.00 C ATOM 485 CE LYS A 36 -2.221 -1.805 14.098 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.322 -1.112 15.402 1.00 0.00 N ATOM 0 H LYS A 36 -2.024 -0.422 7.891 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.048 -0.127 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.601 -0.926 10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.825 -2.458 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.718 -2.430 12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.053 -0.843 11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.465 0.092 13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.849 -0.495 12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.153 -2.327 13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.435 -2.560 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.527 -1.806 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.423 -0.634 15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.087 -0.409 15.363 1.00 0.00 H new ATOM 500 N LYS A 37 1.165 -2.196 9.299 1.00 0.00 N ATOM 501 CA LYS A 37 2.053 -3.131 8.629 1.00 0.00 C ATOM 502 C LYS A 37 2.277 -4.349 9.527 1.00 0.00 C ATOM 503 O LYS A 37 1.925 -4.329 10.706 1.00 0.00 O ATOM 504 CB LYS A 37 3.347 -2.432 8.207 1.00 0.00 C ATOM 505 CG LYS A 37 3.078 -1.389 7.120 1.00 0.00 C ATOM 506 CD LYS A 37 4.359 -1.053 6.354 1.00 0.00 C ATOM 507 CE LYS A 37 4.196 0.241 5.554 1.00 0.00 C ATOM 508 NZ LYS A 37 5.470 0.606 4.895 1.00 0.00 N ATOM 0 H LYS A 37 1.438 -1.957 10.252 1.00 0.00 H new ATOM 0 HA LYS A 37 1.598 -3.494 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.804 -1.951 9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.060 -3.170 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.324 -1.765 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.672 -0.484 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.189 -0.950 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.610 -1.872 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.415 0.116 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.878 1.047 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.329 1.458 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.193 0.795 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.784 -0.178 4.288 1.00 0.00 H new ATOM 522 N ASN A 38 2.860 -5.381 8.936 1.00 0.00 N ATOM 523 CA ASN A 38 3.135 -6.606 9.668 1.00 0.00 C ATOM 524 C ASN A 38 4.519 -7.128 9.278 1.00 0.00 C ATOM 525 O ASN A 38 5.076 -6.722 8.260 1.00 0.00 O ATOM 526 CB ASN A 38 2.109 -7.690 9.333 1.00 0.00 C ATOM 527 CG ASN A 38 2.434 -8.997 10.059 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.978 -9.011 11.151 1.00 0.00 O ATOM 529 ND2 ASN A 38 2.072 -10.090 9.394 1.00 0.00 N ATOM 0 H ASN A 38 3.150 -5.394 7.958 1.00 0.00 H new ATOM 0 HA ASN A 38 3.086 -6.380 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.112 -7.352 9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.095 -7.862 8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.246 -11.012 9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.620 -10.007 8.483 1.00 0.00 H new ATOM 536 N THR A 39 5.035 -8.022 10.110 1.00 0.00 N ATOM 537 CA THR A 39 6.343 -8.604 9.865 1.00 0.00 C ATOM 538 C THR A 39 6.207 -9.916 9.089 1.00 0.00 C ATOM 539 O THR A 39 6.864 -10.904 9.413 1.00 0.00 O ATOM 540 CB THR A 39 7.048 -8.766 11.213 1.00 0.00 C ATOM 541 OG1 THR A 39 6.527 -9.986 11.733 1.00 0.00 O ATOM 542 CG2 THR A 39 6.614 -7.711 12.232 1.00 0.00 C ATOM 0 H THR A 39 4.570 -8.357 10.954 1.00 0.00 H new ATOM 0 HA THR A 39 6.954 -7.954 9.238 1.00 0.00 H new ATOM 0 HB THR A 39 8.127 -8.707 11.067 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.844 -10.736 11.188 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.144 -7.872 13.171 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.847 -6.718 11.849 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.541 -7.791 12.404 1.00 0.00 H new ATOM 550 N SER A 40 5.349 -9.883 8.080 1.00 0.00 N ATOM 551 CA SER A 40 5.117 -11.056 7.255 1.00 0.00 C ATOM 552 C SER A 40 4.908 -10.639 5.798 1.00 0.00 C ATOM 553 O SER A 40 5.434 -11.274 4.886 1.00 0.00 O ATOM 554 CB SER A 40 3.912 -11.854 7.758 1.00 0.00 C ATOM 555 OG SER A 40 4.059 -12.241 9.121 1.00 0.00 O ATOM 0 H SER A 40 4.806 -9.061 7.815 1.00 0.00 H