USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 294 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 Single : A 8 GLN : amide:sc= -3.16! C(o=-3.2!,f=-7.3!) USER MOD Single : A 22 THR OG1 : rot -13:sc= 0.285 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.165) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N ILE A 6 2.130 3.984 7.848 1.00 0.00 N ATOM 65 CA ILE A 6 1.350 4.382 6.703 1.00 0.00 C ATOM 66 C ILE A 6 0.344 5.458 7.119 1.00 0.00 C ATOM 67 O ILE A 6 0.163 6.454 6.434 1.00 0.00 O ATOM 68 CB ILE A 6 0.624 3.150 6.142 1.00 0.00 C ATOM 69 CG1 ILE A 6 1.587 2.314 5.287 1.00 0.00 C ATOM 70 CG2 ILE A 6 -0.564 3.591 5.293 1.00 0.00 C ATOM 71 CD1 ILE A 6 2.854 2.009 6.088 1.00 0.00 C ATOM 0 HA ILE A 6 1.999 4.795 5.931 1.00 0.00 H new ATOM 0 HB ILE A 6 0.267 2.542 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.105 1.385 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.842 2.855 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.075 2.713 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.256 4.168 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.211 4.208 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.536 1.416 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.340 2.943 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.591 1.451 6.986 1.00 0.00 H new ATOM 83 N TRP A 7 -0.312 5.250 8.243 1.00 0.00 N ATOM 84 CA TRP A 7 -1.287 6.222 8.708 1.00 0.00 C ATOM 85 C TRP A 7 -0.603 7.550 8.994 1.00 0.00 C ATOM 86 O TRP A 7 -1.082 8.600 8.576 1.00 0.00 O ATOM 87 CB TRP A 7 -1.975 5.705 9.990 1.00 0.00 C ATOM 88 CG TRP A 7 -3.206 4.940 9.641 1.00 0.00 C ATOM 89 CD1 TRP A 7 -3.378 3.614 9.815 1.00 0.00 C ATOM 90 CD2 TRP A 7 -4.435 5.447 9.061 1.00 0.00 C ATOM 91 NE1 TRP A 7 -4.646 3.270 9.374 1.00 0.00 N ATOM 92 CE2 TRP A 7 -5.336 4.372 8.899 1.00 0.00 C ATOM 93 CE3 TRP A 7 -4.846 6.729 8.664 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -6.609 4.567 8.360 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -6.121 6.930 8.123 1.00 0.00 C ATOM 96 CH2 TRP A 7 -7.001 5.852 7.971 1.00 0.00 C ATOM 0 H TRP A 7 -0.193 4.434 8.843 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.038 6.367 7.931 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.289 5.068 10.548 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.231 6.544 10.638 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.649 2.933 10.229 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.024 2.323 9.397 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.173 7.566 8.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.285 3.733 8.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.427 7.921 7.822 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.984 6.013 7.553 1.00 0.00 H new ATOM 107 N GLN A 8 0.515 7.497 9.701 1.00 0.00 N ATOM 108 CA GLN A 8 1.238 8.707 10.040 1.00 0.00 C ATOM 109 C GLN A 8 1.752 9.375 8.777 1.00 0.00 C ATOM 110 O GLN A 8 1.709 10.598 8.651 1.00 0.00 O ATOM 111 CB GLN A 8 2.407 8.367 10.977 1.00 0.00 C ATOM 112 CG GLN A 8 1.902 8.221 12.419 1.00 0.00 C ATOM 113 CD GLN A 8 0.945 7.036 12.528 1.00 0.00 C ATOM 114 OE1 GLN A 8 -0.160 7.077 11.992 1.00 0.00 O ATOM 115 NE2 GLN A 8 1.311 5.975 13.196 1.00 0.00 N ATOM 0 H GLN A 8 0.937 6.635 10.048 1.00 0.00 H new ATOM 0 HA GLN A 8 0.565 9.397 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.884 7.441 10.655 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.164 9.150 10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.746 8.079 13.094 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.396 9.135 12.729 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.229 5.943 13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.679 5.178 13.274 1.00 0.00 H new ATOM 124 N LEU A 9 2.209 8.570 7.831 1.00 0.00 N ATOM 125 CA LEU A 9 2.697 9.105 6.571 1.00 0.00 C ATOM 126 C LEU A 9 1.533 9.655 5.740 1.00 0.00 C ATOM 127 O LEU A 9 1.681 10.652 5.040 1.00 0.00 O ATOM 128 CB LEU A 9 3.552 8.066 5.797 1.00 0.00 C ATOM 129 CG LEU A 9 2.754 7.408 4.657 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.581 