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 44 GLN : amide:sc= 0 K(o=-0.044,f=-1.3) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 151:sc= -0.0439 (180deg=0) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.906! C(o=-0.84!,f=-8!) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.0706 USER MOD Set 3.1: A 16 TYR OH : rot -110:sc= 0.144 USER MOD Set 3.2: A 23 GLN : amide:sc= 0.379 X(o=0.52,f=0.29) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc=-0.00634 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= -0.0683 USER MOD Single : A 11 GLN : amide:sc= -0.328 K(o=-0.33,f=-4.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -8.51! C(o=-8.5!,f=-5.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.19) USER MOD Single : A 55 GLN : amide:sc= -0.165 X(o=-0.16,f=0.0097) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.53! C(o=-4.5!,f=-9.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.178 6.600 3.808 1.00 0.00 N ATOM 67 CA GLU A 8 1.957 5.827 2.855 1.00 0.00 C ATOM 68 C GLU A 8 1.037 5.182 1.816 1.00 0.00 C ATOM 69 O GLU A 8 0.240 4.305 2.147 1.00 0.00 O ATOM 70 CB GLU A 8 2.804 4.771 3.568 1.00 0.00 C ATOM 71 CG GLU A 8 4.290 5.129 3.510 1.00 0.00 C ATOM 72 CD GLU A 8 5.159 3.928 3.890 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.679 2.793 3.682 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.283 4.173 4.379 1.00 0.00 O ATOM 0 HA GLU A 8 2.638 6.504 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.487 4.687 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.643 3.797 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.548 5.466 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.494 5.959 4.187 1.00 0.00 H new ATOM 81 N ILE A 9 1.178 5.642 0.582 1.00 0.00 N ATOM 82 CA ILE A 9 0.370 5.121 -0.508 1.00 0.00 C ATOM 83 C ILE A 9 1.132 3.994 -1.209 1.00 0.00 C ATOM 84 O ILE A 9 2.361 4.006 -1.254 1.00 0.00 O ATOM 85 CB ILE A 9 -0.057 6.251 -1.446 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.045 7.194 -0.755 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.617 5.694 -2.756 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.431 6.554 -0.650 1.00 0.00 C ATOM 0 H ILE A 9 1.840 6.370 0.312 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.555 4.690 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 9 0.826 6.838 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.679 7.444 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.113 8.128 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.913 6.518 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.147 5.097 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.485 5.069 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.114 7.244 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.804 6.328 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.364 5.633 -0.071 1.00 0.00 H new ATOM 100 N ALA A 10 0.370 3.048 -1.737 1.00 0.00 N ATOM 101 CA ALA A 10 0.958 1.916 -2.434 1.00 0.00 C ATOM 102 C ALA A 10 0.196 1.675 -3.739 1.00 0.00 C ATOM 103 O ALA A 10 -1.030 1.767 -3.773 1.00 0.00 O ATOM 104 CB ALA A 10 0.947 0.691 -1.518 1.00 0.00 C ATOM 0 H ALA A 10 -0.649 3.042 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 10 1.997 2.121 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.388 -0.158 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.525 0.904 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.080 0.453 -1.241 1.00 0.00 H new ATOM 110 N GLN A 11 0.955 1.370 -4.782 1.00 0.00 N ATOM 111 CA GLN A 11 0.367 1.114 -6.085 1.00 0.00 C ATOM 112 C GLN A 11 0.293 -0.391 -6.348 1.00 0.00 C ATOM 113 O GLN A 11 1.316 -1.073 -6.365 1.00 0.00 O ATOM 114 CB GLN A 11 1.152 1.825 -7.190 1.00 0.00 C ATOM 115 CG GLN A 11 0.474 1.642 -8.549 1.00 0.00 C ATOM 116 CD GLN A 11 0.374 2.974 -9.296 1.00 0.00 C ATOM 117 OE1 GLN A 11 0.874 3.998 -8.861 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.299 2.903 -10.441 1.00 0.00 N ATOM 0 H GLN A 11 1.972 1.295 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.647 1.514 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.231 2.887 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.168 1.431 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.038 0.927 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.523 1.224 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.692 2.013 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.422 3.739 -11.013 1.00 0.00 H new ATOM 127 N VAL A 12 -0.928 -0.865 -6.547 1.00 0.00 N ATOM 128 CA VAL A 12 -1.150 -2.277 -6.808 1.00 0.00 C ATOM 129 C VAL A 12 -0.383 -2.685 -8.069 1.00 0.00 C ATOM 130 O VAL A 12 -0.475 -2.018 -9.098 1.00 0.00 O ATOM 131 CB VAL A 12 -2.650 -2.563 -6.902 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.907 -4.028 -7.261 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.363 -2.184 -5.603 1.00 0.00 C ATOM 0 H VAL A 12 -1.774 -0.296 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.769 -2.882 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.059 -1.945 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.981 -4.205 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.447 -4.253 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.476 -4.672 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.428 -2.397 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.948 -2.763 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.222 -1.121 -5.407 1.00 0.00 H new ATOM 143 N THR A 13 0.355 -3.778 -7.946 1.00 0.00 N ATOM 144 CA THR A 13 1.137 -4.282 -9.062 1.00 0.00 C ATOM 145 C THR A 13 0.596 -5.637 -9.523 1.00 0.00 C ATOM 146 O THR A 13 0.901 -6.088 -10.626 1.00 0.00 O ATOM 147 CB THR A 13 2.604 -4.328 -8.630 1.00 0.00 C ATOM 148 OG1 THR A 13 2.608 -5.210 -7.510 1.00 0.00 O ATOM 149 CG2 THR A 13 3.088 -2.995 -8.055 1.00 0.00 C ATOM 0 H THR A 13 0.428 -4.329 -7.091 1.00 0.00 H new ATOM 0 HA THR A 13 1.060 -3.625 -9.928 1.00 0.00 H new ATOM 0 HB THR A 