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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.1) USER MOD Set 1.3: A 56 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 TYR OH : rot 102:sc= 0.102! USER MOD Set 2.2: A 23 GLN : amide:sc= -0.0133 X(o=0.088,f=0.09) USER MOD Set 3.1: A 13 THR OG1 : rot -14:sc= 0.599 USER MOD Set 3.2: A 14 SER OG : rot 180:sc=-0.00872 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -3.99! C(o=-7.3!,f=-4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.33! C(o=-2.3!,f=-8.6!) USER MOD Single : A 39 THR OG1 : rot -40:sc= 0.481 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0275 X(o=-0.027,f=-0.12) USER MOD Single : A 55 GLN : amide:sc= -0.342 K(o=-0.34,f=-4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.225 6.454 3.885 1.00 0.00 N ATOM 67 CA GLU A 8 2.008 5.785 2.860 1.00 0.00 C ATOM 68 C GLU A 8 1.086 5.176 1.801 1.00 0.00 C ATOM 69 O GLU A 8 0.196 4.391 2.125 1.00 0.00 O ATOM 70 CB GLU A 8 2.917 4.718 3.474 1.00 0.00 C ATOM 71 CG GLU A 8 4.386 5.141 3.399 1.00 0.00 C ATOM 72 CD GLU A 8 5.312 3.962 3.704 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.807 2.820 3.669 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.505 4.231 3.965 1.00 0.00 O ATOM 0 HA GLU A 8 2.646 6.525 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.636 4.550 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.780 3.772 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.605 5.533 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.573 5.948 4.108 1.00 0.00 H new ATOM 81 N ILE A 9 1.331 5.561 0.557 1.00 0.00 N ATOM 82 CA ILE A 9 0.534 5.063 -0.551 1.00 0.00 C ATOM 83 C ILE A 9 1.297 3.939 -1.257 1.00 0.00 C ATOM 84 O ILE A 9 2.524 3.970 -1.334 1.00 0.00 O ATOM 85 CB ILE A 9 0.131 6.210 -1.479 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.961 7.073 -0.842 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.285 5.683 -2.854 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.303 6.339 -0.832 1.00 0.00 C ATOM 0 H ILE A 9 2.070 6.212 0.292 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.400 4.635 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 9 1.001 6.849 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.676 7.332 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.058 8.008 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.567 6.519 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.549 5.145 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.134 5.009 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.062 6.974 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.596 6.103 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.209 5.416 -0.260 1.00 0.00 H new ATOM 100 N ALA A 10 0.537 2.975 -1.756 1.00 0.00 N ATOM 101 CA ALA A 10 1.126 1.844 -2.453 1.00 0.00 C ATOM 102 C ALA A 10 0.363 1.602 -3.757 1.00 0.00 C ATOM 103 O ALA A 10 -0.867 1.594 -3.769 1.00 0.00 O ATOM 104 CB ALA A 10 1.118 0.619 -1.537 1.00 0.00 C ATOM 0 H ALA A 10 -0.481 2.954 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 10 2.165 2.050 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.560 -0.229 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.697 0.833 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.092 0.379 -1.259 1.00 0.00 H new ATOM 110 N GLN A 11 1.125 1.409 -4.824 1.00 0.00 N ATOM 111 CA GLN A 11 0.536 1.167 -6.130 1.00 0.00 C ATOM 112 C GLN A 11 0.429 -0.337 -6.393 1.00 0.00 C ATOM 113 O GLN A 11 1.440 -1.034 -6.455 1.00 0.00 O ATOM 114 CB GLN A 11 1.341 1.860 -7.231 1.00 0.00 C ATOM 115 CG GLN A 11 0.737 1.582 -8.609 1.00 0.00 C ATOM 116 CD GLN A 11 0.986 2.753 -9.563 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.104 3.201 -9.758 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.115 3.221 -10.143 1.00 0.00 N ATOM 0 H GLN A 11 2.145 1.415 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.468 1.590 -6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.362 2.935 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.374 1.512 -7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.171 0.672 -9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.335 1.409 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.020 2.799 -9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.055 4.002 -10.796 1.00 0.00 H new ATOM 127 N VAL A 12 -0.807 -0.792 -6.541 1.00 0.00 N ATOM 128 CA VAL A 12 -1.060 -2.200 -6.796 1.00 0.00 C ATOM 129 C VAL A 12 -0.321 -2.625 -8.066 1.00 0.00 C ATOM 130 O VAL A 12 -0.369 -1.928 -9.079 1.00 0.00 O ATOM 131 CB VAL A 12 -2.567 -2.457 -6.866 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.858 -3.909 -7.250 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.248 -2.091 -5.546 1.00 0.00 C ATOM 0 H VAL A 12 -1.644 -0.211 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.678 -2.811 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.980 -1.816 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.936 -4.065 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.422 -4.122 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.424 -4.576 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.318 -2.283 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.828 -2.694 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.084 -1.035 -5.332 1.00 0.00 H new ATOM 143 N THR A 13 0.345 -3.766 -7.972 1.00 0.00 N ATOM 144 CA THR A 13 1.093 -4.292 -9.101 1.00 0.00 C ATOM 145 C THR A 13 0.478 -5.607 -9.583 1.00 0.00 C ATOM 146 O THR A 13 0.702 -6.023 -10.718 1.00 0.00 O ATOM 147 CB THR A 13 2.557 -4.425 -8.678 1.00 0.00 C ATOM 148 OG1 THR A 13 2.527 -5.379 -7.620 1.00 0.00 O ATOM 149 CG2 THR A 13 3.094 -3.154 -8.018 1.00 0.00 C ATOM 0 H THR A 13 0.382 -4.342 -7.131 1.00 0.00 H new ATOM 0 HA THR A 13 1.047 -3.616 -9.955 1.00 0.00 H new ATOM 0 HB THR A 13 3.166 -4.666 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.603 -5.505 