8.383 3.452 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.479 6.139 4.182 1.00 0.00 C ATOM 0 H LEU A 9 2.252 7.554 7.910 1.00 0.00 H new ATOM 0 HA LEU A 9 3.366 9.939 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.436 8.555 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.903 7.298 6.486 1.00 0.00 H new ATOM 0 HG LEU A 9 1.766 7.153 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.013 7.889 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.047 9.275 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.562 8.667 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.911 5.676 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.474 6.402 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.567 5.438 5.012 1.00 0.00 H new ATOM 143 N LEU A 10 0.395 8.968 5.786 1.00 0.00 N ATOM 144 CA LEU A 10 -0.763 9.373 4.988 1.00 0.00 C ATOM 145 C LEU A 10 -1.253 10.747 5.404 1.00 0.00 C ATOM 146 O LEU A 10 -1.480 11.611 4.559 1.00 0.00 O ATOM 147 CB LEU A 10 -1.898 8.350 5.192 1.00 0.00 C ATOM 148 CG LEU A 10 -1.723 7.140 4.261 1.00 0.00 C ATOM 149 CD1 LEU A 10 -2.694 6.030 4.684 1.00 0.00 C ATOM 150 CD2 LEU A 10 -2.017 7.544 2.807 1.00 0.00 C ATOM 0 H LEU A 10 0.248 8.137 6.360 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.468 9.411 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.909 8.016 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.860 8.825 4.999 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.696 6.782 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.573 5.170 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.482 5.733 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.718 6.397 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.890 6.679 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.042 7.908 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.328 8.332 2.502 1.00 0.00 H new ATOM 162 N ILE A 11 -1.379 10.963 6.687 1.00 0.00 N ATOM 163 CA ILE A 11 -1.804 12.258 7.169 1.00 0.00 C ATOM 164 C ILE A 11 -0.745 13.280 6.842 1.00 0.00 C ATOM 165 O ILE A 11 -1.040 14.374 6.393 1.00 0.00 O ATOM 166 CB ILE A 11 -2.027 12.202 8.676 1.00 0.00 C ATOM 167 CG1 ILE A 11 -3.255 11.301 8.972 1.00 0.00 C ATOM 168 CG2 ILE A 11 -2.266 13.623 9.217 1.00 0.00 C ATOM 169 CD1 ILE A 11 -2.978 10.393 10.169 1.00 0.00 C ATOM 0 H ILE A 11 -1.197 10.270 7.413 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.740 12.538 6.686 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.147 11.785 9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.128 11.921 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.489 10.696 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.425 13.580 10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.397 14.245 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.146 14.052 8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.850 9.769 10.362 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.118 9.759 9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.767 11.003 11.047 1.00 0.00 H new ATOM 181 N ILE A 12 0.495 12.913 7.081 1.00 0.00 N ATOM 182 CA ILE A 12 1.587 13.813 6.830 1.00 0.00 C ATOM 183 C ILE A 12 1.691 14.153 5.344 1.00 0.00 C ATOM 184 O ILE A 12 1.886 15.311 4.975 1.00 0.00 O ATOM 185 CB ILE A 12 2.872 13.172 7.349 1.00 0.00 C ATOM 186 CG1 ILE A 12 2.893 13.246 8.879 1.00 0.00 C ATOM 187 CG2 ILE A 12 4.094 13.867 6.765 1.00 0.00 C ATOM 188 CD1 ILE A 12 4.008 12.354 9.422 1.00 0.00 C ATOM 0 H ILE A 12 0.766 12.001 7.447 1.00 0.00 H new ATOM 0 HA ILE A 12 1.416 14.754 7.353 1.00 0.00 H new ATOM 0 HB ILE A 12 2.900 12.128 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.049 14.276 9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.931 12.928 9.281 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.999 13.395 7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.074 13.786 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.085 14.919 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.020 12.409 10.511 