13 3.225 -4.602 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.522 -5.299 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.135 -3.083 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.985 -2.215 -8.809 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.489 -2.737 -7.181 1.00 0.00 H new ATOM 157 N SER A 14 -0.197 -6.247 -8.655 1.00 0.00 N ATOM 158 CA SER A 14 -0.783 -7.542 -8.960 1.00 0.00 C ATOM 159 C SER A 14 -2.152 -7.667 -8.287 1.00 0.00 C ATOM 160 O SER A 14 -2.286 -7.410 -7.092 1.00 0.00 O ATOM 161 CB SER A 14 0.135 -8.681 -8.512 1.00 0.00 C ATOM 162 OG SER A 14 1.502 -8.281 -8.473 1.00 0.00 O ATOM 0 H SER A 14 -0.448 -5.869 -7.741 1.00 0.00 H new ATOM 0 HA SER A 14 -0.908 -7.616 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.170 -9.025 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.024 -9.525 -9.192 1.00 0.00 H new ATOM 0 HG SER A 14 2.055 -9.035 -8.181 1.00 0.00 H new ATOM 168 N ALA A 15 -3.133 -8.064 -9.085 1.00 0.00 N ATOM 169 CA ALA A 15 -4.486 -8.227 -8.582 1.00 0.00 C ATOM 170 C ALA A 15 -4.497 -9.309 -7.501 1.00 0.00 C ATOM 171 O ALA A 15 -3.732 -10.270 -7.571 1.00 0.00 O ATOM 172 CB ALA A 15 -5.427 -8.554 -9.744 1.00 0.00 C ATOM 0 H ALA A 15 -3.017 -8.277 -10.076 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.840 -7.302 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.442 -8.676 -9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.405 -7.741 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.105 -9.478 -10.224 1.00 0.00 H new ATOM 178 N TYR A 16 -5.373 -9.118 -6.526 1.00 0.00 N ATOM 179 CA TYR A 16 -5.494 -10.066 -5.431 1.00 0.00 C ATOM 180 C TYR A 16 -6.962 -10.309 -5.075 1.00 0.00 C ATOM 181 O TYR A 16 -7.813 -9.456 -5.321 1.00 0.00 O ATOM 182 CB TYR A 16 -4.792 -9.421 -4.235 1.00 0.00 C ATOM 183 CG TYR A 16 -5.048 -10.132 -2.905 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.536 -11.395 -2.688 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.792 -9.511 -1.922 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.777 -12.065 -1.436 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.033 -10.181 -0.670 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.514 -11.424 -0.489 1.00 0.00 C ATOM 189 OH TYR A 16 -5.741 -12.057 0.693 1.00 0.00 O ATOM 0 H TYR A 16 -6.006 -8.320 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.056 -11.026 -5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.719 -9.402 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.119 -8.385 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.954 -11.881 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.193 -8.523 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.382 -13.053 -1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.613 -9.706 0.108 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.684 -12.316 0.749 1.00 0.00 H new ATOM 269 N GLN A 23 -9.380 -9.486 5.191 1.00 0.00 N ATOM 270 CA GLN A 23 -8.534 -9.316 4.022 1.00 0.00 C ATOM 271 C GLN A 23 -9.117 -8.248 3.094 1.00 0.00 C ATOM 272 O GLN A 23 -10.327 -8.024 3.084 1.00 0.00 O ATOM 273 CB GLN A 23 -8.348 -10.643 3.282 1.00 0.00 C ATOM 274 CG GLN A 23 -7.318 -11.526 3.990 1.00 0.00 C ATOM 275 CD GLN A 23 -7.419 -12.976 3.512 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.415 -13.268 2.328 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.509 -13.865 4.497 1.00 0.00 N ATOM 0 HA GLN A 23 -7.551 -8.982 4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.302 -11.167 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.025 -10.451 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.315 -11.145 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.476 -11.483 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.507 -13.552 5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.580 -14.859 4.282 1.00 0.00 H new ATOM 286 N LEU A 24 -8.230 -7.618 2.339 1.00 0.00 N ATOM 287 CA LEU A 24 -8.642 -6.579 1.410 1.00 0.00 C ATOM 288 C LEU A 24 -8.202 -6.962 -0.005 1.00 0.00 C ATOM 289 O LEU A 24 -7.043 -7.310 -0.225 1.00 0.00 O ATOM 290 CB LEU A 24 -8.122 -5.215 1.868 1.00 0.00 C ATOM 291 CG LEU A 24 -8.218 -4.082 0.843 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.662 -3.883 0.380 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.609 -2.792 1.394 1.00 0.00 C ATOM 0 H LEU A 24 -7.228 -7.807 2.351 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.728 -6.491 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.674 -4.919 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.078 -5.326 2.161 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.635 -4.364 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.702 -3.072 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.027 -4.802 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.288 -3.633 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.690 -2.003 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.144 -2.494 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.559 -2.959 1.633 1.00 0.00 H new ATOM 305 N SER A 25 -9.151 -6.884 -0.926 1.00 0.00 N ATOM 306 CA SER A 25 -8.876 -7.218 -2.313 1.00 0.00 C ATOM 307 C SER A 25 -8.066 -6.099 -2.970 1.00 0.00 C ATOM 308 O SER A 25 -8.348 -4.920 -2.764 1.00 0.00 O ATOM 309 CB SER A 25 -10.173 -7.460 -3.089 1.00 0.00 C ATOM 310 OG SER A 25 -10.749 -6.244 -3.559 1.00 0.00 O ATOM 0 H SER A 25 -10.111 -6.594 -0.739 1.00 0.00 H new ATOM 0 HA SER A 25 -8.294 -8.140 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.972 -8.117 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.888 -7.976 -2.448 1.00 0.00 H new ATOM 0 HG SER A 25 -11.574 -6.441 -4.050 1.00 0.00 H new ATOM 316 N LEU A 26 -7.074 -6.508 -3.748 1.00 0.00 N ATOM 317 CA LEU A 26 -6.221 -5.555 -4.436 1.00 0.00 C ATOM 318 C LEU A 26 -6.455 -5.663 -5.944 1.00 0.00 C ATOM 319 O LEU A 26 -6.619 -6.762 -6.473 1.00 0.00 O ATOM 320 CB LEU A 26 -4.760 -5.749 -4.025 1.00 0.00 C ATOM 321 CG LEU A 26 -4.508 -5.982 -2.534 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.054 -6.384 -2.280 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.917 -4.759 -1.711 1.00 0.00 C ATOM 0 H LEU A 26 -6.842 -7.487 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.477 -4.536 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.357 -6.597 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.196 -4.869 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.133 -6.813 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.902 -6.544 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.831 -7.304 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.391 -5.591 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.728 -4.951 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.337 -3.894 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.978 -4.559 -1.859 1.00 0.00 H new ATOM 335 N ALA A 27 -6.463 -4.508 -6.594 1.00 0.00 N ATOM 336 CA ALA A 27 -6.675 -4.460 -8.031 1.00 0.00 C ATOM 337 C ALA A 27 -5.539 -3.669 -8.683 1.00 0.00 C ATOM 338 O ALA A 27 -5.068 -2.678 -8.126 1.00 0.00 O ATOM 339 CB ALA A 27 -8.049 -3.856 -8.325 1.00 0.00 C ATOM 0 H ALA A 27 -6.326 -3.599 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.663 -5.464 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.208 -3.820 -9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.823 -4.470 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.097 -2.846 -7.917 1.00 0.00 H new ATOM 345 N PRO A 28 -5.121 -4.148 -9.885 1.00 0.00 N ATOM 346 CA PRO A 28 -4.049 -3.497 -10.618 1.00 0.00 C ATOM 347 C PRO A 28 -4.538 -2.200 -11.267 1.00 0.00 C ATOM 348 O PRO A 28 -5.369 -2.229 -12.173 1.00 0.00 O ATOM 349 CB PRO A 28 -3.583 -4.528 -11.633 1.00 0.00 C ATOM 350 CG PRO A 28 -4.709 -5.543 -11.743 1.00 0.00 C ATOM 351 CD PRO A 28 -5.655 -5.319 -10.575 1.00 0.00 C ATOM 0 HA PRO A 28 -3.225 -3.191 -9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.381 -4.063 -12.598 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.658 -5.005 -11.309 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.237 -5.426 -12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.311 -6.558 -11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.675 -5.145 -10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.684 -6.187 -9.917 1.00 0.00 H new ATOM 359 N GLY A 29 -4.001 -1.092 -10.776 1.00 0.00 N ATOM 360 CA GLY A 29 -4.372 0.213 -11.297 1.00 0.00 C ATOM 361 C GLY A 29 -5.170 1.009 -10.262 1.00 0.00 C ATOM 362 O GLY A 29 -5.883 1.948 -10.611 1.00 0.00 O ATOM 0 H GLY A 29 -3.313 -1.071 -10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.475 0.767 -11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.965 0.092 -12.204 1.00 0.00 H new ATOM 366 N GLN A 30 -5.022 0.604 -9.009 1.00 0.00 N ATOM 367 CA GLN A 30 -5.720 1.268 -7.921 1.00 0.00 C ATOM 368 C GLN A 30 -4.717 1.844 -6.920 1.00 0.00 C ATOM 369 O GLN A 30 -3.507 1.709 -7.100 1.00 0.00 O ATOM 370 CB GLN A 30 -6.696 0.312 -7.231 1.00 0.00 C ATOM 371 CG GLN A 30 -7.960 0.119 -8.071 1.00 0.00 C ATOM 372 CD GLN A 30 -9.110 -0.414 -7.215 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.188 0.155 -7.153 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.823 -1.536 -6.561 1.00 0.00 N ATOM 0 H GLN A 30 -4.429 -0.175 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.302 2.091 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.213 -0.651 -7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.963 0.705 -6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.248 1.068 -8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.757 -0.575 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.901 -1.961 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.525 -1.972 -5.963 1.00 0.00 H new ATOM 383 N LEU A 31 -5.255 2.474 -5.886 1.00 0.00 N ATOM 384 CA LEU A 31 -4.422 3.071 -4.856 1.00 0.00 C ATOM 385 C LEU A 31 -4.948 2.660 -3.480 1.00 0.00 C ATOM 386 O LEU A 31 -6.155 2.524 -3.287 1.00 0.00 O ATOM 387 CB LEU A 31 -4.331 4.586 -5.052 1.00 0.00 C ATOM 388 CG LEU A 31 -3.785 5.056 -6.402 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.936 6.571 -6.557 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.336 4.602 -6.595 1.00 0.00 C ATOM 0 H LEU A 31 -6.258 2.584 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.399 2.701 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.326 5.010 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.700 4.997 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.376 4.591 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.540 6.879 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.990 6.840 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.385 7.075 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.972 4.949 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.715 5.020 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.288 3.514 -6.558 1.00 0.00 H new ATOM 402 N ILE A 32 -4.015 2.472 -2.558 1.00 0.00 N ATOM 403 CA ILE A 32 -4.368 2.079 -1.204 1.00 0.00 C ATOM 404 C ILE A 32 -3.519 2.871 -0.209 1.00 0.00 C ATOM 405 O ILE A 32 -2.359 3.178 -0.483 1.00 0.00 O ATOM 406 CB ILE A 32 -4.254 0.562 -1.040 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.468 -0.148 -1.643 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.038 0.184 0.427 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.064 -1.478 -2.281 1.00 0.00 C ATOM 0 H ILE A 32 -3.015 2.585 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.410 2.322 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.377 0.224 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.213 -0.324 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.933 0.492 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.960 -0.900 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.119 0.645 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.880 0.537 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.945 -1.962 