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 13 THR OG1 : rot -54:sc= 0.128 USER MOD Set 1.2: A 14 SER OG : rot 180:sc=-0.00409 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 16 TYR OH : rot 101:sc= 1.21 USER MOD Single : A 23 GLN :FLIP amide:sc= 0.442 F(o=-0.44,f=0.44) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -3.59! C(o=-6.4!,f=-3.6!) 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= -1.38 K(o=-1.4,f=-4.6!) USER MOD Single : A 39 THR OG1 : rot 68:sc= 0.72 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.7) USER MOD Single : A 48 GLN : amide:sc= 0.107 X(o=0.11,f=-0.28) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) 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 HE2:sc= -4.15! C(o=-4.1!,f=-8.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.481 6.594 3.741 1.00 0.00 N ATOM 67 CA GLU A 8 2.211 5.765 2.797 1.00 0.00 C ATOM 68 C GLU A 8 1.252 5.165 1.766 1.00 0.00 C ATOM 69 O GLU A 8 0.362 4.392 2.117 1.00 0.00 O ATOM 70 CB GLU A 8 2.993 4.667 3.521 1.00 0.00 C ATOM 71 CG GLU A 8 4.490 4.983 3.539 1.00 0.00 C ATOM 72 CD GLU A 8 5.322 3.703 3.433 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.938 2.720 4.104 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.322 3.736 2.684 1.00 0.00 O ATOM 0 HA GLU A 8 2.931 6.393 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.626 4.567 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.825 3.710 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.735 5.649 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.743 5.510 4.459 1.00 0.00 H new ATOM 81 N ILE A 9 1.467 5.544 0.515 1.00 0.00 N ATOM 82 CA ILE A 9 0.633 5.053 -0.569 1.00 0.00 C ATOM 83 C ILE A 9 1.343 3.891 -1.267 1.00 0.00 C ATOM 84 O ILE A 9 2.570 3.867 -1.347 1.00 0.00 O ATOM 85 CB ILE A 9 0.252 6.197 -1.512 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.703 7.177 -0.827 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.323 5.658 -2.823 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.076 6.540 -0.605 1.00 0.00 C ATOM 0 H ILE A 9 2.206 6.185 0.228 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.308 4.664 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 9 1.157 6.751 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.284 7.490 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.809 8.074 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.586 6.491 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.420 5.032 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.214 5.067 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.735 7.258 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.502 6.251 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.970 5.657 0.026 1.00 0.00 H new ATOM 100 N ALA A 10 0.540 2.957 -1.755 1.00 0.00 N ATOM 101 CA ALA A 10 1.076 1.795 -2.444 1.00 0.00 C ATOM 102 C ALA A 10 0.281 1.558 -3.729 1.00 0.00 C ATOM 103 O ALA A 10 -0.946 1.643 -3.729 1.00 0.00 O ATOM 104 CB ALA A 10 1.044 0.586 -1.507 1.00 0.00 C ATOM 0 H ALA A 10 -0.477 2.981 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 10 2.116 1.962 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.446 -0.286 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.647 0.794 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.016 0.387 -1.205 1.00 0.00 H new ATOM 110 N GLN A 11 1.013 1.265 -4.794 1.00 0.00 N ATOM 111 CA GLN A 11 0.391 1.014 -6.083 1.00 0.00 C ATOM 112 C GLN A 11 0.293 -0.490 -6.342 1.00 0.00 C ATOM 113 O GLN A 11 1.305 -1.190 -6.346 1.00 0.00 O ATOM 114 CB GLN A 11 1.157 1.716 -7.207 1.00 0.00 C ATOM 115 CG GLN A 11 0.691 1.223 -8.579 1.00 0.00 C ATOM 116 CD GLN A 11 1.027 2.241 -9.670 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.126 2.765 -9.749 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.022 2.491 -10.504 1.00 0.00 N ATOM 0 H GLN A 11 2.031 1.196 -4.791 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.618 1.425 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.010 2.794 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.225 1.532 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.167 0.269 -8.808 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.384 1.046 -8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.873 2.017 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.146 3.157 -11.267 1.00 0.00 H new ATOM 127 N VAL A 12 -0.934 -0.944 -6.553 1.00 0.00 N ATOM 128 CA VAL A 12 -1.177 -2.353 -6.812 1.00 0.00 C ATOM 129 C VAL A 12 -0.509 -2.747 -8.131 1.00 0.00 C ATOM 130 O VAL A 12 -0.680 -2.069 -9.144 1.00 0.00 O ATOM 131 CB VAL A 12 -2.680 -2.637 -6.794 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.965 -4.101 -7.134 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.294 -2.257 -5.445 1.00 0.00 C ATOM 0 H VAL A 12 -1.771 -0.361 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.735 -2.967 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.147 -2.018 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.041 -4.276 -7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.579 -4.325 -8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.479 -4.746 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.363 -2.469 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.820 -2.837 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.137 -1.194 -5.260 1.00 0.00 H new ATOM 143 N THR A 13 0.237 -3.840 -8.077 1.00 0.00 N ATOM 144 CA THR A 13 0.930 -4.332 -9.255 1.00 0.00 C ATOM 145 C THR A 13 0.374 -5.696 -9.671 1.00 0.00 C ATOM 146 O THR A 13 0.573 -6.132 -10.804 1.00 0.00 O ATOM 147 CB THR A 13 2.428 -4.356 -8.946 1.00 0.00 C ATOM 148 OG1 THR A 13 2.596 -5.510 -8.127 1.00 0.00 O ATOM 149 CG2 THR A 13 2.860 -3.196 -8.047 1.00 0.00 C ATOM 0 H THR A 13 0.377 -4.399 -7.235 1.00 0.00 H new ATOM 0 HA THR A 13 0.770 -3.676 -10.111 1.00 0.00 H new ATOM 0 HB THR A 13 2.990 -4.321 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.983 -5.461 