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.137 -3.302 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.022 -2.322 -8.718 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.507 -2.931 -7.127 1.00 0.00 H new ATOM 157 N SER A 14 -0.287 -6.226 -8.695 1.00 0.00 N ATOM 158 CA SER A 14 -0.937 -7.485 -9.015 1.00 0.00 C ATOM 159 C SER A 14 -2.320 -7.542 -8.363 1.00 0.00 C ATOM 160 O SER A 14 -2.477 -7.172 -7.200 1.00 0.00 O ATOM 161 CB SER A 14 -0.087 -8.674 -8.561 1.00 0.00 C ATOM 162 OG SER A 14 1.307 -8.420 -8.706 1.00 0.00 O ATOM 0 H SER A 14 -0.471 -5.878 -7.754 1.00 0.00 H new ATOM 0 HA SER A 14 -1.051 -7.545 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.308 -8.900 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.357 -9.556 -9.142 1.00 0.00 H new ATOM 0 HG SER A 14 1.815 -9.202 -8.404 1.00 0.00 H new ATOM 168 N ALA A 15 -3.287 -8.007 -9.140 1.00 0.00 N ATOM 169 CA ALA A 15 -4.651 -8.116 -8.652 1.00 0.00 C ATOM 170 C ALA A 15 -4.711 -9.177 -7.551 1.00 0.00 C ATOM 171 O ALA A 15 -3.992 -10.174 -7.605 1.00 0.00 O ATOM 172 CB ALA A 15 -5.587 -8.435 -9.820 1.00 0.00 C ATOM 0 H ALA A 15 -3.153 -8.313 -10.104 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.980 -7.172 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.611 -8.517 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.529 -7.638 -10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.289 -9.378 -10.278 1.00 0.00 H new ATOM 178 N TYR A 16 -5.576 -8.927 -6.579 1.00 0.00 N ATOM 179 CA TYR A 16 -5.739 -9.848 -5.467 1.00 0.00 C ATOM 180 C TYR A 16 -7.171 -9.809 -4.929 1.00 0.00 C ATOM 181 O TYR A 16 -7.712 -8.735 -4.671 1.00 0.00 O ATOM 182 CB TYR A 16 -4.783 -9.365 -4.375 1.00 0.00 C ATOM 183 CG TYR A 16 -4.821 -10.206 -3.098 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.028 -11.330 -2.988 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.649 -9.841 -2.056 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.064 -12.122 -1.786 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.685 -10.633 -0.853 1.00 0.00 C ATOM 188 CZ TYR A 16 -4.891 -11.734 -0.778 1.00 0.00 C ATOM 189 OH TYR A 16 -4.924 -12.482 0.358 1.00 0.00 O ATOM 0 H TYR A 16 -6.171 -8.100 -6.538 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.531 -10.871 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.767 -9.367 -4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.026 -8.332 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.380 -11.616 -3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.270 -8.962 -2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.449 -13.004 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.328 -10.358 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.399 -12.039 1.057 1.00 0.00 H new ATOM 269 N GLN A 23 -9.217 -9.647 5.090 1.00 0.00 N ATOM 270 CA GLN A 23 -8.404 -9.504 3.894 1.00 0.00 C ATOM 271 C GLN A 23 -9.033 -8.483 2.944 1.00 0.00 C ATOM 272 O GLN A 23 -10.255 -8.410 2.825 1.00 0.00 O ATOM 273 CB GLN A 23 -8.209 -10.853 3.199 1.00 0.00 C ATOM 274 CG GLN A 23 -7.172 -11.704 3.935 1.00 0.00 C ATOM 275 CD GLN A 23 -7.325 -13.184 3.579 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.452 -14.045 4.434 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.305 -13.431 2.272 1.00 0.00 N ATOM 0 HA GLN A 23 -7.420 -9.139 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.159 -11.386 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.889 -10.693 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.169 -11.366 3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.285 -11.572 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.195 -12.663 1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.399 -14.388 1.932 1.00 0.00 H new ATOM 286 N LEU A 24 -8.169 -7.720 2.290 1.00 0.00 N ATOM 287 CA LEU A 24 -8.624 -6.707 1.354 1.00 0.00 C ATOM 288 C LEU A 24 -8.138 -7.063 -0.053 1.00 0.00 C ATOM 289 O LEU A 24 -6.960 -7.357 -0.250 1.00 0.00 O ATOM 290 CB LEU A 24 -8.192 -5.315 1.819 1.00 0.00 C ATOM 291 CG LEU A 24 -8.359 -4.186 0.801 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.828 -4.010 0.412 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.744 -2.884 1.319 1.00 0.00 C ATOM 0 H LEU A 24 -7.156 -7.784 2.390 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.713 -6.683 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.762 -5.059 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.143 -5.361 2.112 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.817 -4.461 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.918 -3.201 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.201 -4.935 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.413 -3.769 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.877 -2.098 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.236 -2.593 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.680 -3.032 1.504 1.00 0.00 H new ATOM 305 N SER A 25 -9.070 -7.025 -0.993 1.00 0.00 N ATOM 306 CA SER A 25 -8.751 -7.340 -2.376 1.00 0.00 C ATOM 307 C SER A 25 -7.986 -6.179 -3.014 1.00 0.00 C ATOM 308 O SER A 25 -8.293 -5.015 -2.761 1.00 0.00 O ATOM 309 CB SER A 25 -10.018 -7.646 -3.177 1.00 0.00 C ATOM 310 OG SER A 25 -10.774 -6.469 -3.449 1.00 0.00 O ATOM 0 H SER A 25 -10.046 -6.781 -0.825 1.00 0.00 H new ATOM 0 HA SER A 25 -8.122 -8.230 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.746 -8.127 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.635 -8.354 -2.623 1.00 0.00 H new ATOM 0 HG SER A 25 -11.574 -6.706 -3.963 1.00 0.00 H new ATOM 316 N LEU A 26 -7.005 -6.537 -3.830 1.00 0.00 N ATOM 317 CA LEU A 26 -6.193 -5.539 -4.506 1.00 0.00 C ATOM 318 C LEU A 26 -6.480 -5.588 -6.008 1.00 0.00 C ATOM 319 O LEU A 26 -6.864 -6.630 -6.537 1.00 0.00 O ATOM 320 CB LEU A 26 -4.716 -5.722 -4.156 1.00 0.00 C ATOM 321 CG LEU A 26 -4.401 -5.953 -2.676 1.00 0.00 C ATOM 322 CD1 LEU A 26 -2.957 -6.424 -2.489 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.707 -4.702 -1.849 1.00 0.00 C ATOM 0 H LEU A 26 -6.754 -7.504 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.455 -4.538 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.330 -6.568 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.172 -4.838 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.049 -6.749 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.760 -6.581 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.807 -7.359 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.275 -5.668 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.475 -4.893 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.102 -3.870 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.763 -4.451 -1.946 1.00 0.00 H new ATOM 335 N ALA A 27 -6.281 -4.448 -6.654 1.00 0.00 N ATOM 336 CA ALA A 27 -6.513 -4.349 -8.085 1.00 0.00 C ATOM 337 C ALA A 27 -5.393 -3.524 -8.723 1.00 0.00 C ATOM 338 O ALA A 27 -4.949 -2.529 -8.153 1.00 0.00 O ATOM 339 CB ALA A 27 -7.897 -3.746 -8.337 1.00 0.00 C ATOM 0 H ALA A 27 -5.962 -3.586 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.498 -5.337 -8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.071 -3.672 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.659 -4.384 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.948 -2.753 -7.891 1.00 0.00 H new ATOM 345 N PRO A 28 -4.958 -3.981 -9.927 1.00 0.00 N ATOM 346 CA PRO A 28 -3.898 -3.296 -10.649 1.00 0.00 C ATOM 347 C PRO A 28 -4.414 -2.004 -11.286 1.00 0.00 C ATOM 348 O PRO A 28 -5.250 -2.043 -12.187 1.00 0.00 O ATOM 349 CB PRO A 28 -3.403 -4.306 -11.671 1.00 0.00 C ATOM 350 CG PRO A 28 -4.505 -5.345 -11.798 1.00 0.00 C ATOM 351 CD PRO A 28 -5.461 -5.156 -10.632 1.00 0.00 C ATOM 0 HA PRO A 28 -3.084 -2.976 -9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.206 -3.827 -12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.469 -4.765 -11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.031 -5.229 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.084 -6.351 -11.788 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.483 -5.002 -10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.473 -6.032 -9.984 1.00 0.00 H new ATOM 359 N GLY A 29 -3.895 -0.890 -10.792 1.00 0.00 N ATOM 360 CA GLY A 29 -4.292 0.411 -11.301 1.00 0.00 C ATOM 361 C GLY A 29 -5.122 1.175 -10.267 1.00 0.00 C ATOM 362 O GLY A 29 -5.859 2.097 -10.615 1.00 0.00 O ATOM 0 H GLY A 29 -3.202 -0.862 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.406 0.990 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.870 0.286 -12.216 1.00 0.00 H new ATOM 366 N GLN A 30 -4.975 0.763 -9.016 1.00 0.00 N ATOM 367 CA GLN A 30 -5.701 1.397 -7.929 1.00 0.00 C ATOM 368 C GLN A 30 -4.724 2.006 -6.922 1.00 0.00 C ATOM 369 O GLN A 30 -3.510 1.884 -7.078 1.00 0.00 O ATOM 370 CB GLN A 30 -6.643 0.403 -7.247 1.00 0.00 C ATOM 371 CG GLN A 30 -7.890 0.156 -8.098 1.00 0.00 C ATOM 372 CD GLN A 30 -9.087 -0.217 -7.222 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.954 -1.380 -6.590 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.067 0.503 -7.126 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.364 -0.002 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.311 2.199 -8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.122 -0.539 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.936 0.786 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.123 1.050 -8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.694 -0.644 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.105 1.384 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.849 0.224 -6.533 1.00 0.00 H new ATOM 383 N LEU A 31 -5.290 2.651 -5.912 1.00 0.00 N ATOM 384 CA LEU A 31 -4.484 3.280 -4.880 1.00 0.00 C ATOM 385 C LEU A 31 -5.020 2.879 -3.505 1.00 0.00 C ATOM 386 O LEU A 31 -6.232 2.832 -3.297 1.00 0.00 O ATOM 387 CB LEU A 31 -4.420 4.793 -5.098 1.00 0.00 C ATOM 388 CG LEU A 31 -3.615 5.263 -6.312 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.731 6.777 -6.493 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.158 4.807 -6.213 1.00 0.00 C ATOM 0 H LEU A 31 -6.297 2.751 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.453 2.929 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.438 5.169 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.994 5.251 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.037 4.799 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.150 7.085 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.777 7.047 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.349 7.280 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.608 5.154 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.707 5.223 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.120 3.719 -6.168 1.00 0.00 H new ATOM 402 N ILE A 32 -4.092 2.600 -2.601 1.00 0.00 N ATOM 403 CA ILE A 32 -4.457 2.204 -1.251 1.00 0.00 C ATOM 404 C ILE A 32 -3.650 3.030 -0.247 1.00 0.00 C ATOM 405 O ILE A 32 -2.544 3.473 -0.550 1.00 0.00 O ATOM 406 CB ILE A 32 -4.297 0.693 -1.074 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.505 -0.056 -1.641 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.038 0.337 0.391 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.085 -1.402 -2.237 1.00 0.00 C ATOM 0 H ILE A 32 -3.088 2.640 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.510 2.413 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.424 0.373 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.241 -0.217 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.987 0.551 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.928 -0.743 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.125 0.827 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.877 0.673 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.962 -1.914 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.368 -1.236 