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.337 -1.296 -3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.621 -2.125 -1.524 1.00 0.00 H new ATOM 421 N LEU A 33 -4.128 3.179 0.926 1.00 0.00 N ATOM 422 CA LEU A 33 -3.442 3.930 1.964 1.00 0.00 C ATOM 423 C LEU A 33 -3.012 2.975 3.079 1.00 0.00 C ATOM 424 O LEU A 33 -3.853 2.346 3.720 1.00 0.00 O ATOM 425 CB LEU A 33 -4.312 5.091 2.450 1.00 0.00 C ATOM 426 CG LEU A 33 -3.669 6.028 3.475 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.863 7.129 2.782 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.719 6.600 4.429 1.00 0.00 C ATOM 0 H LEU A 33 -5.089 2.922 1.150 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.535 4.386 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.611 5.682 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.223 4.679 2.885 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.970 5.448 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.417 7.781 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.075 6.678 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.522 7.713 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.236 7.262 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.461 7.161 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.210 5.785 4.961 1.00 0.00 H new ATOM 440 N ILE A 34 -1.705 2.896 3.277 1.00 0.00 N ATOM 441 CA ILE A 34 -1.153 2.028 4.303 1.00 0.00 C ATOM 442 C ILE A 34 -1.478 2.606 5.682 1.00 0.00 C ATOM 443 O ILE A 34 -1.135 3.751 5.976 1.00 0.00 O ATOM 444 CB ILE A 34 0.341 1.801 4.068 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.601 1.287 2.650 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.929 0.872 5.131 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.005 -0.104 2.452 1.00 0.00 C ATOM 0 H ILE A 34 -1.011 3.420 2.744 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.612 1.041 4.254 1.00 0.00 H new ATOM 0 HB ILE A 34 0.851 2.760 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.175 1.980 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.674 1.250 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.992 0.728 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.794 1.316 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.420 -0.091 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.194 -0.446 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.441 -0.800 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.082 -0.058 2.615 1.00 0.00 H new ATOM 459 N LEU A 35 -2.135 1.789 6.492 1.00 0.00 N ATOM 460 CA LEU A 35 -2.509 2.205 7.833 1.00 0.00 C ATOM 461 C LEU A 35 -1.708 1.397 8.855 1.00 0.00 C ATOM 462 O LEU A 35 -1.241 1.942 9.855 1.00 0.00 O ATOM 463 CB LEU A 35 -4.024 2.106 8.021 1.00 0.00 C ATOM 464 CG LEU A 35 -4.877 2.465 6.803 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.110 1.565 6.712 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.249 3.949 6.812 1.00 0.00 C ATOM 0 H LEU A 35 -2.418 0.841 6.245 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.259 3.254 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.267 1.087 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.311 2.759 8.846 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.283 2.288 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.699 1.842 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.796 0.525 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.716 1.686 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.855 4.177 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.816 4.176 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.341 4.552 6.792 1.00 0.00 H new ATOM 478 N LYS A 36 -1.572 0.110 8.570 1.00 0.00 N ATOM 479 CA LYS A 36 -0.836 -0.778 9.452 1.00 0.00 C ATOM 480 C LYS A 36 -0.006 -1.752 8.612 1.00 0.00 C ATOM 481 O LYS A 36 -0.414 -2.135 7.517 1.00 0.00 O ATOM 482 CB LYS A 36 -1.786 -1.468 10.434 1.00 0.00 C ATOM 483 CG LYS A 36 -1.160 -1.565 11.826 1.00 0.00 C ATOM 484 CD LYS A 36 -1.991 -2.469 12.739 1.00 0.00 C ATOM 485 CE LYS A 36 -3.026 -1.656 13.520 1.00 0.00 C ATOM 486 NZ LYS A 36 -3.881 -2.550 14.332 1.00 0.00 N ATOM 0 H LYS A 36 -1.960 -0.339 7.740 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.137 -0.210 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.722 -0.913 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.029 -2.466 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.146 -1.956 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.084 -0.570 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.495 -3.230 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.334 -2.992 13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.521 -0.939 14.167 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.643 -1.082 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.578 -1.983 14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.377 -3.217 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.290 -3.079 15.004 1.00 0.00 H new ATOM 500 N LYS A 37 1.143 -2.124 9.158 1.00 0.00 N ATOM 501 CA LYS A 37 2.033 -3.045 8.472 1.00 0.00 C ATOM 502 C LYS A 37 2.411 -4.183 9.421 1.00 0.00 C ATOM 503 O LYS A 37 2.507 -3.982 10.631 1.00 0.00 O ATOM 504 CB LYS A 37 3.238 -2.298 7.897 1.00 0.00 C ATOM 505 CG LYS A 37 2.807 -1.327 6.795 1.00 0.00 C ATOM 506 CD LYS A 37 4.000 -0.910 5.934 1.00 0.00 C ATOM 507 CE LYS A 37 4.186 0.609 5.954 1.00 0.00 C ATOM 508 NZ LYS A 37 5.160 0.999 6.998 1.00 0.00 N ATOM 0 H LYS A 37 1.478 -1.804 10.067 1.00 0.00 H new ATOM 0 HA LYS A 37 1.529 -3.496 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.744 -1.750 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.956 -3.013 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.048 -1.796 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.350 -0.444 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.905 -1.396 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.849 -1.248 