USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 1 ASP N :NH3+ -122:sc= 0.143 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -5:sc= -8.45! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -12.8! C(o=-13!,f=-16!) USER MOD Single : A 23 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.15! C(o=-4.2!,f=-6.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 36 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.5!) USER MOD Single : A 38 GLN : amide:sc= -0.071 K(o=-0.071,f=-0.75) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.709) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.155 12.762 0.746 1.00 0.00 N ATOM 2 CA ASP A 1 -8.407 11.400 1.296 1.00 0.00 C ATOM 3 C ASP A 1 -7.206 10.500 1.001 1.00 0.00 C ATOM 4 O ASP A 1 -6.246 10.914 0.382 1.00 0.00 O ATOM 5 CB ASP A 1 -9.661 10.812 0.644 1.00 0.00 C ATOM 6 CG ASP A 1 -10.900 11.288 1.401 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.246 10.658 2.387 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.480 12.277 0.984 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.213 13.462 1.513 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.207 12.794 0.319 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.869 12.982 0.022 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.554 11.464 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.719 11.120 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.612 9.723 0.653 1.00 0.00 H new ATOM 15 N SER A 2 -7.253 9.272 1.440 1.00 0.00 N ATOM 16 CA SER A 2 -6.113 8.347 1.188 1.00 0.00 C ATOM 17 C SER A 2 -6.547 7.249 0.216 1.00 0.00 C ATOM 18 O SER A 2 -7.702 6.876 0.164 1.00 0.00 O ATOM 19 CB SER A 2 -5.677 7.707 2.505 1.00 0.00 C ATOM 20 OG SER A 2 -6.524 6.600 2.793 1.00 0.00 O ATOM 0 H SER A 2 -8.031 8.870 1.962 1.00 0.00 H new ATOM 0 HA SER A 2 -5.283 8.908 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.640 7.378 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.727 8.438 3.312 1.00 0.00 H new ATOM 0 HG SER A 2 -6.246 6.186 3.637 1.00 0.00 H new ATOM 26 N ILE A 3 -5.629 6.726 -0.546 1.00 0.00 N ATOM 27 CA ILE A 3 -5.984 5.653 -1.501 1.00 0.00 C ATOM 28 C ILE A 3 -5.785 4.295 -0.828 1.00 0.00 C ATOM 29 O ILE A 3 -4.825 4.079 -0.118 1.00 0.00 O ATOM 30 CB ILE A 3 -5.085 5.738 -2.737 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.338 7.052 -3.478 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.389 4.565 -3.674 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.513 7.072 -4.769 1.00 0.00 C ATOM 0 H ILE A 3 -4.646 6.999 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.025 5.770 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.043 5.697 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.398 7.154 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.066 7.897 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.748 4.627 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.202 3.626 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.434 4.607 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.691 8.007 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.454 6.989 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.807 6.234 -5.401 1.00 0.00 H new ATOM 45 N THR A 4 -6.678 3.377 -1.052 1.00 0.00 N ATOM 46 CA THR A 4 -6.535 2.029 -0.439 1.00 0.00 C ATOM 47 C THR A 4 -6.733 0.981 -1.531 1.00 0.00 C ATOM 48 O THR A 4 -7.799 0.866 -2.099 1.00 0.00 O ATOM 49 CB THR A 4 -7.591 1.843 0.651 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.699 3.039 1.411 1.00 0.00 O ATOM 51 CG2 THR A 4 -7.185 0.687 1.566 1.00 0.00 C ATOM 0 H THR A 4 -7.505 3.502 -1.636 1.00 0.00 H new ATOM 0 HA THR A 4 -5.547 1.923 0.008 1.00 0.00 H new ATOM 0 HB THR A 4 -8.553 1.616 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.377 2.923 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.939 0.556 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.103 -0.229 0.981 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.223 0.909 2.028 1.00 0.00 H new ATOM 59 N TYR A 5 -5.714 0.231 -1.852 1.00 0.00 N ATOM 60 CA TYR A 5 -5.868 -0.781 -2.931 1.00 0.00 C ATOM 61 C TYR A 5 -5.655 -2.186 -2.388 1.00 0.00 C ATOM 62 O TYR A 5 -4.777 -2.432 -1.590 1.00 0.00 O ATOM 63 CB TYR A 5 -4.869 -0.478 -4.050 1.00 0.00 C ATOM 64 CG TYR A 5 -3.566 -1.234 -3.881 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.475 -2.596 -4.208 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.423 -0.547 -3.456 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.255 -3.257 -4.104 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.199 -1.213 -3.365 1.00 0.00 C ATOM 69 CZ TYR A 5 -1.119 -2.568 -3.689 1.00 0.00 C ATOM 70 OH TYR A 5 0.083 -3.226 -3.610 1.00 0.00 O ATOM 0 H TYR A 5 -4.792 0.275 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.882 -0.730 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.314 -0.737 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.665 0.592 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.352 -3.131 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.488 0.500 -3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.189 -4.308 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.316 -0.680 -3.044 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.052 -4.178 -3.799 1.00 0.00 H new ATOM 80 N ARG A 6 -6.457 -3.114 -2.823 1.00 0.00 N ATOM 81 CA ARG A 6 -6.301 -4.503 -2.338 1.00 0.00 C ATOM 82 C ARG A 6 -5.319 -5.239 -3.236 1.00 0.00 C ATOM 83 O ARG A 6 -5.487 -5.324 -4.437 1.00 0.00 O ATOM 84 CB ARG A 6 -7.652 -5.217 -2.346 1.00 0.00 C ATOM 85 CG ARG A 6 -8.257 -5.172 -0.942 1.00 0.00 C ATOM 86 CD ARG A 6 -9.060 -6.448 -0.689 1.00 0.00 C ATOM 87 NE ARG A 