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.833 11.324 9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.968 12.692 9.031 1.00 0.00 H new ATOM 200 N ALA A 13 1.569 13.141 4.505 1.00 0.00 N ATOM 201 CA ALA A 13 1.654 13.335 3.065 1.00 0.00 C ATOM 202 C ALA A 13 0.506 14.209 2.577 1.00 0.00 C ATOM 203 O ALA A 13 0.669 15.019 1.676 1.00 0.00 O ATOM 204 CB ALA A 13 1.625 11.985 2.358 1.00 0.00 C ATOM 0 H ALA A 13 1.411 12.176 4.793 1.00 0.00 H new ATOM 0 HA ALA A 13 2.593 13.838 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.689 12.137 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.470 11.382 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.695 11.469 2.597 1.00 0.00 H new ATOM 210 N VAL A 14 -0.664 14.044 3.158 1.00 0.00 N ATOM 211 CA VAL A 14 -1.795 14.853 2.744 1.00 0.00 C ATOM 212 C VAL A 14 -1.576 16.312 3.127 1.00 0.00 C ATOM 213 O VAL A 14 -1.813 17.194 2.326 1.00 0.00 O ATOM 214 CB VAL A 14 -3.082 14.317 3.384 1.00 0.00 C ATOM 215 CG1 VAL A 14 -4.245 15.279 3.113 1.00 0.00 C ATOM 216 CG2 VAL A 14 -3.413 12.927 2.805 1.00 0.00 C ATOM 0 H VAL A 14 -0.857 13.373 3.902 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.891 14.796 1.660 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.933 14.234 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.154 14.889 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.015 16.256 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.394 15.376 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.328 12.551 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.552 13.006 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.593 12.240 3.016 1.00 0.00 H new ATOM 226 N ILE A 15 -1.104 16.548 4.345 1.00 0.00 N ATOM 227 CA ILE A 15 -0.851 17.908 4.837 1.00 0.00 C ATOM 228 C ILE A 15 0.264 18.566 4.066 1.00 0.00 C ATOM 229 O ILE A 15 0.183 19.740 3.708 1.00 0.00 O ATOM 230 CB ILE A 15 -0.470 17.873 6.319 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.549 17.133 7.119 1.00 0.00 C ATOM 232 CG2 ILE A 15 -0.295 19.304 6.857 1.00 0.00 C ATOM 233 CD1 ILE A 15 -2.676 18.079 7.502 1.00 0.00 C ATOM 0 H ILE A 15 -0.886 15.814 5.018 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.767 18.483 4.701 1.00 0.00 H new ATOM 0 HB ILE A 15 0.476 17.343 6.428 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.945 16.307 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.110 16.700 8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.024 19.265 7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.493 19.809 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.230 19.853 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.431 17.535 8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.279 18.890 8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.127 18.492 6.600 1.00 0.00 H new ATOM 245 N VAL A 16 1.309 17.808 3.832 1.00 0.00 N ATOM 246 CA VAL A 16 2.451 18.324 3.124 1.00 0.00 C ATOM 247 C VAL A 16 2.049 18.682 1.727 1.00 0.00 C ATOM 248 O VAL A 16 2.535 19.650 1.155 1.00 0.00 O ATOM 249 CB VAL A 16 3.639 17.325 3.158 1.00 0.00 C ATOM 250 CG1 VAL A 16 3.589 16.429 1.936 1.00 0.00 C ATOM 251 CG2 VAL A 16 5.006 18.050 3.158 1.00 0.00 C ATOM 0 H VAL A 16 1.390 16.833 4.122 1.00 0.00 H new ATOM 0 HA VAL A 16 2.803 19.228 3.621 1.00 0.00 H new ATOM 0 HB VAL A 16 3.544 16.747 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.424 15.729 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.651 15.874 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.656 17.039 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.809 17.313 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.097 18.656 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.077 18.693 4.035 1.00 0.00 H new ATOM 261 N VAL A 17 1.209 17.889 1.139 1.00 0.00 N ATOM 262 CA VAL A 17 0.838 18.170 -0.201 1.00 0.00 C ATOM 263 C VAL A 17 0.065 19.476 -0.307 1.00 0.00 C ATOM 264 O VAL A 17 0.306 20.259 -1.224 1.00 0.00 O ATOM 265 CB VAL A 17 0.044 16.990 -0.769 1.00 0.00 C ATOM 266 CG1 VAL A 17 -0.477 17.329 -2.150 1.00 0.00 C ATOM 267 CG2 VAL A 17 