new ATOM 0 HA SER A 40 5.996 -11.698 7.319 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.008 -11.255 7.647 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.783 -12.743 7.141 1.00 0.00 H new ATOM 0 HG SER A 40 3.269 -12.747 9.405 1.00 0.00 H new ATOM 561 N GLY A 41 4.138 -9.575 5.626 1.00 0.00 N ATOM 562 CA GLY A 41 3.852 -9.066 4.295 1.00 0.00 C ATOM 563 C GLY A 41 2.431 -8.506 4.216 1.00 0.00 C ATOM 564 O GLY A 41 2.098 -7.777 3.283 1.00 0.00 O ATOM 0 H GLY A 41 3.703 -9.051 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.569 -8.286 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.973 -9.864 3.563 1.00 0.00 H new ATOM 568 N TRP A 42 1.630 -8.869 5.207 1.00 0.00 N ATOM 569 CA TRP A 42 0.252 -8.412 5.261 1.00 0.00 C ATOM 570 C TRP A 42 0.254 -6.960 5.743 1.00 0.00 C ATOM 571 O TRP A 42 0.776 -6.658 6.814 1.00 0.00 O ATOM 572 CB TRP A 42 -0.597 -9.332 6.141 1.00 0.00 C ATOM 573 CG TRP A 42 -0.825 -10.724 5.548 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.084 -11.827 5.724 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.900 -11.119 4.671 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.602 -12.900 5.027 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.741 -12.456 4.367 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.972 -10.372 4.152 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.617 -13.162 3.533 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.839 -11.092 3.321 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.692 -12.437 3.004 1.00 0.00 C ATOM 0 H TRP A 42 1.909 -9.474 5.979 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.206 -8.451 4.273 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.113 -9.437 7.112 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.564 -8.860 6.316 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.806 -11.871 6.334 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.219 -13.845 5.001 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.115 -9.325 4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.471 -14.209 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.681 -10.565 2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.404 -12.921 2.352 1.00 0.00 H new ATOM 592 N TRP A 43 -0.337 -6.099 4.927 1.00 0.00 N ATOM 593 CA TRP A 43 -0.410 -4.685 5.256 1.00 0.00 C ATOM 594 C TRP A 43 -1.885 -4.316 5.431 1.00 0.00 C ATOM 595 O TRP A 43 -2.745 -4.825 4.715 1.00 0.00 O ATOM 596 CB TRP A 43 0.296 -3.838 4.196 1.00 0.00 C ATOM 597 CG TRP A 43 1.823 -3.886 4.277 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.582 -4.550 5.159 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.752 -3.212 3.401 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.927 -4.354 4.918 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.033 -3.515 3.815 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.517 -2.375 2.296 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.180 -3.023 3.180 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.674 -1.891 1.673 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.970 -2.187 2.077 1.00 0.00 C ATOM 0 H TRP A 43 -0.770 -6.353 4.039 1.00 0.00 H new ATOM 0 HA TRP A 43 0.114 -4.479 6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.016 -4.177 3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.031 -2.803 4.296 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.191 -5.162 5.958 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.700 -4.752 5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.523 -2.125 1.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.173 -3.275 3.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.550 -1.242 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.812 -1.774 1.542 1.00 0.00 H new ATOM 616 N GLN A 44 -2.131 -3.434 6.388 1.00 0.00 N ATOM 617 CA GLN A 44 -3.487 -2.991 6.667 1.00 0.00 C ATOM 618 C GLN A 44 -3.675 -1.541 6.214 1.00 0.00 C ATOM 619 O GLN A 44 -3.105 -0.624 6.803 1.00 0.00 O ATOM 620 CB GLN A 44 -3.821 -3.149 8.152 1.00 0.00 C ATOM 621 CG GLN A 44 -5.327 -3.020 8.391 1.00 0.00 C ATOM 622 CD GLN A 44 -5.622 -2.674 9.852 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.921 -1.904 10.488 1.00 0.00 O ATOM 624 NE2 GLN A 44 -6.695 -3.285 10.347 1.00 0.00 N ATOM 0 H GLN A 44 -1.415 -3.014 6.980 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.177 -3.620 6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.475 -4.120 8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.291 -2.392 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.737 -2.248 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.822 -3.955 8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.238 -3.918 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.975 -3.120 11.314 1.00 0.00 H new ATOM 633 N GLY A 45 -4.477 -1.381 5.171 1.00 0.00 N ATOM 634 CA GLY A 45 -4.747 -0.059 4.632 1.00 0.00 C ATOM 635 C GLY A 45 -6.119 -0.012 3.956 1.00 0.00 C ATOM 636 O GLY A 45 -6.842 -1.008 3.941 1.00 0.00 O ATOM 0 H GLY A 45 -4.948 -2.144 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.707 0.679 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.974 0.209 3.912 1.00 0.00 H new ATOM 640 N GLU A 46 -6.437 1.154 3.414 1.00 0.00 N ATOM 641 CA GLU A 46 -7.709 1.343 2.738 1.00 0.00 C ATOM 642 C GLU A 46 -7.482 1.681 1.263 1.00 0.00 C ATOM 643 O GLU A 46 -6.432 2.207 0.898 1.00 0.00 O ATOM 644 CB GLU A 46 -8.540 2.428 3.427 1.00 0.00 C ATOM 645 CG GLU A 46 -10.019 2.303 3.057 1.00 0.00 C ATOM 646 CD GLU A 46 -10.430 3.394 2.066 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.820 4.483 2.136 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.345 3.115 1.261 1.00 0.00 O ATOM 0 H GLU A 46 -5.836 1.978 3.429 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.270 0.410 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.424 2.349 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.171 3.412 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.207 1.322 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.630 2.375 3.957 1.00 0.00 H new ATOM 655 N LEU A 47 -8.483 1.364 0.456 1.00 0.00 N ATOM 656 CA LEU A 47 -8.406 1.627 -0.971 1.00 0.00 C ATOM 657 C LEU A 47 -8.864 3.060 -1.247 1.00 0.00 C ATOM 658 O LEU A 47 -9.837 3.528 -0.658 1.00 0.00 O ATOM 659 CB LEU A 47 -9.188 0.570 -1.754 1.00 0.00 C ATOM 660 CG LEU A 47 -9.143 0.694 -3.278 1.00 0.00 C ATOM 661 CD1 LEU A 47 -7.892 0.021 -3.847 1.00 0.00 C ATOM 662 CD2 LEU A 47 -10.425 0.150 -3.911 1.00 0.00 C ATOM 0 H LEU A 47 -9.352 0.927 0.763 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.375 1.549 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.807 -0.413 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.230 0.609 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.083 1.752 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.885 0.124 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.003 0.495 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.896 -1.037 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.367 0.250 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.542 -0.902 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.281 0.713 -3.540 1.00 0.00 H new ATOM 674 N GLN A 48 -8.141 3.717 -2.142 1.00 0.00 N ATOM 675 CA GLN A 48 -8.461 5.087 -2.503 1.00 0.00 C ATOM 676 C GLN A 48 -8.996 5.148 -3.935 1.00 0.00 C ATOM 677 O GLN A 48 -8.374 5.750 -4.809 1.00 0.00 O ATOM 678 CB GLN A 48 -7.243 5.998 -2.333 1.00 0.00 C ATOM 679 CG GLN A 48 -6.757 5.998 -0.883 1.00 0.00 C ATOM 680 CD GLN A 48 -7.561 6.985 -0.035 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.632 8.170 -0.315 1.00 0.00 O ATOM 682 NE2 GLN A 48 -8.161 6.433 1.016 1.00 0.00 N ATOM 0 H GLN A 48 -7.334 3.325 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.239 5.447 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.440 5.664 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.499 7.014 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.849 4.995 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.700 6.262 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.061 5.434 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.721 7.009 1.644 1.00 0.00 H new ATOM 800 N GLN A 55 -12.866 -0.002 0.947 1.00 0.00 N ATOM 801 CA GLN A 55 -12.125 -1.252 0.913 1.00 0.00 C ATOM 802 C GLN A 55 -10.925 -1.183 1.861 1.00 0.00 C ATOM 803 O GLN A 55 -9.915 -0.558 1.544 1.00 0.00 O ATOM 804 CB GLN A 55 -11.679 -1.587 -0.511 1.00 0.00 C ATOM 805 CG GLN A 55 -12.575 -2.664 -1.127 1.00 0.00 C ATOM 806 CD GLN A 55 -13.085 -2.232 -2.503 