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.626 -2.016 -1.462 1.00 0.00 H new ATOM 421 N LEU A 33 -4.236 3.210 0.928 1.00 0.00 N ATOM 422 CA LEU A 33 -3.585 3.975 1.978 1.00 0.00 C ATOM 423 C LEU A 33 -3.138 3.025 3.092 1.00 0.00 C ATOM 424 O LEU A 33 -3.965 2.365 3.719 1.00 0.00 O ATOM 425 CB LEU A 33 -4.497 5.104 2.462 1.00 0.00 C ATOM 426 CG LEU A 33 -3.904 6.038 3.519 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.055 7.133 2.869 1.00 0.00 C ATOM 428 CD2 LEU A 33 -5.000 6.619 4.414 1.00 0.00 C ATOM 0 H LEU A 33 -5.154 2.840 1.176 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.689 4.463 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.790 5.703 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.407 4.661 2.866 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.242 5.454 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.645 7.783 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.239 6.676 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.675 7.721 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.552 7.279 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.706 7.184 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.525 5.808 4.919 1.00 0.00 H new ATOM 440 N ILE A 34 -1.831 2.986 3.303 1.00 0.00 N ATOM 441 CA ILE A 34 -1.264 2.128 4.330 1.00 0.00 C ATOM 442 C ILE A 34 -1.622 2.686 5.709 1.00 0.00 C ATOM 443 O ILE A 34 -1.334 3.844 6.008 1.00 0.00 O ATOM 444 CB ILE A 34 0.240 1.950 4.110 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.532 1.467 2.688 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.843 1.022 5.166 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.019 0.057 2.464 1.00 0.00 C ATOM 0 H ILE A 34 -1.148 3.535 2.780 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.692 1.127 4.269 1.00 0.00 H new ATOM 0 HB ILE A 34 0.720 2.922 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.087 2.154 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.608 1.473 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.913 0.913 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.683 1.446 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.364 0.045 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.202 -0.262 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.446 -0.632 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.098 0.059 2.617 1.00 0.00 H new ATOM 459 N LEU A 35 -2.244 1.836 6.512 1.00 0.00 N ATOM 460 CA LEU A 35 -2.644 2.229 7.853 1.00 0.00 C ATOM 461 C LEU A 35 -1.808 1.459 8.877 1.00 0.00 C ATOM 462 O LEU A 35 -1.279 2.046 9.819 1.00 0.00 O ATOM 463 CB LEU A 35 -4.153 2.053 8.035 1.00 0.00 C ATOM 464 CG LEU A 35 -5.022 2.429 6.832 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.178 1.442 6.662 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.512 3.874 6.940 1.00 0.00 C ATOM 0 H LEU A 35 -2.481 0.876 6.260 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.448 3.289 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.349 1.011 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.469 2.654 8.888 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.409 2.364 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.780 1.732 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.780 0.439 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.799 1.451 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.127 4.115 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.103 3.991 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.655 4.547 6.976 1.00 0.00 H new ATOM 478 N LYS A 36 -1.715 0.156 8.657 1.00 0.00 N ATOM 479 CA LYS A 36 -0.952 -0.701 9.549 1.00 0.00 C ATOM 480 C LYS A 36 -0.067 -1.635 8.720 1.00 0.00 C ATOM 481 O LYS A 36 -0.440 -2.031 7.616 1.00 0.00 O ATOM 482 CB LYS A 36 -1.884 -1.434 10.515 1.00 0.00 C ATOM 483 CG LYS A 36 -1.253 -1.550 11.904 1.00 0.00 C ATOM 484 CD LYS A 36 -1.980 -0.658 12.913 1.00 0.00 C ATOM 485 CE LYS A 36 -2.683 -1.498 13.981 1.00 0.00 C ATOM 486 NZ LYS A 36 -4.148 -1.299 13.916 1.00 0.00 N ATOM 0 H LYS A 36 -2.155 -0.327 7.874 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.288 -0.104 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.832 -0.901 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.105 -2.429 10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.289 -2.587 12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.202 -1.267 11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.267 0.017 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.711 -0.037 12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.447 -2.552 13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.316 -1.221 14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.610 -1.876 14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.369 -0.296 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.496 -1.585 12.979 1.00 0.00 H new ATOM 500 N LYS A 37 1.087 -1.959 9.283 1.00 0.00 N ATOM 501 CA LYS A 37 2.027 -2.838 8.609 1.00 0.00 C ATOM 502 C LYS A 37 2.410 -3.984 9.548 1.00 0.00 C ATOM 503 O LYS A 37 2.737 -3.755 10.712 1.00 0.00 O ATOM 504 CB LYS A 37 3.227 -2.043 8.089 1.00 0.00 C ATOM 505 CG LYS A 37 2.799 -1.054 7.003 1.00 0.00 C ATOM 506 CD LYS A 37 3.987 -0.658 6.124 1.00 0.00 C ATOM 507 CE LYS A 37 4.246 0.848 6.198 1.00 0.00 C ATOM 508 NZ LYS A 37 5.155 1.163 7.323 1.00 0.00 N ATOM 0 H LYS A 37 1.393 -1.629 10.198 1.00 0.00 H new ATOM 0 HA LYS A 37 1.565 -3.286 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.696 -1.504 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.975 -2.727 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.019 -1.500 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.371 -0.164 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.877 -1.200 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.792 -0.947 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.683 1.194 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.303 