0.955 15.762 -0.896 1.00 0.00 C ATOM 0 H VAL A 17 0.780 17.064 1.557 1.00 0.00 H new ATOM 0 HA VAL A 17 1.742 18.300 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.786 16.780 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.040 16.483 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.128 18.201 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.361 17.547 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.384 14.926 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.785 15.992 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.344 15.494 0.086 1.00 0.00 H new ATOM 277 N LEU A 18 -0.861 19.732 0.594 1.00 0.00 N ATOM 278 CA LEU A 18 -1.620 20.969 0.493 1.00 0.00 C ATOM 279 C LEU A 18 -0.717 22.202 0.629 1.00 0.00 C ATOM 280 O LEU A 18 -0.848 23.163 -0.126 1.00 0.00 O ATOM 281 CB LEU A 18 -2.668 21.030 1.589 1.00 0.00 C ATOM 282 CG LEU A 18 -3.508 19.759 1.617 1.00 0.00 C ATOM 283 CD1 LEU A 18 -4.640 19.932 2.607 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.073 19.456 0.225 1.00 0.00 C ATOM 0 H LEU A 18 -1.103 19.127 1.379 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.089 20.976 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.181 21.169 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.314 21.893 1.431 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.878 18.923 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.244 19.025 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.230 20.121 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.262 20.775 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.670 18.545 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.699 20.286 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.252 19.321 -0.479 1.00 0.00 H new ATOM 296 N LEU A 19 0.175 22.169 1.608 1.00 0.00 N ATOM 297 CA LEU A 19 1.082 23.289 1.866 1.00 0.00 C ATOM 298 C LEU A 19 2.096 23.491 0.750 1.00 0.00 C ATOM 299 O LEU A 19 2.434 24.625 0.413 1.00 0.00 O ATOM 300 CB LEU A 19 1.770 23.125 3.213 1.00 0.00 C ATOM 301 CG LEU A 19 2.543 21.814 3.294 1.00 0.00 C ATOM 302 CD1 LEU A 19 3.941 21.927 2.622 1.00 0.00 C ATOM 303 CD2 LEU A 19 2.702 21.424 4.779 1.00 0.00 C ATOM 0 H LEU A 19 0.294 21.378 2.241 1.00 0.00 H new ATOM 0 HA LEU A 19 0.473 24.192 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.451 23.960 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.026 23.159 4.009 1.00 0.00 H new ATOM 0 HG LEU A 19 1.985 21.047 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.461 20.972 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.819 22.188 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.524 22.700 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.254 20.487 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.247 22.208 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.717 21.301 5.230 1.00 0.00 H new ATOM 315 N PHE A 20 2.598 22.401 0.190 1.00 0.00 N ATOM 316 CA PHE A 20 3.593 22.514 -0.867 1.00 0.00 C ATOM 317 C PHE A 20 2.926 23.115 -2.086 1.00 0.00 C ATOM 318 O PHE A 20 3.549 23.839 -2.861 1.00 0.00 O ATOM 319 CB PHE A 20 4.163 21.119 -1.212 1.00 0.00 C ATOM 320 CG PHE A 20 5.519 20.935 -0.574 1.00 0.00 C ATOM 321 CD1 PHE A 20 6.577 21.750 -0.977 1.00 0.00 C ATOM 322 CD2 PHE A 20 5.722 19.949 0.395 1.00 0.00 C ATOM 323 CE1 PHE A 20 7.842 21.589 -0.409 1.00 0.00 C ATOM 324 CE2 PHE A 20 6.990 19.784 0.961 1.00 0.00 C ATOM 325 CZ PHE A 20 8.051 20.604 0.559 1.00 0.00 C ATOM 0 H PHE A 20 2.340 21.447 0.442 1.00 0.00 H new ATOM 0 HA PHE A 20 4.415 23.149 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.481 20.344 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.244 21.009 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.417 22.507 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.903 19.317 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.658 22.225 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.151 19.022 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.030 20.475 0.997 1.00 0.00 H new ATOM 335 N GLY A 21 1.650 22.823 -2.231 1.00 0.00 N ATOM 