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.316 -1.064 -2.770 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.246 -3.237 -3.360 1.00 0.00 N ATOM 0 HA GLN A 55 -12.785 -2.052 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.709 -0.688 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.645 -1.931 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.018 -3.597 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.420 -2.860 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.034 -4.192 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.581 -3.052 -4.305 1.00 0.00 H new ATOM 817 N LYS A 56 -11.077 -1.834 3.005 1.00 0.00 N ATOM 818 CA LYS A 56 -10.019 -1.854 4.001 1.00 0.00 C ATOM 819 C LYS A 56 -9.870 -3.274 4.551 1.00 0.00 C ATOM 820 O LYS A 56 -10.862 -3.928 4.869 1.00 0.00 O ATOM 821 CB LYS A 56 -10.279 -0.801 5.079 1.00 0.00 C ATOM 822 CG LYS A 56 -9.141 -0.772 6.102 1.00 0.00 C ATOM 823 CD LYS A 56 -9.459 -1.667 7.302 1.00 0.00 C ATOM 824 CE LYS A 56 -8.286 -2.596 7.619 1.00 0.00 C ATOM 825 NZ LYS A 56 -8.776 -3.890 8.144 1.00 0.00 N ATOM 0 H LYS A 56 -11.917 -2.352 3.264 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.064 -1.585 3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.382 0.181 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.221 -1.016 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.216 -1.104 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.977 0.251 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.684 -1.049 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.350 -2.259 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.693 -2.763 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.629 -2.125 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.007 -4.590 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.096 -3.768 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.570 -4.223 7.561 1.00 0.00 H new ATOM 839 N GLY A 57 -8.622 -3.710 4.645 1.00 0.00 N ATOM 840 CA GLY A 57 -8.330 -5.040 5.151 1.00 0.00 C ATOM 841 C GLY A 57 -6.830 -5.334 5.087 1.00 0.00 C ATOM 842 O GLY A 57 -6.046 -4.488 4.661 1.00 0.00 O ATOM 0 H GLY A 57 -7.802 -3.165 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.677 -5.126 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.875 -5.782 4.568 1.00 0.00 H new ATOM 846 N TRP A 58 -6.476 -6.536 5.518 1.00 0.00 N ATOM 847 CA TRP A 58 -5.084 -6.952 5.515 1.00 0.00 C ATOM 848 C TRP A 58 -4.790 -7.610 4.165 1.00 0.00 C ATOM 849 O TRP A 58 -5.417 -8.605 3.806 1.00 0.00 O ATOM 850 CB TRP A 58 -4.783 -7.866 6.704 1.00 0.00 C ATOM 851 CG TRP A 58 -4.747 -7.143 8.052 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.777 -6.848 8.857 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.576 -6.633 8.724 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.357 -6.188 9.994 1.00 0.00 N ATOM 855 CE2 TRP A 58 -3.976 -6.053 9.910 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.223 -6.662 8.342 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.085 -5.457 10.811 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.346 -6.062 9.253 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.733 -5.474 10.451 1.00 0.00 C ATOM 0 H TRP A 58 -7.129 -7.235 5.872 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.424 -6.093 5.634 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.537 -8.652 6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.822 -8.354 6.540 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.806 -7.096 8.643 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -5.951 -5.860 10.756 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.887 -7.111 7.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.423 -5.009 11.