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.932 -3.261 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.635 -2.250 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.322 -3.249 -7.101 1.00 0.00 H new ATOM 157 N SER A 14 -0.313 -6.330 -8.732 1.00 0.00 N ATOM 158 CA SER A 14 -0.900 -7.635 -8.987 1.00 0.00 C ATOM 159 C SER A 14 -2.255 -7.745 -8.286 1.00 0.00 C ATOM 160 O SER A 14 -2.377 -7.415 -7.107 1.00 0.00 O ATOM 161 CB SER A 14 0.031 -8.757 -8.524 1.00 0.00 C ATOM 162 OG SER A 14 1.403 -8.381 -8.606 1.00 0.00 O ATOM 0 H SER A 14 -0.476 -5.965 -7.794 1.00 0.00 H new ATOM 0 HA SER A 14 -1.045 -7.741 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.210 -9.027 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.139 -9.644 -9.134 1.00 0.00 H new ATOM 0 HG SER A 14 1.965 -9.124 -8.300 1.00 0.00 H new ATOM 168 N ALA A 15 -3.240 -8.210 -9.040 1.00 0.00 N ATOM 169 CA ALA A 15 -4.582 -8.368 -8.505 1.00 0.00 C ATOM 170 C ALA A 15 -4.568 -9.441 -7.415 1.00 0.00 C ATOM 171 O ALA A 15 -3.832 -10.421 -7.512 1.00 0.00 O ATOM 172 CB ALA A 15 -5.548 -8.705 -9.643 1.00 0.00 C ATOM 0 H ALA A 15 -3.136 -8.483 -10.017 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.926 -7.440 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.555 -8.824 -9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.542 -7.899 -10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.236 -9.633 -10.122 1.00 0.00 H new ATOM 178 N TYR A 16 -5.392 -9.219 -6.401 1.00 0.00 N ATOM 179 CA TYR A 16 -5.484 -10.155 -5.293 1.00 0.00 C ATOM 180 C TYR A 16 -6.941 -10.382 -4.887 1.00 0.00 C ATOM 181 O TYR A 16 -7.794 -9.525 -5.113 1.00 0.00 O ATOM 182 CB TYR A 16 -4.738 -9.502 -4.127 1.00 0.00 C ATOM 183 CG TYR A 16 -4.919 -10.225 -2.790 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.475 -11.523 -2.643 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.526 -9.578 -1.733 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.645 -12.203 -1.385 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.696 -10.259 -0.475 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.247 -11.537 -0.363 1.00 0.00 C ATOM 189 OH TYR A 16 -5.407 -12.180 0.825 1.00 0.00 O ATOM 0 H TYR A 16 -6.002 -8.405 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.063 -11.121 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.675 -9.462 -4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.080 -8.472 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.000 -12.029 -3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.873 -8.562 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.302 -13.219 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.170 -9.765 0.361 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.716 -11.883 1.453 1.00 0.00 H new ATOM 269 N GLN A 23 -9.123 -9.500 5.382 1.00 0.00 N ATOM 270 CA GLN A 23 -8.333 -9.353 4.172 1.00 0.00 C ATOM 271 C GLN A 23 -8.964 -8.307 3.250 1.00 0.00 C ATOM 272 O GLN A 23 -10.175 -8.098 3.280 1.00 0.00 O ATOM 273 CB GLN A 23 -8.176 -10.694 3.453 1.00 0.00 C ATOM 274 CG GLN A 23 -7.039 -11.515 4.066 1.00 0.00 C ATOM 275 CD GLN A 23 -7.553 -12.399 5.204 1.00 0.00 C ATOM 276 OE1 GLN A 23 -6.749 -13.415 5.505 1.00 0.00 O flip ATOM 277 NE2 GLN A 23 -8.610 -12.174 5.771 1.00 0.00 N flip ATOM 0 HA GLN A 23 -7.337 -9.009 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.109 -11.255 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.976 -10.522 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.579 -12.136 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.264 -10.846 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.180 -11.376 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.924 -12.784 6.526 1.00 0.00 H new ATOM 286 N LEU A 24 -8.113 -7.678 2.452 1.00 0.00 N ATOM 287 CA LEU A 24 -8.573 -6.659 1.523 1.00 0.00 C ATOM 288 C LEU A 24 -8.151 -7.042 0.103 1.00 0.00 C ATOM 289 O LEU A 24 -6.985 -7.349 -0.140 1.00 0.00 O ATOM 290 CB LEU A 24 -8.082 -5.277 1.959 1.00 0.00 C ATOM 291 CG LEU A 24 -8.230 -4.157 0.927 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.684 -4.024 0.467 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.677 -2.837 1.467 1.00 0.00 C ATOM 0 H LEU A 24 -7.109 -7.854 2.430 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.661 -6.602 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.624 -4.988 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.030 -5.356 2.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.637 -4.420 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.762 -3.221 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.010 -4.961 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.317 -3.795 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.795 -2.058 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.222 -2.556 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.620 -2.955 1.704 1.00 0.00 H new ATOM 305 N SER A 25 -9.122 -7.011 -0.797 1.00 0.00 N ATOM 306 CA SER A 25 -8.866 -7.352 -2.186 1.00 0.00 C ATOM 307 C SER A 25 -8.095 -6.220 -2.869 1.00 0.00 C ATOM 308 O SER A 25 -8.429 -5.048 -2.701 1.00 0.00 O ATOM 309 CB SER A 25 -10.171 -7.632 -2.934 1.00 0.00 C ATOM 310 OG SER A 25 -11.005 -8.547 -2.229 1.00 0.00 O ATOM 0 H SER A 25 -10.088 -6.755 -0.592 1.00 0.00 H new ATOM 0 HA SER A 25 -8.263 -8.260 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.708 -6.696 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.944 -8.035 -3.921 1.00 0.00 H new ATOM 0 HG SER A 25 -11.828 -8.698 -2.738 1.00 0.00 H new ATOM 316 N LEU A 26 -7.078 -6.610 -3.623 1.00 0.00 N ATOM 317 CA LEU A 26 -6.258 -5.643 -4.331 1.00 0.00 C ATOM 318 C LEU A 26 -6.511 -5.769 -5.835 1.00 0.00 C ATOM 319 O LEU A 26 -6.710 -6.871 -6.344 1.00 0.00 O ATOM 320 CB LEU A 26 -4.787 -5.800 -3.941 1.00 0.00 C ATOM 321 CG LEU A 26 -4.501 -5.940 -2.444 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.083 -6.459 -2.202 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.762 -4.622 -1.711 1.00 0.00 C ATOM 0 H LEU A 26 -6.803 -7.583 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.534 -4.628 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.388 -6.677 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.238 -4.936 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.188 -6.679 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.906 -6.549 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.968 -7.436 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.363 -5.763 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.551 -4.748 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.116 -3.845 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.805 -4.333 -1.842 1.00 0.00 H new ATOM 335 N ALA A 27 -6.497 -4.625 -6.503 1.00 0.00 N ATOM 336 CA ALA A 27 -6.723 -4.593 -7.938 1.00 0.00 C ATOM 337 C ALA A 27 -5.582 -3.830 -8.613 1.00 0.00 C ATOM 338 O ALA A 27 -5.081 -2.847 -8.069 1.00 0.00 O ATOM 339 CB ALA A 27 -8.091 -3.972 -8.226 1.00 0.00 C ATOM 0 H ALA A 27 -6.333 -3.713 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.731 -5.603 -8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.260 -3.948 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.869 -4.568 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.120 -2.956 -7.832 1.00 0.00 H new ATOM 345 N PRO A 28 -5.194 -4.324 -9.820 1.00 0.00 N ATOM 346 CA PRO A 28 -4.122 -3.699 -10.575 1.00 0.00 C ATOM 347 C PRO A 28 -4.594 -2.395 -11.221 1.00 0.00 C ATOM 348 O PRO A 28 -5.423 -2.413 -12.130 1.00 0.00 O ATOM 349 CB PRO A 28 -3.694 -4.745 -11.591 1.00 0.00 C ATOM 350 CG PRO A 28 -4.844 -5.736 -11.677 1.00 0.00 C ATOM 351 CD PRO A 28 -5.765 -5.486 -10.494 1.00 0.00 C ATOM 0 HA PRO A 28 -3.281 -3.406 -9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.497 -4.290 -12.562 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.774 -5.240 -11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.385 -5.612 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.468 -6.759 -11.659 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.786 -5.292 -10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.802 -6.350 -9.831 1.00 0.00 H new ATOM 359 N GLY A 29 -4.046 -1.294 -10.728 1.00 0.00 N ATOM 360 CA GLY A 29 -4.400 0.016 -11.246 1.00 0.00 C ATOM 361 C GLY A 29 -5.231 0.801 -10.229 1.00 0.00 C ATOM 362 O GLY A 29 -6.017 1.670 -10.603 1.00 0.00 O ATOM 0 H GLY A 29 -3.359 -1.283 -9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.494 0.572 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.963 -0.095 -12.173 1.00 0.00 H new ATOM 366 N GLN A 30 -5.029 0.467 -8.963 1.00 0.00 N ATOM 367 CA GLN A 30 -5.749 1.130 -7.890 1.00 0.00 C ATOM 368 C GLN A 30 -4.767 1.725 -6.879 1.00 0.00 C ATOM 369 O GLN A 30 -3.557 1.536 -6.998 1.00 0.00 O ATOM 370 CB GLN A 30 -6.723 0.168 -7.207 1.00 0.00 C ATOM 371 CG GLN A 30 -7.938 -0.106 -8.096 1.00 0.00 C ATOM 372 CD GLN A 30 -9.153 -0.505 -7.256 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.976 -1.613 -6.542 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.183 0.149 -7.256 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.377 -0.255 -8.656 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.334 1.943 -8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.215 -0.769 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.051 0.590 -6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.172 0.783 -8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.704 -0.901 -8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.253 0.991 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.974 -0.146 -6.684 1.00 0.00 H new ATOM 383 N LEU A 31 -5.323 2.433 -5.907 1.00 0.00 N ATOM 384 CA LEU A 31 -4.511 3.056 -4.876 1.00 0.00 C ATOM 385 C LEU A 31 -5.039 2.647 -3.499 1.00 0.00 C ATOM 386 O LEU A 31 -6.240 2.446 -3.326 1.00 0.00 O ATOM 387 CB LEU A 31 -4.450 4.571 -5.085 1.00 0.00 C ATOM 388 CG LEU A 31 -3.639 5.049 -6.291 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.689 6.573 -6.417 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.202 4.526 -6.228 1.00 0.00 C ATOM 0 H LEU A 31 -6.326 2.589 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.481 2.706 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.469 4.945 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.031 5.025 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.093 4.637 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.104 6.886 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.723 6.894 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.275 7.026 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.647 4.880 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.722 4.889 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.211 3.436 -6.223 1.00 0.00 H new ATOM 402 N ILE A 32 -4.115 2.536 -2.556 1.00 0.00 N ATOM 403 CA ILE A 32 -4.473 2.154 -1.200 1.00 0.00 C ATOM 404 C ILE A 32 -3.656 2.985 -0.209 1.00 0.00 C ATOM 405 O ILE A 32 -2.558 3.437 -0.529 1.00 0.00 O ATOM 406 CB ILE A 32 -4.318 0.643 -1.011 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.543 -0.104 -1.540 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.026 0.302 0.452 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.146 -1.460 -2.128 1.00 0.00 C ATOM 0 H ILE A 32 -3.120 2.704 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.524 2.370 -1.007 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.461 0.311 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.261 -0.250 -0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.038 0.496 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.920 -0.777 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.102 0.790 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.848 0.650 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.035 -1.971 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.447 -1.309 