336 CA GLY A 21 0.886 23.353 -3.351 1.00 0.00 C ATOM 337 C GLY A 21 0.979 22.403 -4.515 1.00 0.00 C ATOM 338 O GLY A 21 0.524 22.694 -5.620 1.00 0.00 O ATOM 0 H GLY A 21 1.120 22.227 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.156 23.490 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.270 24.333 -3.636 1.00 0.00 H new ATOM 342 N THR A 22 1.551 21.246 -4.233 1.00 0.00 N ATOM 343 CA THR A 22 1.683 20.201 -5.236 1.00 0.00 C ATOM 344 C THR A 22 2.424 20.676 -6.464 1.00 0.00 C ATOM 345 O THR A 22 2.400 20.027 -7.509 1.00 0.00 O ATOM 346 CB THR A 22 0.293 19.717 -5.606 1.00 0.00 C ATOM 347 OG1 THR A 22 -0.337 20.673 -6.449 1.00 0.00 O ATOM 348 CG2 THR A 22 -0.522 19.544 -4.312 1.00 0.00 C ATOM 0 H THR A 22 1.932 21.005 -3.318 1.00 0.00 H new ATOM 0 HA THR A 22 2.273 19.386 -4.817 1.00 0.00 H new ATOM 0 HB THR A 22 0.354 18.767 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.175 21.509 -6.435 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.525 19.196 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.032 18.813 -3.668 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.587 20.500 -3.792 1.00 0.00 H new ATOM 356 N LYS A 23 3.101 21.801 -6.331 1.00 0.00 N ATOM 357 CA LYS A 23 3.869 22.339 -7.440 1.00 0.00 C ATOM 358 C LYS A 23 5.228 21.651 -7.505 1.00 0.00 C ATOM 359 O LYS A 23 5.697 21.262 -8.574 1.00 0.00 O ATOM 360 CB LYS A 23 4.042 23.857 -7.268 1.00 0.00 C ATOM 361 CG LYS A 23 4.267 24.201 -5.792 1.00 0.00 C ATOM 362 CD LYS A 23 4.699 25.668 -5.665 1.00 0.00 C ATOM 363 CE LYS A 23 3.527 26.587 -6.027 1.00 0.00 C ATOM 364 NZ LYS A 23 3.840 27.979 -5.604 1.00 0.00 N ATOM 0 H LYS A 23 3.136 22.356 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 23 3.337 22.153 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.887 24.204 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.158 24.375 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.352 24.031 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.031 23.549 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.032 25.872 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.545 25.866 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.343 26.554 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.616 26.243 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.045 28.603 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.995 28.003 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.699 28.305 -6.091 1.00 0.00 H new ATOM 378 N LYS A 24 5.844 21.507 -6.341 1.00 0.00 N ATOM 379 CA LYS A 24 7.146 20.869 -6.229 1.00 0.00 C ATOM 380 C LYS A 24 7.083 19.386 -6.543 1.00 0.00 C ATOM 381 O LYS A 24 7.918 18.863 -7.245 1.00 0.00 O ATOM 382 CB LYS A 24 7.662 21.062 -4.807 1.00 0.00 C ATOM 383 CG LYS A 24 7.987 22.549 -4.571 1.00 0.00 C ATOM 384 CD LYS A 24 9.441 22.838 -4.971 1.00 0.00 C ATOM 385 CE LYS A 24 10.399 22.368 -3.859 1.00 0.00 C ATOM 386 NZ LYS A 24 10.868 23.551 -3.086 1.00 0.00 N ATOM 0 H LYS A 24 5.458 21.827 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 24 7.816 21.330 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.914 20.725 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.553 20.455 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.310 23.175 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.833 22.802 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.678 22.328 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.572 23.905 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.892 21.665 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.249 21.842 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.515 23.240 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.366 24.206 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.051 24.035 -2.662 1.00 0.00 H new ATOM 400 N LEU A 25 6.084 18.722 -6.020 1.00 0.00 N ATOM 401 CA LEU A 25 5.929 17.286 -6.230 1.00 0.00 C ATOM 402 C LEU A 25 5.871 16.973 -7.686 1.00 0.00 C ATOM 403 O LEU A 25 6.335 15.938 -8.143 1.00 0.00 O ATOM 404 CB LEU A 25 4.634 16.806 -5.638 1.00 0.00 C ATOM 405 