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.294 -6.056 9.007 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.993 -5.032 11.102 1.00 0.00 H new ATOM 870 N PHE A 59 -3.836 -7.027 3.454 1.00 0.00 N ATOM 871 CA PHE A 59 -3.451 -7.544 2.152 1.00 0.00 C ATOM 872 C PHE A 59 -1.930 -7.663 2.037 1.00 0.00 C ATOM 873 O PHE A 59 -1.195 -7.004 2.771 1.00 0.00 O ATOM 874 CB PHE A 59 -3.952 -6.544 1.108 1.00 0.00 C ATOM 875 CG PHE A 59 -3.219 -5.202 1.128 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.948 -5.114 0.651 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.836 -4.097 1.624 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.267 -3.868 0.670 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.155 -2.851 1.643 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.885 -2.763 1.166 1.00 0.00 C ATOM 0 H PHE A 59 -3.318 -6.201 3.755 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.879 -8.536 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.850 -6.987 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.015 -6.368 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.457 -5.992 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.845 -4.167 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.258 -3.798 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.646 -1.973 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.367 -1.815 1.181 1.00 0.00 H new ATOM 890 N PRO A 60 -1.491 -8.531 1.087 1.00 0.00 N ATOM 891 CA PRO A 60 -0.071 -8.745 0.866 1.00 0.00 C ATOM 892 C PRO A 60 0.553 -7.562 0.123 1.00 0.00 C ATOM 893 O PRO A 60 0.026 -7.116 -0.895 1.00 0.00 O ATOM 894 CB PRO A 60 0.014 -10.048 0.087 1.00 0.00 C ATOM 895 CG PRO A 60 -1.370 -10.273 -0.501 1.00 0.00 C ATOM 896 CD PRO A 60 -2.333 -9.329 0.200 1.00 0.00 C ATOM 0 HA PRO A 60 0.494 -8.815 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.767 -9.985 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.301 -10.874 0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.364 -10.084 -1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.681 -11.308 -0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.862 -8.700 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.089 -9.879 0.761 1.00 0.00 H new ATOM 904 N ALA A 61 1.666 -7.087 0.661 1.00 0.00 N ATOM 905 CA ALA A 61 2.368 -5.965 0.062 1.00 0.00 C ATOM 906 C ALA A 61 3.034 -6.421 -1.238 1.00 0.00 C ATOM 907 O ALA A 61 3.455 -5.595 -2.046 1.00 0.00 O ATOM 908 CB ALA A 61 3.374 -5.397 1.065 1.00 0.00 C ATOM 0 H ALA A 61 2.100 -7.459 1.506 1.00 0.00 H new ATOM 0 HA ALA A 61 1.671 -5.165 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.901 -4.555 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.847 -5.060 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.092 -6.170 1.338 1.00 0.00 H new ATOM 914 N SER A 62 3.109 -7.734 -1.398 1.00 0.00 N ATOM 915 CA SER A 62 3.716 -8.309 -2.586 1.00 0.00 C ATOM 916 C SER A 62 2.822 -8.063 -3.803 1.00 0.00 C ATOM 917 O SER A 62 3.249 -8.254 -4.941 1.00 0.00 O ATOM 918 CB SER A 62 3.967 -9.807 -2.406 1.00 0.00 C ATOM 919 OG SER A 62 4.975 -10.067 -1.433 1.00 0.00 O ATOM 0 H SER A 62 2.760 -8.416 -0.725 1.00 0.00 H new ATOM 0 HA SER A 62 4.679 -7.823 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.040 -10.296 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.264 -10.242 -3.360 1.00 0.00 H new ATOM 0 HG SER A 62 5.104 -11.035 -1.346 1.00 0.00 H new ATOM 925 N HIS A 63 1.598 -7.642 -3.522 1.00 0.00 N ATOM 926 CA HIS A 63 0.639 -7.368 -4.580 1.00 0.00 C ATOM 927 C HIS A 63 0.668 -5.878 -4.924 1.00 0.00 C ATOM 928 O HIS A 63 0.092 -5.457 -5.926 1.00 0.00 O ATOM 929 CB HIS A 63 -0.756 -7.860 -4.190 1.00 0.00 C ATOM 930 CG HIS A 63 -1.031 -9.294 -4.575 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.738 -9.641 -5.713 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.687 -10.463 -3.964 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.811 -10.963 -5.773 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.159 -11.471 -4.688 1.00 0.00 N ATOM 0 H HIS A 63 1.248 -7.484 -2.577 1.00 0.00 H new ATOM 0 HA HIS A 63 0.916 -7.919 -5.479 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.879 -7.754 -3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.501 -7.219 -4.661 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.135 -8.990 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.125 -10.554 -3.046 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.301 -11.537 -6.545 1.00 0.00 H new ATOM 942 N VAL A 64 1.343 -5.119 -4.073 1.00 0.00 N ATOM 943 CA VAL A 64 1.454 -3.684 -4.274 1.00 0.00 C ATOM 944 C VAL A 64 2.926 -3.275 -4.196 1.00 0.00 C ATOM 945 O VAL A 64 3.788 -4.099 -3.896 1.00 0.00 O ATOM 946 CB VAL A 64 0.573 -2.945 -3.265 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.771 -3.654 -3.087 