1.379 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.320 2.189 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.723 0.850 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.061 0.671 7.186 1.00 0.00 H new ATOM 522 N ASN A 38 2.356 -5.193 9.008 1.00 0.00 N ATOM 523 CA ASN A 38 2.693 -6.375 9.784 1.00 0.00 C ATOM 524 C ASN A 38 4.134 -6.787 9.477 1.00 0.00 C ATOM 525 O ASN A 38 4.662 -6.465 8.414 1.00 0.00 O ATOM 526 CB ASN A 38 1.779 -7.548 9.424 1.00 0.00 C ATOM 527 CG ASN A 38 1.965 -8.708 10.405 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.712 -8.628 11.366 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.246 -9.787 10.109 1.00 0.00 N ATOM 0 H ASN A 38 2.084 -5.380 8.043 1.00 0.00 H new ATOM 0 HA ASN A 38 2.570 -6.133 10.840 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.739 -7.221 9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.996 -7.885 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.301 -10.615 10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.640 -9.787 9.289 1.00 0.00 H new ATOM 536 N THR A 39 4.729 -7.493 10.427 1.00 0.00 N ATOM 537 CA THR A 39 6.098 -7.953 10.272 1.00 0.00 C ATOM 538 C THR A 39 6.138 -9.239 9.444 1.00 0.00 C ATOM 539 O THR A 39 7.201 -9.831 9.261 1.00 0.00 O ATOM 540 CB THR A 39 6.706 -8.109 11.667 1.00 0.00 C ATOM 541 OG1 THR A 39 8.104 -8.241 11.424 1.00 0.00 O ATOM 542 CG2 THR A 39 6.316 -9.432 12.331 1.00 0.00 C ATOM 0 H THR A 39 4.287 -7.758 11.308 1.00 0.00 H new ATOM 0 HA THR A 39 6.698 -7.229 9.720 1.00 0.00 H new ATOM 0 HB THR A 39 6.387 -7.279 12.297 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.247 -8.807 10.637 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.774 -9.492 13.318 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.232 -9.484 12.430 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.665 -10.263 11.718 1.00 0.00 H new ATOM 550 N SER A 40 4.967 -9.634 8.966 1.00 0.00 N ATOM 551 CA SER A 40 4.855 -10.839 8.162 1.00 0.00 C ATOM 552 C SER A 40 4.834 -10.477 6.676 1.00 0.00 C ATOM 553 O SER A 40 5.310 -11.243 5.840 1.00 0.00 O ATOM 554 CB SER A 40 3.602 -11.634 8.533 1.00 0.00 C ATOM 555 OG SER A 40 3.893 -12.705 9.427 1.00 0.00 O ATOM 0 H SER A 40 4.088 -9.141 9.120 1.00 0.00 H new ATOM 0 HA SER A 40 5.723 -11.466 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.872 -10.967 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.144 -12.032 7.627 1.00 0.00 H new ATOM 0 HG SER A 40 3.067 -13.187 9.641 1.00 0.00 H new ATOM 561 N GLY A 41 4.277 -9.309 6.392 1.00 0.00 N ATOM 562 CA GLY A 41 4.188 -8.835 5.021 1.00 0.00 C ATOM 563 C GLY A 41 2.783 -8.314 4.712 1.00 0.00 C ATOM 564 O GLY A 41 2.572 -7.652 3.697 1.00 0.00 O ATOM 0 H GLY A 41 3.883 -8.676 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.918 -8.042 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.439 -9.644 4.335 1.00 0.00 H new ATOM 568 N TRP A 42 1.858 -8.632 5.606 1.00 0.00 N ATOM 569 CA TRP A 42 0.480 -8.204 5.441 1.00 0.00 C ATOM 570 C TRP A 42 0.384 -6.739 5.874 1.00 0.00 C ATOM 571 O TRP A 42 0.840 -6.378 6.958 1.00 0.00 O ATOM 572 CB TRP A 42 -0.474 -9.118 6.212 1.00 0.00 C ATOM 573 CG TRP A 42 -0.621 -10.516 5.608 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.169 -11.583 5.794 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.656 -10.958 4.705 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.280 -12.676 5.081 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.425 -12.284 4.398 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.752 -10.261 4.166 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.247 -13.027 3.541 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.563 -11.018 3.312 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.345 -12.353 2.993 1.00 0.00 C ATOM 0 H TRP A 42 2.036 -9.181 6.447 1.00 0.00 H new ATOM 0 HA TRP A 42 0.176 -8.279 4.397 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.120 -9.212 7.239 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.456 -8.647 6.256 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.047 -11.587 6.423 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.149 -13.601 5.059 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.952 -9.224 4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.045 -14.064 3.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.419 -10.530 2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.020 -12.868 2.325 1.00 0.00 H new ATOM 592 N TRP A 43 -0.210 -5.936 5.005 1.00 0.00 N ATOM 593 CA TRP A 43 -0.371 -4.519 5.284 1.00 0.00 C ATOM 594 C TRP A 43 -1.868 -4.228 5.406 1.00 0.00 C ATOM 595 O TRP A 43 -2.675 -4.786 4.664 1.00 0.00 O ATOM 596 CB TRP A 43 0.317 -3.668 4.215 1.00 0.00 C ATOM 597 CG TRP A 43 1.844 -3.662 4.312 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.618 -4.333 5.176 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.756 -2.919 3.476 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.957 -4.077 4.959 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.044 -3.191 3.892 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.502 -2.047 2.403 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.177 -2.630 3.292 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.646 -1.495 1.814 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.948 -1.758 2.221 1.00 0.00 C ATOM 0 H TRP A 43 -0.586 -6.239 4.107 1.00 0.00 H new ATOM 0 HA TRP A 43 0.113 -4.254 6.224 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.027 -4.035 3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.046 -2.643 4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.242 -4.991 5.945 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.739 -4.467 5.485 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.503 -1.821 2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.175 -2.858 3.