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.673 -2.067 -1.356 1.00 0.00 H new ATOM 421 N LEU A 33 -4.224 3.162 0.975 1.00 0.00 N ATOM 422 CA LEU A 33 -3.562 3.931 2.015 1.00 0.00 C ATOM 423 C LEU A 33 -3.093 2.985 3.122 1.00 0.00 C ATOM 424 O LEU A 33 -3.909 2.357 3.795 1.00 0.00 O ATOM 425 CB LEU A 33 -4.473 5.055 2.512 1.00 0.00 C ATOM 426 CG LEU A 33 -3.770 6.267 3.126 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.757 7.137 3.906 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.583 5.833 3.989 1.00 0.00 C ATOM 0 H LEU A 33 -5.135 2.786 1.237 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.674 4.423 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.082 5.398 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.155 4.641 3.255 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.373 6.878 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.231 7.991 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.540 7.490 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.205 6.550 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.101 6.713 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.935 5.188 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.867 5.288 3.375 1.00 0.00 H new ATOM 440 N ILE A 34 -1.779 2.912 3.277 1.00 0.00 N ATOM 441 CA ILE A 34 -1.191 2.053 4.290 1.00 0.00 C ATOM 442 C ILE A 34 -1.516 2.612 5.677 1.00 0.00 C ATOM 443 O ILE A 34 -1.097 3.717 6.018 1.00 0.00 O ATOM 444 CB ILE A 34 0.307 1.872 4.036 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.563 1.343 2.623 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.941 0.979 5.105 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.041 -0.050 2.441 1.00 0.00 C ATOM 0 H ILE A 34 -1.105 3.434 2.717 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.622 1.053 4.239 1.00 0.00 H new ATOM 0 HB ILE A 34 0.786 2.849 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.134 2.028 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.636 1.306 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.006 0.867 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.806 1.434 6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.464 -0.001 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.155 -0.402 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.408 -0.738 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.117 -0.004 2.607 1.00 0.00 H new ATOM 459 N LEU A 35 -2.259 1.823 6.439 1.00 0.00 N ATOM 460 CA LEU A 35 -2.645 2.225 7.781 1.00 0.00 C ATOM 461 C LEU A 35 -1.810 1.448 8.801 1.00 0.00 C ATOM 462 O LEU A 35 -1.305 2.024 9.763 1.00 0.00 O ATOM 463 CB LEU A 35 -4.154 2.068 7.974 1.00 0.00 C ATOM 464 CG LEU A 35 -5.034 2.604 6.843 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.301 1.761 6.687 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.354 4.086 7.051 1.00 0.00 C ATOM 0 H LEU A 35 -2.604 0.907 6.153 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.436 3.283 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.375 1.009 8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.437 2.573 8.898 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.476 2.523 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.908 2.164 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.027 0.731 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.872 1.787 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.981 4.441 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.883 4.215 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.427 4.659 7.073 1.00 0.00 H new ATOM 478 N LYS A 36 -1.691 0.151 8.556 1.00 0.00 N ATOM 479 CA LYS A 36 -0.927 -0.711 9.441 1.00 0.00 C ATOM 480 C LYS A 36 -0.037 -1.633 8.606 1.00 0.00 C ATOM 481 O LYS A 36 -0.288 -1.835 7.418 1.00 0.00 O ATOM 482 CB LYS A 36 -1.858 -1.457 10.399 1.00 0.00 C ATOM 483 CG LYS A 36 -1.276 -1.494 11.813 1.00 0.00 C ATOM 484 CD LYS A 36 -2.317 -1.985 12.822 1.00 0.00 C ATOM 485 CE LYS A 36 -1.849 -3.270 13.509 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.655 -3.531 14.723 1.00 0.00 N ATOM 0 H LYS A 36 -2.111 -0.323 7.757 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.267 -0.117 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.833 -0.971 10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.015 -2.474 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.406 -2.150 11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.932 -0.499 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.497 -1.213 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.265 -2.164 12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.936 -4.110 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.796 -3.184 13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.325 -4.406 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.551 -2.736 15.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.656 -3.634 14.460 1.00 0.00 H new ATOM 500 N LYS A 37 0.984 -2.168 9.258 1.00 0.00 N ATOM 501 CA LYS A 37 1.913 -3.064 8.590 1.00 0.00 C ATOM 502 C LYS A 37 2.089 -4.329 9.432 1.00 0.00 C ATOM 503 O LYS A 37 1.656 -4.379 10.582 1.00 0.00 O ATOM 504 CB LYS A 37 3.226 -2.342 8.282 1.00 0.00 C ATOM 505 CG LYS A 37 3.038 -1.315 7.163 1.00 0.00 C ATOM 506 CD LYS A 37 4.382 -0.934 6.537 1.00 0.00 C ATOM 507 CE LYS A 37 4.486 0.579 6.342 1.00 0.00 C ATOM 508 NZ LYS A 37 5.344 1.179 7.388 1.00 0.00 N ATOM 0 H LYS A 37 1.189 -1.998 10.243 1.00 0.00 H new ATOM 0 HA LYS A 37 1.514 -3.376 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.590 -1.844 9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.985 -3.068 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.379 -1.723 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.552 -0.424 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.195 -1.279 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.496 -1.437 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.898 0.797 