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.533 0.952 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.229 1.096 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.274 2.033 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.814 0.689 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.077 0.549 6.802 1.00 0.00 H new ATOM 522 N ASN A 38 2.615 -5.355 8.837 1.00 0.00 N ATOM 523 CA ASN A 38 2.981 -6.526 9.616 1.00 0.00 C ATOM 524 C ASN A 38 4.387 -6.979 9.218 1.00 0.00 C ATOM 525 O ASN A 38 4.851 -6.682 8.119 1.00 0.00 O ATOM 526 CB ASN A 38 2.018 -7.685 9.352 1.00 0.00 C ATOM 527 CG ASN A 38 2.216 -8.806 10.375 1.00 0.00 C ATOM 528 OD1 ASN A 38 3.053 -8.733 11.260 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.403 -9.845 10.204 1.00 0.00 N ATOM 0 H ASN A 38 2.534 -5.519 7.834 1.00 0.00 H new ATOM 0 HA ASN A 38 2.940 -6.256 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.990 -7.325 9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.178 -8.073 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.458 -10.645 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.725 -9.842 9.442 1.00 0.00 H new ATOM 536 N THR A 39 5.026 -7.691 10.135 1.00 0.00 N ATOM 537 CA THR A 39 6.370 -8.188 9.894 1.00 0.00 C ATOM 538 C THR A 39 6.327 -9.434 9.008 1.00 0.00 C ATOM 539 O THR A 39 7.364 -10.023 8.707 1.00 0.00 O ATOM 540 CB THR A 39 7.035 -8.429 11.250 1.00 0.00 C ATOM 541 OG1 THR A 39 6.076 -9.193 11.976 1.00 0.00 O ATOM 542 CG2 THR A 39 7.184 -7.144 12.067 1.00 0.00 C ATOM 0 H THR A 39 4.638 -7.935 11.046 1.00 0.00 H new ATOM 0 HA THR A 39 6.969 -7.460 9.347 1.00 0.00 H new ATOM 0 HB THR A 39 8.017 -8.877 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.427 -9.395 12.868 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.662 -7.372 13.020 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.797 -6.431 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.200 -6.712 12.249 1.00 0.00 H new ATOM 550 N SER A 40 5.115 -9.799 8.614 1.00 0.00 N ATOM 551 CA SER A 40 4.923 -10.965 7.768 1.00 0.00 C ATOM 552 C SER A 40 4.805 -10.536 6.304 1.00 0.00 C ATOM 553 O SER A 40 5.264 -11.242 5.408 1.00 0.00 O ATOM 554 CB SER A 40 3.683 -11.754 8.192 1.00 0.00 C ATOM 555 OG SER A 40 4.018 -12.900 8.970 1.00 0.00 O ATOM 0 H SER A 40 4.257 -9.308 8.865 1.00 0.00 H new ATOM 0 HA SER A 40 5.790 -11.616 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.021 -11.107 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.132 -12.067 7.305 1.00 0.00 H new ATOM 0 HG SER A 40 3.199 -13.375 9.222 1.00 0.00 H new ATOM 561 N GLY A 41 4.187 -9.380 6.108 1.00 0.00 N ATOM 562 CA GLY A 41 4.003 -8.849 4.768 1.00 0.00 C ATOM 563 C GLY A 41 2.589 -8.292 4.589 1.00 0.00 C ATOM 564 O GLY A 41 2.357 -7.441 3.731 1.00 0.00 O ATOM 0 H GLY A 41 3.808 -8.797 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.734 -8.062 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.184 -9.634 4.034 1.00 0.00 H new ATOM 568 N TRP A 42 1.680 -8.796 5.411 1.00 0.00 N ATOM 569 CA TRP A 42 0.296 -8.360 5.354 1.00 0.00 C ATOM 570 C TRP A 42 0.241 -6.898 5.804 1.00 0.00 C ATOM 571 O TRP A 42 0.705 -6.563 6.893 1.00 0.00 O ATOM 572 CB TRP A 42 -0.603 -9.275 6.188 1.00 0.00 C ATOM 573 CG TRP A 42 -0.835 -10.654 5.565 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.104 -11.765 5.726 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.905 -11.024 4.671 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.623 -12.820 5.003 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.753 -12.355 4.341 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.967 -10.258 4.157 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.626 -13.038 3.486 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.831 -10.955 3.304 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.691 -12.295 2.962 1.00 0.00 C ATOM 0 H TRP A 42 1.876 -9.502 6.120 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.086 -8.426 4.335 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.158 -9.403 7.175 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.566 -8.786 6.334 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.780 -11.827 6.344 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.246 -13.767 4.962 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.105 -9.215 4.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.486 -14.081 3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.665 -10.414 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.401 -12.761 2.295 1.00 0.00 H new ATOM 592 N TRP A 43 -0.329 -6.068 4.944 1.00 0.00 N ATOM 593 CA TRP A 43 -0.450 -4.651 5.239 1.00 0.00 C ATOM 594 C TRP A 43 -1.939 -4.318 5.358 1.00 0.00 C ATOM 595 O TRP A 43 -2.758 -4.841 4.604 1.00 0.00 O ATOM 596 CB TRP A 43 0.268 -3.807 4.184 1.00 0.00 C ATOM 597 CG TRP A 43 1.794 -3.856 4.281 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.544 -4.569 5.133 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.732 -3.129 3.460 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.891 -4.356 4.921 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.009 -3.452 3.871 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.509 -2.228 2.404 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.162 -2.920 3.282 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.671 -1.705 1.825 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.964 -2.020 2.228 1.00 0.00 C ATOM 0 H TRP A 43 -0.713 -6.350 4.042 1.00 0.00 H new ATOM 0 HA TRP A 43 0.037 -4.412 6.184 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.034 -4.148 3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.059 -2.771 4.278 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.144 -5.227 5.890 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.659 -4.783 5.439 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.519 -1.960 2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.151 -3.189 3.