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.506 -0.817 0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.780 -1.292 1.714 1.00 0.00 H new ATOM 616 N GLN A 44 -2.194 -3.356 6.349 1.00 0.00 N ATOM 617 CA GLN A 44 -3.580 -2.984 6.578 1.00 0.00 C ATOM 618 C GLN A 44 -3.832 -1.553 6.099 1.00 0.00 C ATOM 619 O GLN A 44 -3.586 -0.597 6.832 1.00 0.00 O ATOM 620 CB GLN A 44 -3.953 -3.142 8.054 1.00 0.00 C ATOM 621 CG GLN A 44 -5.469 -3.068 8.247 1.00 0.00 C ATOM 622 CD GLN A 44 -5.831 -3.051 9.733 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.068 -2.617 10.580 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.036 -3.546 10.002 1.00 0.00 N ATOM 0 H GLN A 44 -1.522 -2.896 6.963 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.216 -3.656 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.581 -4.097 8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.469 -2.361 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.858 -2.171 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.943 -3.922 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.625 -3.893 9.245 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.371 -3.578 10.965 1.00 0.00 H new ATOM 633 N GLY A 45 -4.320 -1.452 4.871 1.00 0.00 N ATOM 634 CA GLY A 45 -4.609 -0.154 4.285 1.00 0.00 C ATOM 635 C GLY A 45 -6.074 -0.059 3.858 1.00 0.00 C ATOM 636 O GLY A 45 -6.838 -1.008 4.031 1.00 0.00 O ATOM 0 H GLY A 45 -4.522 -2.248 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.385 0.632 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.964 0.011 3.422 1.00 0.00 H new ATOM 640 N GLU A 46 -6.423 1.094 3.307 1.00 0.00 N ATOM 641 CA GLU A 46 -7.784 1.326 2.853 1.00 0.00 C ATOM 642 C GLU A 46 -7.787 1.773 1.390 1.00 0.00 C ATOM 643 O GLU A 46 -7.170 2.780 1.044 1.00 0.00 O ATOM 644 CB GLU A 46 -8.492 2.351 3.741 1.00 0.00 C ATOM 645 CG GLU A 46 -9.891 2.665 3.208 1.00 0.00 C ATOM 646 CD GLU A 46 -10.168 4.169 3.250 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.235 4.703 4.378 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.307 4.751 2.152 1.00 0.00 O ATOM 0 H GLU A 46 -5.787 1.878 3.164 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.335 0.388 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.564 1.967 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.902 3.267 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.984 2.303 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.637 2.137 3.802 1.00 0.00 H new ATOM 655 N LEU A 47 -8.487 1.003 0.570 1.00 0.00 N ATOM 656 CA LEU A 47 -8.579 1.308 -0.848 1.00 0.00 C ATOM 657 C LEU A 47 -9.000 2.768 -1.025 1.00 0.00 C ATOM 658 O LEU A 47 -10.009 3.199 -0.469 1.00 0.00 O ATOM 659 CB LEU A 47 -9.502 0.312 -1.552 1.00 0.00 C ATOM 660 CG LEU A 47 -8.997 -0.244 -2.885 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.665 -1.582 -3.209 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.181 0.776 -4.010 1.00 0.00 C ATOM 0 H LEU A 47 -8.996 0.168 0.860 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.605 1.197 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.683 -0.525 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.463 0.797 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.927 -0.432 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.289 -1.955 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.439 -2.302 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.744 -1.443 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.814 0.355 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.239 1.019 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.622 1.682 -3.775 1.00 0.00 H new ATOM 674 N GLN A 48 -8.206 3.490 -1.803 1.00 0.00 N ATOM 675 CA GLN A 48 -8.484 4.892 -2.061 1.00 0.00 C ATOM 676 C GLN A 48 -9.358 5.040 -3.308 1.00 0.00 C ATOM 677 O GLN A 48 -9.279 6.046 -4.011 1.00 0.00 O ATOM 678 CB GLN A 48 -7.187 5.691 -2.202 1.00 0.00 C ATOM 679 CG GLN A 48 -6.432 5.751 -0.873 1.00 0.00 C ATOM 680 CD GLN A 48 -7.166 6.638 0.135 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.236 7.849 0.000 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.707 5.970 1.150 1.00 0.00 N ATOM 0 H GLN A 48 -7.370 3.129 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.030 5.296 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.555 5.233 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.414 6.702 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.323 4.745 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.427 6.138 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.611 4.956 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.218 6.472 1.876 1.00 0.00 H new ATOM 800 N GLN A 55 -13.140 0.307 1.428 1.00 0.00 N ATOM 801 CA GLN A 55 -12.377 -0.928 1.505 1.00 0.00 C ATOM 802 C GLN A 55 -11.269 -0.802 2.552 1.00 0.00 C ATOM 803 O GLN A 55 -10.597 0.225 2.631 1.00 0.00 O ATOM 804 CB GLN A 55 -11.801 -1.303 0.139 1.00 0.00 C ATOM 805 CG GLN A 55 -12.758 -2.218 -0.628 1.00 0.00 C ATOM 806 CD GLN A 55 -13.347 -1.499 -1.844 1.00 0.00 C ATOM 807 OE1 GLN A 55 -12.879 -0.455 -2.268 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.398 -2.114 -2.379 1.00 0.00 N ATOM 0 HA GLN A 55 -13.050 -1.730 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.613 -0.399 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.841 -1.803 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.229 -3.114 -0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.562 -2.544 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.739 -2.986 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.863 -1.714 -3.194 1.00 0.00 H new ATOM 817 N LYS A 56 -11.111 -1.863 3.330 1.00 0.00 N ATOM 818 CA LYS A 56 -10.095 -1.884 4.369 1.00 0.00 C ATOM 819 C LYS A 56 -9.912 -3.319 4.868 1.00 0.00 C ATOM 820 O LYS A 56 -10.875 -3.965 5.279 1.00 0.00 O ATOM 821 CB LYS A 56 -10.441 -0.888 5.477 1.00 0.00 C ATOM 822 CG LYS A 56 -9.182 -0.434 6.219 1.00 0.00 C ATOM 823 CD LYS A 56 -8.936 -1.295 7.460 1.00 0.00 