CG LEU A 25 4.733 16.893 -4.101 1.00 0.00 C ATOM 406 CD1 LEU A 25 4.811 18.343 -3.599 1.00 0.00 C ATOM 407 CD2 LEU A 25 3.558 16.190 -3.443 1.00 0.00 C ATOM 0 H LEU A 25 5.358 19.145 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 25 6.782 16.798 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.805 17.415 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.434 15.780 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 25 5.660 16.393 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.879 18.348 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.692 18.827 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.917 18.884 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.650 16.265 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.628 16.660 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.552 15.140 -3.735 1.00 0.00 H new ATOM 463 N SER A 30 8.991 14.032 -10.124 1.00 0.00 N ATOM 464 CA SER A 30 9.467 13.456 -11.370 1.00 0.00 C ATOM 465 C SER A 30 10.921 13.027 -11.264 1.00 0.00 C ATOM 466 O SER A 30 11.293 11.938 -11.705 1.00 0.00 O ATOM 467 CB SER A 30 9.296 14.451 -12.516 1.00 0.00 C ATOM 468 OG SER A 30 9.742 13.855 -13.727 1.00 0.00 O ATOM 0 HA SER A 30 8.868 12.569 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.250 14.744 -12.605 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.865 15.358 -12.313 1.00 0.00 H new ATOM 0 HG SER A 30 9.632 14.491 -14.464 1.00 0.00 H new ATOM 474 N ASP A 31 11.740 13.879 -10.673 1.00 0.00 N ATOM 475 CA ASP A 31 13.146 13.569 -10.511 1.00 0.00 C ATOM 476 C ASP A 31 13.317 12.574 -9.383 1.00 0.00 C ATOM 477 O ASP A 31 14.067 11.605 -9.492 1.00 0.00 O ATOM 478 CB ASP A 31 13.926 14.844 -10.187 1.00 0.00 C ATOM 479 CG ASP A 31 13.953 15.764 -11.405 1.00 0.00 C ATOM 480 OD1 ASP A 31 13.632 15.294 -12.484 1.00 0.00 O ATOM 481 OD2 ASP A 31 14.293 16.924 -11.239 1.00 0.00 O ATOM 0 H ASP A 31 11.456 14.785 -10.300 1.00 0.00 H new ATOM 0 HA ASP A 31 13.527 13.141 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.465 15.358 -9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.944 14.592 -9.889 1.00 0.00 H new ATOM 486 N LEU A 32 12.614 12.842 -8.296 1.00 0.00 N ATOM 487 CA LEU A 32 12.677 11.992 -7.124 1.00 0.00 C ATOM 488 C LEU A 32 12.067 10.630 -7.383 1.00 0.00 C ATOM 489 O LEU A 32 12.618 9.609 -6.993 1.00 0.00 O ATOM 490 CB LEU A 32 11.964 12.678 -5.948 1.00 0.00 C ATOM 491 CG LEU A 32 12.949 13.579 -5.196 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.554 14.612 -6.151 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.263 14.271 -3.990 1.00 0.00 C ATOM 0 H LEU A 32 11.992 13.645 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 32 13.727 11.838 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.124 13.269 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.555 11.928 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 32 13.754 12.958 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.252 15.247 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.082 14.099 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.759 15.227 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.985 14.904 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.433 14.882 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.888 13.514 -3.301 1.00 0.00 H new ATOM 505 N GLY A 33 10.933 10.607 -8.035 1.00 0.00 N ATOM 506 CA GLY A 33 10.301 9.339 -8.305 1.00 0.00 C ATOM 507 C GLY A 33 11.201 8.494 -9.184 1.00 0.00 C ATOM 508 O GLY A 33 11.380 7.301 -8.948 1.00 0.00 O ATOM 0 H GLY A 33 10.437 11.428 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.097 8.818 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.342 9.498 -8.797 1.00 0.00 H new ATOM 512 N ALA A 34 11.769 9.131 -10.196 1.00 0.00 N ATOM 513 CA ALA A 34 12.666 8.450 -11.113 1.00 0.00 C ATOM 514 C ALA A 34 13.995 8.120 -10.443 1.00 0.00 C ATOM 515 O ALA A 34 14.566 7.054 -10.672 1.00 0.00 O ATOM 516 CB ALA A 34 12.911 9.309 -12.348 1.00 0.00 C ATOM 0 H ALA A 34 11.624 10.119 -10.402 1.00 0.00 H new ATOM 0 HA ALA A 34 12.191 