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.492 1.025 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.404 2.207 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.935 0.987 8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.297 0.766 7.335 1.00 0.00 H new ATOM 522 N ASN A 38 2.726 -5.321 8.826 1.00 0.00 N ATOM 523 CA ASN A 38 2.964 -6.583 9.505 1.00 0.00 C ATOM 524 C ASN A 38 4.365 -7.088 9.155 1.00 0.00 C ATOM 525 O ASN A 38 4.944 -6.678 8.150 1.00 0.00 O ATOM 526 CB ASN A 38 1.955 -7.645 9.066 1.00 0.00 C ATOM 527 CG ASN A 38 2.162 -8.950 9.836 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.614 -8.968 10.969 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.808 -10.039 9.159 1.00 0.00 N ATOM 0 H ASN A 38 3.084 -5.276 7.872 1.00 0.00 H new ATOM 0 HA ASN A 38 2.864 -6.413 10.577 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.942 -7.279 9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.058 -7.829 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.908 -10.960 9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.436 -9.953 8.213 1.00 0.00 H new ATOM 536 N THR A 39 4.870 -7.973 10.003 1.00 0.00 N ATOM 537 CA THR A 39 6.192 -8.539 9.795 1.00 0.00 C ATOM 538 C THR A 39 6.098 -9.823 8.968 1.00 0.00 C ATOM 539 O THR A 39 6.608 -10.866 9.374 1.00 0.00 O ATOM 540 CB THR A 39 6.838 -8.746 11.166 1.00 0.00 C ATOM 541 OG1 THR A 39 6.104 -9.826 11.737 1.00 0.00 O ATOM 542 CG2 THR A 39 6.579 -7.576 12.118 1.00 0.00 C ATOM 0 H THR A 39 4.387 -8.312 10.835 1.00 0.00 H new ATOM 0 HA THR A 39 6.825 -7.864 9.219 1.00 0.00 H new ATOM 0 HB THR A 39 7.912 -8.884 11.043 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.287 -10.647 11.235 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.059 -7.774 13.076 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.988 -6.661 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.506 -7.459 12.267 1.00 0.00 H new ATOM 550 N SER A 40 5.442 -9.704 7.823 1.00 0.00 N ATOM 551 CA SER A 40 5.275 -10.842 6.935 1.00 0.00 C ATOM 552 C SER A 40 4.997 -10.358 5.510 1.00 0.00 C ATOM 553 O SER A 40 5.532 -10.907 4.548 1.00 0.00 O ATOM 554 CB SER A 40 4.145 -11.755 7.415 1.00 0.00 C ATOM 555 OG SER A 40 4.608 -13.073 7.698 1.00 0.00 O ATOM 0 H SER A 40 5.020 -8.837 7.490 1.00 0.00 H new ATOM 0 HA SER A 40 6.200 -11.419 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.691 -11.330 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.367 -11.800 6.653 1.00 0.00 H new ATOM 0 HG SER A 40 3.858 -13.625 8.003 1.00 0.00 H new ATOM 561 N GLY A 41 4.160 -9.335 5.420 1.00 0.00 N ATOM 562 CA GLY A 41 3.804 -8.771 4.129 1.00 0.00 C ATOM 563 C GLY A 41 2.355 -8.277 4.128 1.00 0.00 C ATOM 564 O GLY A 41 1.964 -7.495 3.263 1.00 0.00 O ATOM 0 H GLY A 41 3.718 -8.882 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.474 -7.945 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.937 -9.522 3.351 1.00 0.00 H new ATOM 568 N TRP A 42 1.600 -8.754 5.106 1.00 0.00 N ATOM 569 CA TRP A 42 0.204 -8.371 5.228 1.00 0.00 C ATOM 570 C TRP A 42 0.152 -6.933 5.749 1.00 0.00 C ATOM 571 O TRP A 42 0.581 -6.659 6.869 1.00 0.00 O ATOM 572 CB TRP A 42 -0.560 -9.356 6.116 1.00 0.00 C ATOM 573 CG TRP A 42 -0.680 -10.762 5.524 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.105 -11.823 5.752 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.682 -11.219 4.591 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.315 -12.926 5.038 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.436 -12.547 4.309 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.760 -10.533 4.004 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.225 -13.304 3.434 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.538 -11.303 3.132 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.304 -12.641 2.838 1.00 0.00 C ATOM 0 H TRP A 42 1.929 -9.402 5.822 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.292 -8.409 4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.060 -9.421 7.083 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.560 -8.964 6.300 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.960 -11.816 6.412 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.118 -13.850 5.044 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.971 -9.494 4.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.012 -14.343 3.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.379 -10.824 2.654 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.952 -13.167 2.153 1.00 0.00 H new ATOM 592 N TRP A 43 -0.377 -6.053 4.912 1.00 0.00 N ATOM 593 CA TRP A 43 -0.491 -4.650 5.274 1.00 0.00 C ATOM 594 C TRP A 43 -1.977 -4.321 5.429 1.00 0.00 C ATOM 595 O TRP A 43 -2.813 -4.851 4.699 1.00 0.00 O ATOM 596 CB TRP A 43 0.215 -3.761 4.249 1.00 0.00 C ATOM 597 CG TRP A 43 1.741 -3.780 4.355 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.499 -4.434 5.246 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.671 -3.083 3.498 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.843 -4.211 5.027 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.951 -3.364 3.931 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.439 -2.243 2.395 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.099 -2.845 3.319 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.596 -1.733 1.794 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.891 -2.006 2.217 1.00 0.00 C ATOM 0 H TRP A 43 -0.732 -6.284 3.984 1.00 0.00 H new ATOM 0 HA TRP A 43 0.009 -4.454 6.222 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.073 -4.080 3.247 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.135 -2.736 4.370 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.107 -5.057 6.036 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.615 -4.597 5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.446 -2.009 2.