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.291 -2.785 -1.924 1.00 0.00 C ATOM 0 H VAL A 64 1.819 -5.471 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 64 1.092 -3.407 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 64 0.375 -1.948 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.378 -3.108 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.292 -3.692 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.602 -4.668 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.643 -2.257 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.533 -3.769 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.209 -2.216 -2.069 1.00 0.00 H new ATOM 958 N LYS A 65 3.168 -2.002 -4.471 1.00 0.00 N ATOM 959 CA LYS A 65 4.521 -1.473 -4.435 1.00 0.00 C ATOM 960 C LYS A 65 4.505 -0.086 -3.790 1.00 0.00 C ATOM 961 O LYS A 65 3.794 0.808 -4.248 1.00 0.00 O ATOM 962 CB LYS A 65 5.142 -1.494 -5.834 1.00 0.00 C ATOM 963 CG LYS A 65 4.613 -0.337 -6.685 1.00 0.00 C ATOM 964 CD LYS A 65 5.187 -0.393 -8.102 1.00 0.00 C ATOM 965 CE LYS A 65 6.245 0.693 -8.309 1.00 0.00 C ATOM 966 NZ LYS A 65 6.949 0.493 -9.595 1.00 0.00 N ATOM 0 H LYS A 65 2.450 -1.321 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 65 5.160 -2.104 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.227 -1.426 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.916 -2.442 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.525 -0.380 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.877 0.612 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.628 -1.374 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.384 -0.267 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.773 1.676 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.962 0.672 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.663 1.239 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.415 -0.437 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.264 0.536 -10.376 1.00 0.00 H new ATOM 980 N LEU A 66 5.298 0.052 -2.737 1.00 0.00 N ATOM 981 CA LEU A 66 5.383 1.315 -2.025 1.00 0.00 C ATOM 982 C LEU A 66 5.806 2.417 -2.998 1.00 0.00 C ATOM 983 O LEU A 66 6.745 2.240 -3.773 1.00 0.00 O ATOM 984 CB LEU A 66 6.303 1.183 -0.809 1.00 0.00 C ATOM 985 CG LEU A 66 5.618 0.842 0.516 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.611 0.904 1.678 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.402 1.740 0.752 1.00 0.00 C ATOM 0 H LEU A 66 5.887 -0.691 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 66 4.407 1.596 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.044 0.412 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.845 2.121 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 66 5.254 -0.184 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.099 0.658 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.416 0.190 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.027 1.909 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.934 1.477 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.720 2.782 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.685 1.602 -0.057 1.00 0.00 H new ATOM 999 N LEU A 67 5.091 3.531 -2.927 1.00 0.00 N ATOM 1000 CA LEU A 67 5.380 4.661 -3.793 1.00 0.00 C ATOM 1001 C LEU A 67 6.297 5.640 -3.057 1.00 0.00 C ATOM 1002 O LEU A 67 6.460 6.783 -3.483 1.00 0.00 O ATOM 1003 CB LEU A 67 4.082 5.295 -4.297 1.00 0.00 C ATOM 1004 CG LEU A 67 3.281 4.471 -5.307 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.271 5.346 -6.051 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.210 3.725 -6.267 1.00 0.00 C ATOM 0 H LEU A 67 4.313 3.675 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 67 5.914 4.332 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.444 5.500 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.323 6.256 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 67 2.713 3.719 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.715 4.735 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.579 5.791 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.798 6.136 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.615 3.147 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.824 4.443 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.854 3.052 -5.701 1.00 0.00 H new