C ATOM 824 CE LYS A 56 -9.690 -0.741 8.670 1.00 0.00 C ATOM 825 NZ LYS A 56 -9.612 -1.685 9.807 1.00 0.00 N ATOM 0 H LYS A 56 -11.669 -2.714 3.262 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.134 -1.560 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.947 -0.023 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.136 -1.347 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.321 -0.495 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.285 0.611 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.255 -2.319 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.868 -1.330 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.268 0.221 8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.733 -0.565 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.345 -1.449 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.761 -2.655 9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.675 -1.615 10.252 1.00 0.00 H new ATOM 839 N GLY A 57 -8.669 -3.776 4.816 1.00 0.00 N ATOM 840 CA GLY A 57 -8.348 -5.122 5.257 1.00 0.00 C ATOM 841 C GLY A 57 -6.839 -5.372 5.203 1.00 0.00 C ATOM 842 O GLY A 57 -6.066 -4.459 4.917 1.00 0.00 O ATOM 0 H GLY A 57 -7.873 -3.238 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.709 -5.271 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.863 -5.847 4.627 1.00 0.00 H new ATOM 846 N TRP A 58 -6.466 -6.612 5.481 1.00 0.00 N ATOM 847 CA TRP A 58 -5.064 -6.993 5.467 1.00 0.00 C ATOM 848 C TRP A 58 -4.777 -7.689 4.135 1.00 0.00 C ATOM 849 O TRP A 58 -5.306 -8.766 3.866 1.00 0.00 O ATOM 850 CB TRP A 58 -4.719 -7.859 6.680 1.00 0.00 C ATOM 851 CG TRP A 58 -4.767 -7.109 8.013 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.833 -6.881 8.793 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.654 -6.495 8.695 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.489 -6.167 9.923 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.121 -5.925 9.861 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.296 -6.422 8.337 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.298 -5.243 10.765 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.486 -5.737 9.251 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.941 -5.158 10.430 1.00 0.00 C ATOM 0 H TRP A 58 -7.111 -7.366 5.717 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.425 -6.114 5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.412 -8.700 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.721 -8.275 6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.835 -7.214 8.566 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.122 -5.871 10.667 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.908 -6.860 7.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.689 -4.806 11.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.434 -5.653 9.024 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.251 -4.645 11.084 1.00 0.00 H new ATOM 870 N PHE A 59 -3.938 -7.046 3.336 1.00 0.00 N ATOM 871 CA PHE A 59 -3.574 -7.589 2.039 1.00 0.00 C ATOM 872 C PHE A 59 -2.058 -7.759 1.922 1.00 0.00 C ATOM 873 O PHE A 59 -1.301 -7.147 2.674 1.00 0.00 O ATOM 874 CB PHE A 59 -4.046 -6.586 0.985 1.00 0.00 C ATOM 875 CG PHE A 59 -3.291 -5.255 1.010 1.00 0.00 C ATOM 876 CD1 PHE A 59 -2.018 -5.187 0.536 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.893 -4.141 1.506 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.318 -3.952 0.559 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.193 -2.907 1.530 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.920 -2.838 1.056 1.00 0.00 C ATOM 0 H PHE A 59 -3.500 -6.153 3.562 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.034 -8.568 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.938 -7.035 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.108 -6.392 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.540 -6.072 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.904 -4.196 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.307 -3.897 0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.671 -2.023 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.387 -1.899 1.074 1.00 0.00 H new ATOM 890 N PRO A 60 -1.649 -8.615 0.947 1.00 0.00 N ATOM 891 CA PRO A 60 -0.236 -8.872 0.722 1.00 0.00 C ATOM 892 C PRO A 60 0.430 -7.691 0.013 1.00 0.00 C ATOM 893 O PRO A 60 -0.068 -7.213 -1.005 1.00 0.00 O ATOM 894 CB PRO A 60 -0.196 -10.154 -0.094 1.00 0.00 C ATOM 895 CG PRO A 60 -1.585 -10.314 -0.688 1.00 0.00 C ATOM 896 CD PRO A 60 -2.516 -9.357 0.038 1.00 0.00 C ATOM 0 HA PRO A 60 0.324 -8.988 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.559 -10.095 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.061 -11.008 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.571 -10.096 -1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.932 -11.341 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.021 -8.690 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.292 -9.896 0.582 1.00 0.00 H new ATOM 904 N ALA A 61 1.546 -7.256 0.579 1.00 0.00 N ATOM 905 CA ALA A 61 2.286 -6.140 0.013 1.00 0.00 C ATOM 906 C ALA A 61 2.954 -6.585 -1.289 1.00 0.00 C ATOM 907 O ALA A 61 3.326 -5.753 -2.115 1.00 0.00 O ATOM 908 CB ALA A 61 3.295 -5.624 1.041 1.00 0.00 C ATOM 0 H ALA A 61 1.956 -7.656 1.423 1.00 0.00 H new ATOM 0 HA ALA A 61 1.615 -5.315 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.850 -4.787 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.767 -5.293 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.988 -6.423 1.304 1.00 0.00 H new ATOM 914 N SER A 62 3.087 -7.895 -1.431 1.00 0.00 N ATOM 915 CA SER A 62 3.705 -8.461 -2.618 1.00 0.00 C ATOM 916 C SER A 62 2.842 -8.167 -3.847 1.00 0.00 C ATOM 917 O SER A 62 3.274 -8.381 -4.979 1.00 0.00 O ATOM 918 CB SER A 62 3.915 -9.968 -2.465 1.00 0.00 C ATOM 919 OG SER A 62 5.026 -10.270 -1.625 1.00 0.00 O ATOM 0 H SER A 62 2.777 -8.582 -0.743 1.00 0.00 H new