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.091 -3.079 3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.473 -1.081 0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.734 -1.573 1.698 1.00 0.00 H new ATOM 616 N GLN A 44 -2.260 -3.447 6.383 1.00 0.00 N ATOM 617 CA GLN A 44 -3.631 -3.040 6.643 1.00 0.00 C ATOM 618 C GLN A 44 -3.840 -1.583 6.225 1.00 0.00 C ATOM 619 O GLN A 44 -3.511 -0.665 6.975 1.00 0.00 O ATOM 620 CB GLN A 44 -3.994 -3.246 8.114 1.00 0.00 C ATOM 621 CG GLN A 44 -5.511 -3.222 8.313 1.00 0.00 C ATOM 622 CD GLN A 44 -5.870 -3.240 9.800 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.091 -2.857 10.658 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.089 -3.706 10.057 1.00 0.00 N ATOM 0 H GLN A 44 -1.563 -3.009 6.986 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.295 -3.667 6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.593 -4.198 8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.532 -2.466 8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.928 -2.330 7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.960 -4.082 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.691 -4.010 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.422 -3.759 11.020 1.00 0.00 H new ATOM 633 N GLY A 45 -4.387 -1.416 5.030 1.00 0.00 N ATOM 634 CA GLY A 45 -4.645 -0.087 4.504 1.00 0.00 C ATOM 635 C GLY A 45 -6.086 0.036 4.005 1.00 0.00 C ATOM 636 O GLY A 45 -6.892 -0.873 4.195 1.00 0.00 O ATOM 0 H GLY A 45 -4.659 -2.180 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.460 0.657 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.955 0.125 3.688 1.00 0.00 H new ATOM 640 N GLU A 46 -6.366 1.168 3.376 1.00 0.00 N ATOM 641 CA GLU A 46 -7.696 1.421 2.848 1.00 0.00 C ATOM 642 C GLU A 46 -7.624 1.722 1.349 1.00 0.00 C ATOM 643 O GLU A 46 -6.765 2.482 0.906 1.00 0.00 O ATOM 644 CB GLU A 46 -8.378 2.563 3.604 1.00 0.00 C ATOM 645 CG GLU A 46 -9.895 2.521 3.410 1.00 0.00 C ATOM 646 CD GLU A 46 -10.546 3.819 3.890 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.193 4.875 3.321 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.381 3.727 4.816 1.00 0.00 O ATOM 0 H GLU A 46 -5.695 1.920 3.220 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.299 0.524 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.142 2.493 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.989 3.519 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.126 2.362 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.312 1.676 3.959 1.00 0.00 H new ATOM 655 N LEU A 47 -8.538 1.109 0.611 1.00 0.00 N ATOM 656 CA LEU A 47 -8.589 1.302 -0.829 1.00 0.00 C ATOM 657 C LEU A 47 -9.016 2.740 -1.132 1.00 0.00 C ATOM 658 O LEU A 47 -10.153 3.123 -0.860 1.00 0.00 O ATOM 659 CB LEU A 47 -9.482 0.245 -1.479 1.00 0.00 C ATOM 660 CG LEU A 47 -8.919 -0.431 -2.731 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.584 -1.789 -2.967 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.039 0.485 -3.950 1.00 0.00 C ATOM 0 H LEU A 47 -9.249 0.479 0.983 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.601 1.164 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.696 -0.526 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.433 0.711 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.857 -0.616 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.166 -2.248 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.403 -2.437 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.657 -1.651 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.632 -0.020 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.088 0.724 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.483 1.405 -3.770 1.00 0.00 H new ATOM 674 N GLN A 48 -8.082 3.496 -1.690 1.00 0.00 N ATOM 675 CA GLN A 48 -8.348 4.882 -2.033 1.00 0.00 C ATOM 676 C GLN A 48 -8.877 4.983 -3.465 1.00 0.00 C ATOM 677 O GLN A 48 -8.653 5.984 -4.144 1.00 0.00 O ATOM 678 CB GLN A 48 -7.096 5.742 -1.849 1.00 0.00 C ATOM 679 CG GLN A 48 -6.614 5.707 -0.397 1.00 0.00 C ATOM 680 CD GLN A 48 -7.712 6.184 0.556 1.00 0.00 C ATOM 681 OE1 GLN A 48 -8.199 7.300 0.474 1.00 0.00 O ATOM 682 NE2 GLN A 48 -8.072 5.280 1.463 1.00 0.00 N ATOM 0 H GLN A 48 -7.140 3.175 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.113 5.263 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.305 5.384 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.311 6.770 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.314 4.693 -0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.732 6.339 -0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.624 4.364 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.797 5.503 2.145 1.00 0.00 H new ATOM 800 N GLN A 55 -12.953 0.453 1.180 1.00 0.00 N ATOM 801 CA GLN A 55 -12.344 -0.848 1.400 1.00 0.00 C ATOM 802 C GLN A 55 -11.216 -0.740 2.427 1.00 0.00 C ATOM 803 O GLN A 55 -10.396 0.175 2.360 1.00 0.00 O ATOM 804 CB GLN A 55 -11.834 -1.444 0.086 1.00 0.00 C ATOM 805 CG GLN A 55 -12.814 -2.484 -0.461 1.00 0.00 C ATOM 806 CD GLN A 55 -13.801 -1.845 -1.441 1.00 0.00 C ATOM 807 OE1 GLN A 55 -14.768 -1.206 -1.060 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.504 -2.053 -2.720 1.00 0.00 N ATOM 0 HA GLN A 55 -13.105 -1.521 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.694 -0.650 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.860 -1.906 0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.263 -3.280 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.360 -2.943 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.679 -2.598 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.102 -1.668 -3.451 1.00 0.00 H new ATOM 817 N LYS A 56 -11.210 -1.687 3.354 1.00 0.00 N ATOM 818 CA LYS A 56 -10.195 -1.709 4.394 1.00 0.00 C ATOM 819 C LYS A 56 -10.008 -3.145 4.888 1.00 0.00 C ATOM 820 O LYS A 56 -10.974 -3.805 5.268 1.00 0.00 O ATOM 821 CB LYS A 56 -10.546 -0.718 5.506 1.00 0.00 C ATOM 822 CG LYS A 56 -9.302 -0.336 6.312 1.00 0.00 C ATOM 823 CD LYS A 56 -9.093 -1.296 7.485 1.00 0.00 C ATOM 824 CE LYS A 56 -9.662 -0.712 8.779 