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.555 -1.008 1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.812 -1.572 1.730 1.00 0.00 H new ATOM 616 N GLN A 44 -2.244 -3.450 6.311 1.00 0.00 N ATOM 617 CA GLN A 44 -3.619 -3.041 6.539 1.00 0.00 C ATOM 618 C GLN A 44 -3.836 -1.609 6.046 1.00 0.00 C ATOM 619 O GLN A 44 -3.564 -0.652 6.769 1.00 0.00 O ATOM 620 CB GLN A 44 -3.994 -3.175 8.017 1.00 0.00 C ATOM 621 CG GLN A 44 -5.503 -3.024 8.216 1.00 0.00 C ATOM 622 CD GLN A 44 -5.859 -2.988 9.703 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.114 -2.496 10.535 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.037 -3.535 9.991 1.00 0.00 N ATOM 0 H GLN A 44 -1.562 -3.018 6.935 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.273 -3.703 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.670 -4.146 8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.469 -2.417 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.847 -2.109 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.022 -3.853 7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.612 -3.929 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.365 -3.560 10.956 1.00 0.00 H new ATOM 633 N GLY A 45 -4.324 -1.507 4.818 1.00 0.00 N ATOM 634 CA GLY A 45 -4.580 -0.208 4.220 1.00 0.00 C ATOM 635 C GLY A 45 -6.045 -0.080 3.795 1.00 0.00 C ATOM 636 O GLY A 45 -6.831 -1.008 3.976 1.00 0.00 O ATOM 0 H GLY A 45 -4.549 -2.303 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.334 0.579 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.933 -0.068 3.354 1.00 0.00 H new ATOM 640 N GLU A 46 -6.366 1.078 3.237 1.00 0.00 N ATOM 641 CA GLU A 46 -7.722 1.340 2.785 1.00 0.00 C ATOM 642 C GLU A 46 -7.719 1.758 1.313 1.00 0.00 C ATOM 643 O GLU A 46 -7.099 2.756 0.949 1.00 0.00 O ATOM 644 CB GLU A 46 -8.395 2.403 3.655 1.00 0.00 C ATOM 645 CG GLU A 46 -9.815 2.694 3.165 1.00 0.00 C ATOM 646 CD GLU A 46 -10.163 4.174 3.343 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.662 4.511 4.439 1.00 0.00 O ATOM 648 OE2 GLU A 46 -9.922 4.933 2.380 1.00 0.00 O ATOM 0 H GLU A 46 -5.711 1.845 3.088 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.300 0.421 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.426 2.064 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.805 3.320 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.905 2.419 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.527 2.080 3.717 1.00 0.00 H new ATOM 655 N LEU A 47 -8.418 0.974 0.506 1.00 0.00 N ATOM 656 CA LEU A 47 -8.504 1.250 -0.918 1.00 0.00 C ATOM 657 C LEU A 47 -8.921 2.708 -1.126 1.00 0.00 C ATOM 658 O LEU A 47 -10.024 3.101 -0.751 1.00 0.00 O ATOM 659 CB LEU A 47 -9.428 0.243 -1.604 1.00 0.00 C ATOM 660 CG LEU A 47 -8.915 -0.352 -2.917 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.440 -1.775 -3.117 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.255 0.556 -4.101 1.00 0.00 C ATOM 0 H LEU A 47 -8.931 0.147 0.811 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.529 1.126 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.622 -0.574 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.384 0.730 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.828 -0.415 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.060 -2.174 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.105 -2.406 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.530 -1.761 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.879 0.110 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.336 0.674 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.792 1.532 -3.956 1.00 0.00 H new ATOM 674 N GLN A 48 -8.015 3.469 -1.722 1.00 0.00 N ATOM 675 CA GLN A 48 -8.274 4.875 -1.984 1.00 0.00 C ATOM 676 C GLN A 48 -8.924 5.047 -3.359 1.00 0.00 C ATOM 677 O GLN A 48 -8.648 6.017 -4.062 1.00 0.00 O ATOM 678 CB GLN A 48 -6.990 5.698 -1.878 1.00 0.00 C ATOM 679 CG GLN A 48 -6.515 5.789 -0.426 1.00 0.00 C ATOM 680 CD GLN A 48 -7.240 6.911 0.319 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.283 8.051 -0.113 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.806 6.526 1.459 1.00 0.00 N ATOM 0 H GLN A 48 -7.101 3.139 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.966 5.244 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.211 5.244 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.162 6.700 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.692 4.839 0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.440 5.967 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.732 5.555 1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.314 7.202 2.030 1.00 0.00 H new ATOM 800 N GLN A 55 -13.035 0.492 1.327 1.00 0.00 N ATOM 801 CA GLN A 55 -12.314 -0.767 1.405 1.00 0.00 C ATOM 802 C GLN A 55 -11.174 -0.664 2.420 1.00 0.00 C ATOM 803 O GLN A 55 -10.387 0.281 2.380 1.00 0.00 O ATOM 804 CB GLN A 55 -11.789 -1.184 0.030 1.00 0.00 C ATOM 805 CG GLN A 55 -12.818 -2.036 -0.715 1.00 0.00 C ATOM 806 CD GLN A 55 -13.545 -1.212 -1.779 1.00 0.00 C ATOM 807 OE1 GLN A 55 -14.367 -0.359 -1.487 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.197 -1.513 -3.027 1.00 0.00 N ATOM 0 HA GLN A 55 -13.005 -1.539 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.553 -0.297 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.862 -1.746 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.321 -2.885 -1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.541 -2.441 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.502 -2.238 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.626 -1.018 -3.809 1.00 0.00 H new ATOM 817 N LYS A 56 -11.120 -1.648 3.305 1.00 0.00 N ATOM 818 CA LYS A 56 -10.089 -1.680 4.328 1.00 0.00 C ATOM 819 C LYS A 56 -9.935 -3.111 4.847 1.00 0.00 C ATOM 820 O LYS A 56 -10.908 -3.725 5.281 1.00 0.00 O ATOM 821 CB LYS A 56 -10.392 -0.657 5.425 1.00 0.00 C ATOM 822 CG LYS A 56 -9.114 -0.249 6.161 1.00 0.00 C ATOM 823 CD LYS A 56 -8.888 -1.125 7.395 1.00 