ATOM 0 HA SER A 62 4.683 -7.998 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.014 -10.419 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.072 -10.414 -3.447 1.00 0.00 H new ATOM 0 HG SER A 62 5.126 -11.242 -1.551 1.00 0.00 H new ATOM 925 N HIS A 63 1.638 -7.682 -3.583 1.00 0.00 N ATOM 926 CA HIS A 63 0.710 -7.357 -4.653 1.00 0.00 C ATOM 927 C HIS A 63 0.807 -5.866 -4.981 1.00 0.00 C ATOM 928 O HIS A 63 0.440 -5.442 -6.075 1.00 0.00 O ATOM 929 CB HIS A 63 -0.711 -7.794 -4.292 1.00 0.00 C ATOM 930 CG HIS A 63 -1.027 -9.223 -4.664 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.730 -9.562 -5.807 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.729 -10.395 -4.033 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.844 -10.881 -5.851 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.224 -11.395 -4.751 1.00 0.00 N ATOM 0 H HIS A 63 1.283 -7.506 -2.643 1.00 0.00 H new ATOM 0 HA HIS A 63 0.979 -7.910 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.858 -7.668 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.421 -7.134 -4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.183 -10.492 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.341 -11.450 -6.623 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.152 -12.385 -4.518 1.00 0.00 H new ATOM 942 N VAL A 64 1.304 -5.111 -4.012 1.00 0.00 N ATOM 943 CA VAL A 64 1.453 -3.676 -4.184 1.00 0.00 C ATOM 944 C VAL A 64 2.941 -3.318 -4.175 1.00 0.00 C ATOM 945 O VAL A 64 3.786 -4.169 -3.904 1.00 0.00 O ATOM 946 CB VAL A 64 0.654 -2.934 -3.111 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.679 -3.634 -2.838 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.468 -2.786 -1.824 1.00 0.00 C ATOM 0 H VAL A 64 1.608 -5.466 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 64 1.048 -3.363 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 64 0.437 -1.934 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.227 -3.086 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.269 -3.664 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.492 -4.651 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.876 -2.255 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.730 -3.773 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.379 -2.224 -2.032 1.00 0.00 H new ATOM 958 N LYS A 65 3.215 -2.056 -4.474 1.00 0.00 N ATOM 959 CA LYS A 65 4.586 -1.575 -4.504 1.00 0.00 C ATOM 960 C LYS A 65 4.630 -0.142 -3.972 1.00 0.00 C ATOM 961 O LYS A 65 3.918 0.731 -4.468 1.00 0.00 O ATOM 962 CB LYS A 65 5.177 -1.730 -5.907 1.00 0.00 C ATOM 963 CG LYS A 65 6.252 -0.672 -6.168 1.00 0.00 C ATOM 964 CD LYS A 65 6.798 -0.785 -7.593 1.00 0.00 C ATOM 965 CE LYS A 65 6.374 0.416 -8.440 1.00 0.00 C ATOM 966 NZ LYS A 65 4.961 0.282 -8.859 1.00 0.00 N ATOM 0 H LYS A 65 2.511 -1.352 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 65 5.216 -2.177 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.607 -2.726 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.385 -1.641 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.834 0.323 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.066 -0.791 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.886 -0.849 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.436 -1.705 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.504 1.335 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.014 0.493 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.690 1.106 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.846 -0.585 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.353 0.231 -8.017 1.00 0.00 H new ATOM 980 N LEU A 66 5.474 0.058 -2.970 1.00 0.00 N ATOM 981 CA LEU A 66 5.620 1.371 -2.365 1.00 0.00 C ATOM 982 C LEU A 66 5.954 2.394 -3.453 1.00 0.00 C ATOM 983 O LEU A 66 6.810 2.147 -4.302 1.00 0.00 O ATOM 984 CB LEU A 66 6.644 1.327 -1.229 1.00 0.00 C ATOM 985 CG LEU A 66 6.077 1.107 0.175 1.00 0.00 C ATOM 986 CD1 LEU A 66 7.173 1.239 1.235 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.902 2.048 0.446 1.00 0.00 C ATOM 0 H LEU A 66 6.064 -0.667 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 66 4.682 1.685 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.358 0.531 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.201 2.264 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 66 5.693 0.088 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.744 1.078 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.949 0.496 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.608 2.237 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.518 1.871 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.237 3.082 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.112 1.863 -0.282 1.00 0.00 H new ATOM 999 N LEU A 67 5.260 3.522 -3.393 1.00 0.00 N ATOM 1000 CA LEU A 67 5.472 4.583 -4.362 1.00 0.00 C ATOM 1001 C LEU A 67 6.546 5.539 -3.839 1.00 0.00 C ATOM 1002 O LEU A 67 6.700 6.646 -4.353 1.00 0.00 O ATOM 1003 CB LEU A 67 4.148 5.272 -4.700 1.00 0.00 C ATOM 1004 CG LEU A 67 3.198 4.489 -5.609 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.160 5.416 -6.245 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.974 3.692 -6.658 1.00 0.00 C ATOM 0 H LEU A 67 4.551 3.723 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 67 5.841 4.172 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.628 5.493 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.369 6.227 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 67 2.655 3.769 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.497 4.835 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.576 5.899 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.667 6.175 -6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.275 3.145 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.561 4.374 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.640 2.987 -6.160 1.00 0.00 H new