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.826 -1.503 9.237 1.00 0.00 N ATOM 0 H LYS A 56 -11.891 -2.444 3.407 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.235 -1.380 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.992 0.177 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.292 -1.158 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.426 -0.351 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.405 0.683 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.575 -2.250 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.029 -1.497 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.893 -0.706 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.960 0.324 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.200 -1.093 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.566 -1.488 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.532 -2.485 9.411 1.00 0.00 H new ATOM 839 N GLY A 57 -8.759 -3.587 4.865 1.00 0.00 N ATOM 840 CA GLY A 57 -8.434 -4.933 5.306 1.00 0.00 C ATOM 841 C GLY A 57 -6.929 -5.193 5.207 1.00 0.00 C ATOM 842 O GLY A 57 -6.149 -4.269 4.980 1.00 0.00 O ATOM 0 H GLY A 57 -7.960 -3.037 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.764 -5.072 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.973 -5.659 4.698 1.00 0.00 H new ATOM 846 N TRP A 58 -6.567 -6.455 5.382 1.00 0.00 N ATOM 847 CA TRP A 58 -5.169 -6.848 5.315 1.00 0.00 C ATOM 848 C TRP A 58 -4.904 -7.417 3.920 1.00 0.00 C ATOM 849 O TRP A 58 -5.766 -8.075 3.340 1.00 0.00 O ATOM 850 CB TRP A 58 -4.822 -7.830 6.436 1.00 0.00 C ATOM 851 CG TRP A 58 -4.778 -7.195 7.828 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.791 -7.026 8.689 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.617 -6.649 8.488 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.369 -6.412 9.852 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.005 -6.176 9.725 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.283 -6.557 8.054 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.119 -5.579 10.630 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.410 -5.958 8.969 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.784 -5.477 10.219 1.00 0.00 C ATOM 0 H TRP A 58 -7.217 -7.219 5.570 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.519 -5.987 5.469 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.555 -8.636 6.439 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.853 -8.281 6.223 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.809 -7.331 8.498 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -5.951 -6.175 10.656 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.958 -6.920 7.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.447 -5.217 11.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.373 -5.863 8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.049 -5.027 10.870 1.00 0.00 H new ATOM 870 N PHE A 59 -3.708 -7.141 3.421 1.00 0.00 N ATOM 871 CA PHE A 59 -3.319 -7.617 2.104 1.00 0.00 C ATOM 872 C PHE A 59 -1.797 -7.723 1.988 1.00 0.00 C ATOM 873 O PHE A 59 -1.066 -7.060 2.722 1.00 0.00 O ATOM 874 CB PHE A 59 -3.825 -6.590 1.090 1.00 0.00 C ATOM 875 CG PHE A 59 -3.086 -5.252 1.137 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.797 -5.171 0.709 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.717 -4.142 1.606 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.111 -3.929 0.752 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.030 -2.900 1.650 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.742 -2.820 1.222 1.00 0.00 C ATOM 0 H PHE A 59 -2.996 -6.594 3.905 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.741 -8.606 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.733 -7.009 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.886 -6.414 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.296 -6.052 0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.740 -4.205 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.088 -3.865 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.531 -2.019 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.220 -1.875 1.255 1.00 0.00 H new ATOM 890 N PRO A 60 -1.352 -8.585 1.035 1.00 0.00 N ATOM 891 CA PRO A 60 0.069 -8.787 0.812 1.00 0.00 C ATOM 892 C PRO A 60 0.683 -7.597 0.072 1.00 0.00 C ATOM 893 O PRO A 60 0.135 -7.135 -0.928 1.00 0.00 O ATOM 894 CB PRO A 60 0.165 -10.087 0.030 1.00 0.00 C ATOM 895 CG PRO A 60 -1.217 -10.322 -0.557 1.00 0.00 C ATOM 896 CD PRO A 60 -2.188 -9.388 0.146 1.00 0.00 C ATOM 0 HA PRO A 60 0.634 -8.855 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.916 -10.015 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.460 -10.912 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.213 -10.131 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.519 -11.360 -0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.722 -8.761 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.939 -9.946 0.705 1.00 0.00 H new ATOM 904 N ALA A 61 1.811 -7.136 0.591 1.00 0.00 N ATOM 905 CA ALA A 61 2.505 -6.009 -0.009 1.00 0.00 C ATOM 906 C ALA A 61 3.143 -6.452 -1.327 1.00 0.00 C ATOM 907 O ALA A 61 3.493 -5.619 -2.162 1.00 0.00 O ATOM 908 CB ALA A 61 3.534 -5.458 0.980 1.00 0.00 C ATOM 0 H ALA A 61 2.262 -7.522 1.420 1.00 0.00 H new ATOM 0 HA ALA A 61 1.806 -5.204 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.055 -4.613 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.027 -5.131 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.254 -6.238 1.228 1.00 0.00 H new ATOM 914 N SER A 62 3.276 -7.762 -1.474 1.00 0.00 N ATOM 915 CA SER A 62 3.866 -8.325 -2.676 1.00 0.00 C ATOM 916 C SER A 62 2.946 -8.081 -3.874 1.00 0.00 C ATOM 917 O SER A 62 3.343 -8.289 -5.019 1.00 0.00 O ATOM 918 CB SER A 62 4.134 -9.822 -2.509 1.00 0.00 C ATOM 919 OG SER A 62 5.106 -10.081 -1.500 1.00 0.00 O ATOM 0 H SER A 62 2.985 -8.450 -0.780 1.00 0.00 H new ATOM 0 HA SER A 62 4.821 -7.830 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.204 -10.331 -2.255 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.476 -10.237 -3.457 1.00 0.00 H new ATOM 0 HG SER A 62 5.248 -11.048 -1.423 1.00 0.00 H new ATOM 925 N HIS A 63 1.733 -7.643 -3.569 1.00 0.00 N ATOM 926 CA HIS A 63 0.753 -7.368 -4.606 1.00 0.00 C ATOM 927 C HIS A 63 0.781 -5.879 -4.957 1.00 0.00 C ATOM 928 O HIS A 63 0.291 -5.477 -6.011 1.00 0.00 O ATOM 929 CB HIS A 63 -0.635 -7.852 -4.183 1.00 0.00 C ATOM 930 CG HIS A 63 -0.922 -9.289 -4.547 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.691 -9.646 -5.641 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.534 -10.454 -3.952 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.758 -10.969 -5.692 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.040 -11.467 -4.644 1.00 0.00 N ATOM 0 H HIS A 63 1.407 -7.472 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 63 1.008 -7.923 -5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.736 -7.734 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.388 -7.214 -4.646 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.131 -9.001 -6.297 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.081 -10.538 -3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.288 -11.550 -6.432 1.00 0.00 H new ATOM 942 N VAL A 64 1.359 -5.102 -4.053 1.00 0.00 N ATOM 943 CA VAL A 64 1.457 -3.666 -4.254 1.00 0.00 C ATOM 944 C VAL A 64 2.930 -3.252 -4.233 1.00 0.00 C ATOM 945 O VAL A 64 3.806 -4.075 -3.972 1.00 0.00 O ATOM 946 CB VAL A 64 0.616 -2.933 -3.208 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.709 -3.658 -2.964 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.394 -2.758 -1.902 1.00 0.00 C ATOM 0 H VAL A 64 1.764 -5.439 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 64 1.055 -3.388 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 64 0.388 -1.941 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.288 -3.116 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.274 -3.707 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.510 -4.669 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.773 -2.234 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.667 -3.737 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.298 -2.179 -2.092 1.00 0.00 H new ATOM 958 N LYS A 65 3.157 -1.977 -4.513 1.00 0.00 N ATOM 959 CA LYS A 65 4.509 -1.444 -4.530 1.00 0.00 C ATOM 960 C LYS A 65 4.518 -0.068 -3.862 1.00 0.00 C ATOM 961 O LYS A 65 3.747 0.814 -4.237 1.00 0.00 O ATOM 962 CB LYS A 65 5.065 -1.439 -5.956 1.00 0.00 C ATOM 963 CG LYS A 65 4.429 -0.324 -6.789 1.00 0.00 C ATOM 964 CD LYS A 65 4.983 -0.321 -8.215 1.00 0.00 C ATOM 965 CE LYS A 65 5.453 1.078 -8.618 1.00 0.00 C ATOM 966 NZ LYS A 65 6.735 1.002 -9.354 1.00 0.00 N ATOM 0 H LYS A 65 2.428 -1.298 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 65 5.178 -2.083 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.146 -1.305 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.875 -2.403 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.347 -0.457 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.620 0.641 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.814 -1.023 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.215 -0.664 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.697 1.557 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.573 1.698 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.040 1.960 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.458 0.565 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.609 0.428 -10.212 1.00 0.00 H new ATOM 980 N LEU A 66 5.400 0.073 -2.883 1.00 0.00 N ATOM 981 CA LEU A 66 5.520 1.327 -2.159 1.00 0.00 C ATOM 982 C LEU A 66 5.976 2.425 -3.121 1.00 0.00 C ATOM 983 O LEU A 66 6.910 2.228 -3.897 1.00 0.00 O ATOM 984 CB LEU A 66 6.432 1.158 -0.942 1.00 0.00 C ATOM 985 CG LEU A 66 5.734 0.833 0.380 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.730 0.834 1.541 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.563 1.786 0.630 1.00 0.00 C ATOM 0 H LEU A 66 6.038 -0.660 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 66 4.551 1.632 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.148 0.364 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.004 2.076 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 66 5.322 -0.174 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.208 0.600 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.501 0.085 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.192 1.818 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.084 1.533 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.931 2.811 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.839 1.693 -0.179 1.00 0.00 H new ATOM 999 N LEU A 67 5.295 3.559 -3.040 1.00 0.00 N ATOM 1000 CA LEU A 67 5.618 4.689 -3.894 1.00 0.00 C ATOM 1001 C LEU A 67 6.588 5.617 -3.160 1.00 0.00 C ATOM 1002 O LEU A 67 6.767 6.769 -3.552 1.00 0.00 O ATOM 1003 CB LEU A 67 4.341 5.385 -4.368 1.00 0.00 C ATOM 1004 CG LEU A 67 3.431 4.565 -5.285 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.377 5.453 -5.949 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.250 3.781 -6.312 1.00 0.00 C ATOM 0 H LEU A 67 4.521 3.719 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 67 6.123 4.350 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.766 5.683 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.622 6.299 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 67 2.899 3.836 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.744 4.845 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.764 5.926 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.871 6.221 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.579 3.207 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.828 4.475 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.928 3.102 -5.795 1.00 0.00 H new