0.00 C ATOM 824 CE LYS A 56 -9.237 -0.367 8.677 1.00 0.00 C ATOM 825 NZ LYS A 56 -8.158 -0.519 9.679 1.00 0.00 N ATOM 0 H LYS A 56 -11.774 -2.430 3.335 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.126 -1.388 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.861 0.224 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.105 -1.078 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.260 -0.334 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.181 0.797 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.498 -2.025 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.847 -1.447 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.387 0.689 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.176 -0.743 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.134 0.320 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.337 -1.365 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.244 -0.619 9.193 1.00 0.00 H new ATOM 839 N GLY A 57 -8.705 -3.600 4.785 1.00 0.00 N ATOM 840 CA GLY A 57 -8.412 -4.947 5.243 1.00 0.00 C ATOM 841 C GLY A 57 -6.908 -5.227 5.195 1.00 0.00 C ATOM 842 O GLY A 57 -6.111 -4.318 4.969 1.00 0.00 O ATOM 0 H GLY A 57 -7.900 -3.087 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.777 -5.076 6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.940 -5.670 4.621 1.00 0.00 H new ATOM 846 N TRP A 58 -6.567 -6.489 5.410 1.00 0.00 N ATOM 847 CA TRP A 58 -5.173 -6.900 5.394 1.00 0.00 C ATOM 848 C TRP A 58 -4.884 -7.537 4.033 1.00 0.00 C ATOM 849 O TRP A 58 -5.605 -8.433 3.597 1.00 0.00 O ATOM 850 CB TRP A 58 -4.862 -7.831 6.567 1.00 0.00 C ATOM 851 CG TRP A 58 -4.821 -7.127 7.925 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.844 -6.862 8.749 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.650 -6.605 8.588 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.420 -6.211 9.890 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.043 -6.050 9.789 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.302 -6.603 8.187 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.150 -5.451 10.686 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.422 -6.001 9.094 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.803 -5.437 10.307 1.00 0.00 C ATOM 0 H TRP A 58 -7.231 -7.240 5.596 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.516 -6.040 5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.613 -8.620 6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.901 -8.313 6.390 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.872 -7.125 8.546 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.009 -5.905 10.665 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.972 -7.032 7.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.483 -5.023 11.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.374 -5.972 8.834 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.062 -4.990 10.954 1.00 0.00 H new ATOM 870 N PHE A 59 -3.827 -7.050 3.400 1.00 0.00 N ATOM 871 CA PHE A 59 -3.433 -7.561 2.098 1.00 0.00 C ATOM 872 C PHE A 59 -1.913 -7.705 2.002 1.00 0.00 C ATOM 873 O PHE A 59 -1.177 -7.080 2.764 1.00 0.00 O ATOM 874 CB PHE A 59 -3.904 -6.542 1.057 1.00 0.00 C ATOM 875 CG PHE A 59 -3.153 -5.210 1.107 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.859 -5.142 0.694 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.780 -4.093 1.565 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.163 -3.906 0.740 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.084 -2.857 1.611 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.790 -2.789 1.198 1.00 0.00 C ATOM 0 H PHE A 59 -3.231 -6.307 3.765 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.875 -8.544 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.791 -6.974 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.968 -6.354 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.361 -6.029 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.807 -4.147 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.136 -3.852 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.582 -1.970 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.260 -1.848 1.234 1.00 0.00 H new ATOM 890 N PRO A 60 -1.476 -8.555 1.034 1.00 0.00 N ATOM 891 CA PRO A 60 -0.057 -8.789 0.828 1.00 0.00 C ATOM 892 C PRO A 60 0.599 -7.598 0.127 1.00 0.00 C ATOM 893 O PRO A 60 0.094 -7.113 -0.884 1.00 0.00 O ATOM 894 CB PRO A 60 0.016 -10.071 0.015 1.00 0.00 C ATOM 895 CG PRO A 60 -1.362 -10.255 -0.599 1.00 0.00 C ATOM 896 CD PRO A 60 -2.319 -9.312 0.113 1.00 0.00 C ATOM 0 HA PRO A 60 0.492 -8.895 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.781 -10.000 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.278 -10.920 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.336 -10.038 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.693 -11.288 -0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.825 -8.654 -0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.094 -9.863 0.647 1.00 0.00 H new ATOM 904 N ALA A 61 1.716 -7.162 0.692 1.00 0.00 N ATOM 905 CA ALA A 61 2.447 -6.037 0.134 1.00 0.00 C ATOM 906 C ALA A 61 3.130 -6.472 -1.164 1.00 0.00 C ATOM 907 O ALA A 61 3.632 -5.638 -1.915 1.00 0.00 O ATOM 908 CB ALA A 61 3.442 -5.511 1.170 1.00 0.00 C ATOM 0 H ALA A 61 2.132 -7.568 1.530 1.00 0.00 H new ATOM 0 HA ALA A 61 1.768 -5.220 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.991 -4.667 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.903 -5.188 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.142 -6.303 1.437 1.00 0.00 H new ATOM 914 N SER A 62 3.128 -7.778 -1.387 1.00 0.00 N ATOM 915 CA SER A 62 3.742 -8.334 -2.581 1.00 0.00 C ATOM 916 C SER A 62 2.855 -8.066 -3.799 1.00 0.00 C ATOM 917 O SER A 62 3.283 -8.255 -4.936 1.00 0.00 O ATOM 918 CB SER A 62 3.990 -9.836 -2.425 1.00 0.00 C ATOM 919 OG SER A 62 5.374 -10.135 -2.266 1.00 0.00 O ATOM 0 H SER A 62 2.711 -8.467 -0.761 1.00 0.00 H new