7.516 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.585 8.786 -13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.964 9.499 -12.853 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.360 10.256 -12.049 1.00 0.00 H new ATOM 522 N SER A 35 14.501 9.049 -9.641 1.00 0.00 N ATOM 523 CA SER A 35 15.783 8.841 -8.974 1.00 0.00 C ATOM 524 C SER A 35 15.715 7.671 -8.012 1.00 0.00 C ATOM 525 O SER A 35 16.637 6.858 -7.929 1.00 0.00 O ATOM 526 CB SER A 35 16.195 10.111 -8.224 1.00 0.00 C ATOM 527 OG SER A 35 17.459 9.904 -7.609 1.00 0.00 O ATOM 0 H SER A 35 14.052 9.942 -9.438 1.00 0.00 H new ATOM 0 HA SER A 35 16.529 8.613 -9.735 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.247 10.954 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.448 10.361 -7.471 1.00 0.00 H new ATOM 0 HG SER A 35 17.726 10.716 -7.129 1.00 0.00 H new ATOM 533 N ILE A 36 14.624 7.594 -7.286 1.00 0.00 N ATOM 534 CA ILE A 36 14.427 6.532 -6.322 1.00 0.00 C ATOM 535 C ILE A 36 14.226 5.212 -7.019 1.00 0.00 C ATOM 536 O ILE A 36 14.731 4.187 -6.574 1.00 0.00 O ATOM 537 CB ILE A 36 13.229 6.897 -5.435 1.00 0.00 C ATOM 538 CG1 ILE A 36 13.714 7.708 -4.230 1.00 0.00 C ATOM 539 CG2 ILE A 36 12.496 5.650 -4.921 1.00 0.00 C ATOM 540 CD1 ILE A 36 14.658 8.840 -4.656 1.00 0.00 C ATOM 0 H ILE A 36 13.853 8.259 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 36 15.312 6.424 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 36 12.536 7.479 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.857 8.127 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.227 7.049 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.655 5.953 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.129 5.069 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.183 5.041 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.982 9.394 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.528 8.418 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.136 9.513 -5.336 1.00 0.00 H new ATOM 552 N LYS A 37 13.489 5.228 -8.100 1.00 0.00 N ATOM 553 CA LYS A 37 13.260 3.994 -8.802 1.00 0.00 C ATOM 554 C LYS A 37 14.621 3.452 -9.236 1.00 0.00 C ATOM 555 O LYS A 37 14.903 2.265 -9.099 1.00 0.00 O ATOM 556 CB LYS A 37 12.296 4.237 -10.002 1.00 0.00 C ATOM 557 CG LYS A 37 13.046 4.189 -11.342 1.00 0.00 C ATOM 558 CD LYS A 37 12.093 4.451 -12.505 1.00 0.00 C ATOM 559 CE LYS A 37 12.889 4.346 -13.808 1.00 0.00 C ATOM 560 NZ LYS A 37 11.984 4.552 -14.971 1.00 0.00 N ATOM 0 H LYS A 37 13.049 6.055 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 37 12.775 3.253 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.509 3.483 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.810 5.206 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.843 4.932 -11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.518 3.214 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.277 3.728 -12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.643 5.440 -12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.685 5.090 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.366 3.368 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.530 4.480 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.239 3.826 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.549 5.495 -14.910 1.00 0.00 H new ATOM 574 N GLY A 38 15.463 4.349 -9.728 1.00 0.00 N ATOM 575 CA GLY A 38 16.799 3.979 -10.150 1.00 0.00 C ATOM 576 C GLY A 38 17.627 3.534 -8.953 1.00 0.00 C ATOM 577 O GLY A 38 18.449 2.625 -9.058 1.00 0.00 O ATOM 0 H GLY A 38 15.241 5.338 -9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 38 16.746 3.174 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.281 4.826 -10.639 1.00 0.00 H new ATOM 581 N PHE A 39 17.413 4.192 -7.813 1.00 0.00 N ATOM 582 CA PHE A 39 18.158 3.860 -6.612 1.00 0.00 C ATOM 583 C PHE A 39 17.698 2.524 -6.064 1.00 0.00 C ATOM 584 O PHE A 39 18.508 1.624 -5.831 1.00 0.00 O ATOM 585 CB PHE A 39 17.986 4.967 -5.558 1.00 0.00 C ATOM 586 CG PHE A 39 19.136 4.924 -4.569 1.00 0.00 C ATOM 587 CD1 PHE A 39 20.447 5.169 -5.010 1.00 0.00 C ATOM 588 CD2 PHE A 39 18.897 4.637 -3.219 1.00 0.00 C ATOM 589 CE1 PHE A 39 21.512 5.125 -4.101 1.00 0.00 C ATOM 590 CE2 PHE A 39 19.965 4.596 -2.311 1.00 0.00 C ATOM 591 CZ PHE A 39 21.272 4.838 -2.754 1.00 0.00 C ATOM 0 H PHE A 39 16.737 4.948 -7.702 1.00 0.00 H new ATOM 0 HA PHE A 39 19.216 3.784 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.950 5.942 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 39 17.039 4.838 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.634 5.391 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.890 4.447 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 39 22.520 5.313 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 39 19.780 4.378 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 39 22.094 4.803 -2.055 1.00 0.00 H new ATOM 601 N LYS A 40 16.398 2.387 -5.883 1.00 0.00 N ATOM 602 CA LYS A 40 15.846 1.138 -5.387 1.00 0.00 C ATOM 603 C LYS A 40 16.096 0.020 -6.379 1.00 0.00 C ATOM 604 O LYS A 40 16.393 -1.107 -5.993 1.00 0.00 O ATOM 605 CB LYS A 40 14.352 1.282 -5.123 1.00 0.00 C ATOM 606 CG LYS A 40 14.123 2.344 -4.043 1.00 0.00 C ATOM 607 CD LYS A 40 14.626 1.850 -2.678 1.00 0.00 C ATOM 608 CE LYS A 40 13.959 2.653 -1.556 1.00 0.00 C ATOM 609 NZ LYS A 40 14.374 4.080 -1.655 1.00 0.00 N ATOM 0 H LYS A 40 15.710 3.116 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 40 16.343 0.891 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.836 1.564 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.935 0.327 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.641 3.264 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.061 2.582 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.403 0.790 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.709 1.957 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.875 2.572 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.243 2.247 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.329 4.521 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.347 4.134 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.735 4.583 -2.303 1.00 0.00 H new ATOM 623 N LYS A 41 15.976 0.329 -7.658 1.00 0.00 N ATOM 624 CA LYS A 41 16.203 -0.680 -8.674 1.00 0.00 C ATOM 625 C LYS A 41 17.634 -1.189 -8.596 1.00 0.00 C ATOM 626 O LYS A 41 17.895 -2.372 -8.808 1.00 0.00 O ATOM 627 CB LYS A 41 15.919 -0.125 -10.076 1.00 0.00 C ATOM 628 CG LYS A 41 16.146 -1.220 -11.126 1.00 0.00 C ATOM 629 CD LYS A 41 15.814 -0.672 -12.515 1.00 0.00 C ATOM 630 CE LYS A 41 16.026 -1.771 -13.560 1.00 0.00 C ATOM 631 NZ LYS A 41 15.690 -1.243 -14.913 1.00 0.00 N ATOM 0 H LYS A 41 15.727 1.253 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 41 15.517 -1.507 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.893 0.238 -10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.569 0.726 -10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.181 -1.559 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.521 -2.085 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.782 -0.323 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.447 0.186 -12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.061 -2.113 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.400 -2.633 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.834 -1.990 -15.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.696 -0.937 -14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.305 -0.434 -15.132 1.00 0.00 H new ATOM 645 N ALA A 42 18.560 -0.289 -8.295 1.00 0.00 N ATOM 646 CA ALA A 42 19.961 -0.671 -8.202 1.00 0.00 C ATOM 647 C ALA A 42 20.189 -1.610 -7.022 1.00 0.00 C ATOM 648 O ALA A 42 21.001 -2.533 -7.103 1.00 0.00 O ATOM 649 CB ALA A 42 20.847 0.572 -8.064 1.00 0.00 C ATOM 0 H ALA A 42 18.370 0.697 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 42 20.231 -1.196 -9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.892 0.268 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.712 1.214 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.569 1.119 -7.163 1.00 0.00 H new