ATOM 0 HA SER A 62 4.706 -7.848 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.438 -10.207 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.604 -10.360 -3.299 1.00 0.00 H new ATOM 0 HG SER A 62 5.490 -11.103 -2.168 1.00 0.00 H new ATOM 925 N HIS A 63 1.636 -7.631 -3.518 1.00 0.00 N ATOM 926 CA HIS A 63 0.685 -7.335 -4.576 1.00 0.00 C ATOM 927 C HIS A 63 0.740 -5.844 -4.914 1.00 0.00 C ATOM 928 O HIS A 63 0.300 -5.430 -5.986 1.00 0.00 O ATOM 929 CB HIS A 63 -0.720 -7.805 -4.191 1.00 0.00 C ATOM 930 CG HIS A 63 -1.003 -9.246 -4.540 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.772 -9.617 -5.630 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.611 -10.403 -3.934 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.834 -10.940 -5.667 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.114 -11.426 -4.615 1.00 0.00 N ATOM 0 H HIS A 63 1.285 -7.476 -2.573 1.00 0.00 H new ATOM 0 HA HIS A 63 0.955 -7.886 -5.477 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.856 -7.668 -3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.453 -7.171 -4.689 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.215 -8.980 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.005 -10.475 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.362 -11.530 -6.401 1.00 0.00 H new ATOM 942 N VAL A 64 1.283 -5.078 -3.979 1.00 0.00 N ATOM 943 CA VAL A 64 1.401 -3.642 -4.164 1.00 0.00 C ATOM 944 C VAL A 64 2.881 -3.254 -4.178 1.00 0.00 C ATOM 945 O VAL A 64 3.748 -4.092 -3.940 1.00 0.00 O ATOM 946 CB VAL A 64 0.601 -2.908 -3.086 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.728 -3.615 -2.812 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.419 -2.761 -1.801 1.00 0.00 C ATOM 0 H VAL A 64 1.646 -5.425 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 64 0.978 -3.344 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 64 0.378 -1.908 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.277 -3.073 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.320 -3.644 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.535 -4.632 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.827 -2.236 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.687 -3.748 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.326 -2.194 -2.010 1.00 0.00 H new ATOM 958 N LYS A 65 3.123 -1.982 -4.461 1.00 0.00 N ATOM 959 CA LYS A 65 4.483 -1.473 -4.510 1.00 0.00 C ATOM 960 C LYS A 65 4.518 -0.065 -3.911 1.00 0.00 C ATOM 961 O LYS A 65 3.775 0.815 -4.342 1.00 0.00 O ATOM 962 CB LYS A 65 5.033 -1.548 -5.935 1.00 0.00 C ATOM 963 CG LYS A 65 6.102 -0.479 -6.168 1.00 0.00 C ATOM 964 CD LYS A 65 6.717 -0.612 -7.563 1.00 0.00 C ATOM 965 CE LYS A 65 6.188 0.474 -8.502 1.00 0.00 C ATOM 966 NZ LYS A 65 6.091 -0.040 -9.886 1.00 0.00 N ATOM 0 H LYS A 65 2.401 -1.289 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 65 5.144 -2.094 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.457 -2.536 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.220 -1.416 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.662 0.512 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.883 -0.570 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.802 -0.541 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.488 -1.596 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.208 0.810 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.849 1.340 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.730 0.710 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.032 -0.339 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.442 -0.852 -9.910 1.00 0.00 H new ATOM 980 N LEU A 66 5.389 0.104 -2.927 1.00 0.00 N ATOM 981 CA LEU A 66 5.530 1.389 -2.265 1.00 0.00 C ATOM 982 C LEU A 66 5.909 2.451 -3.298 1.00 0.00 C ATOM 983 O LEU A 66 6.799 2.234 -4.120 1.00 0.00 O ATOM 984 CB LEU A 66 6.515 1.286 -1.099 1.00 0.00 C ATOM 985 CG LEU A 66 5.903 0.997 0.273 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.955 1.114 1.379 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.694 1.897 0.535 1.00 0.00 C ATOM 0 H LEU A 66 6.004 -0.628 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 66 4.582 1.696 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.235 0.500 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.072 2.221 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 66 5.545 -0.032 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.493 0.904 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.756 0.398 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.365 2.124 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.278 1.671 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.004 2.941 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.937 1.721 -0.229 1.00 0.00 H new ATOM 999 N LEU A 67 5.216 3.578 -3.224 1.00 0.00 N ATOM 1000 CA LEU A 67 5.469 4.675 -4.143 1.00 0.00 C ATOM 1001 C LEU A 67 6.544 5.590 -3.554 1.00 0.00 C ATOM 1002 O LEU A 67 6.716 6.722 -4.005 1.00 0.00 O ATOM 1003 CB LEU A 67 4.165 5.398 -4.486 1.00 0.00 C ATOM 1004 CG LEU A 67 3.177 4.622 -5.360 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.118 5.555 -5.950 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.910 3.829 -6.443 1.00 0.00 C ATOM 0 H LEU A 67 4.479 3.755 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 67 5.855 4.298 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.665 5.664 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.412 6.331 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 67 2.656 3.901 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.428 4.979 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.567 6.037 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.603 6.315 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.185 3.287 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.474 4.514 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.594 3.121 -5.975 1.00 0.00 H new