6 -9.785 -6.328 0.607 1.00 0.00 N ATOM 88 CZ ARG A 6 -10.672 -5.384 0.773 1.00 0.00 C ATOM 89 NH1 ARG A 6 -10.333 -4.266 1.354 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.896 -5.560 0.358 1.00 0.00 N ATOM 0 H ARG A 6 -7.212 -2.967 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.921 -4.489 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.324 -4.740 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.528 -6.251 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.467 -5.074 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.901 -4.299 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.769 -6.612 -1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.395 -7.311 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.589 -6.983 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.376 -4.130 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.025 -3.528 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.160 -6.435 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.589 -4.823 0.487 1.00 0.00 H new ATOM 104 N VAL A 7 -4.289 -5.758 -2.651 1.00 0.00 N ATOM 105 CA VAL A 7 -3.264 -6.485 -3.433 1.00 0.00 C ATOM 106 C VAL A 7 -3.770 -7.890 -3.733 1.00 0.00 C ATOM 107 O VAL A 7 -3.896 -8.710 -2.859 1.00 0.00 O ATOM 108 CB VAL A 7 -1.999 -6.550 -2.584 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.801 -6.925 -3.451 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.753 -5.177 -1.966 1.00 0.00 C ATOM 0 H VAL A 7 -4.109 -5.709 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.057 -5.981 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.125 -7.303 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.096 -6.968 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.974 -7.899 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.668 -6.176 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.851 -5.209 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.629 -4.438 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.603 -4.901 -1.342 1.00 0.00 H new ATOM 120 N ARG A 8 -4.066 -8.169 -4.967 1.00 0.00 N ATOM 121 CA ARG A 8 -4.575 -9.521 -5.332 1.00 0.00 C ATOM 122 C ARG A 8 -3.433 -10.353 -5.909 1.00 0.00 C ATOM 123 O ARG A 8 -2.428 -9.822 -6.327 1.00 0.00 O ATOM 124 CB ARG A 8 -5.686 -9.380 -6.372 1.00 0.00 C ATOM 125 CG ARG A 8 -6.553 -8.169 -6.024 1.00 0.00 C ATOM 126 CD ARG A 8 -7.827 -8.192 -6.867 1.00 0.00 C ATOM 127 NE ARG A 8 -8.451 -6.838 -6.857 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.544 -6.617 -7.535 1.00 0.00 C ATOM 129 NH1 ARG A 8 -10.534 -7.466 -7.477 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.649 -5.544 -8.270 1.00 0.00 N ATOM 0 H ARG A 8 -3.978 -7.516 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.971 -10.016 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.256 -9.260 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.295 -10.283 -6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.806 -8.183 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.000 -7.248 -6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.595 -8.490 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.525 -8.929 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.023 -6.084 -6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.454 -8.304 -6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.387 -7.291 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.877 -4.879 -8.314 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.503 -5.371 -8.800 1.00 0.00 H new ATOM 144 N LYS A 9 -3.569 -11.652 -5.933 1.00 0.00 N ATOM 145 CA LYS A 9 -2.473 -12.494 -6.490 1.00 0.00 C ATOM 146 C LYS A 9 -2.154 -12.012 -7.904 1.00 0.00 C ATOM 147 O LYS A 9 -3.034 -11.669 -8.668 1.00 0.00 O ATOM 148 CB LYS A 9 -2.907 -13.957 -6.546 1.00 0.00 C ATOM 149 CG LYS A 9 -2.831 -14.568 -5.146 1.00 0.00 C ATOM 150 CD LYS A 9 -2.787 -16.093 -5.256 1.00 0.00 C ATOM 151 CE LYS A 9 -2.114 -16.675 -4.012 1.00 0.00 C ATOM 152 NZ LYS A 9 -2.027 -18.157 -4.142 1.00 0.00 N ATOM 0 H LYS A 9 -4.385 -12.162 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.593 -12.410 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.924 -14.031 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.266 -14.511 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.944 -14.205 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.694 -14.260 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.797 -16.490 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.239 -16.388 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.117 -16.251 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.682 -16.410 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.569 -18.553 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.984 -18.554 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.467 -18.399 -4.984 1.00 0.00 H new ATOM 166 N GLY A 10 -0.899 -11.963 -8.248 1.00 0.00 N ATOM 167 CA GLY A 10 -0.519 -11.479 -9.604 1.00 0.00 C ATOM 168 C GLY A 10 -0.417 -9.946 -9.599 1.00 0.00 C ATOM 169 O GLY A 10 -0.040 -9.342 -10.584 1.00 0.00 O ATOM 0 H GLY A 10 -0.120 -12.237 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.434 -11.915 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.260 -11.801 -10.336 1.00 0.00 H new ATOM 173 N ASP A 11 -0.744 -9.307 -8.502 1.00 0.00 N ATOM 174 CA ASP A 11 -0.659 -7.819 -8.450 1.00 0.00 C ATOM 175 C ASP A 11 0.741 -7.417 -8.002 1.00 0.00 C ATOM 176 O ASP A 11 1.327 -8.038 -7.137 1.00 0.00 O ATOM 177 CB ASP A 11 -1.682 -7.270 -7.452 1.00 0.00 C ATOM 178 CG ASP A 11 -3.090 -7.355 -8.049 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.318 -8.230 -8.867 1.00 0.00 O ATOM 180 OD2 ASP A 11 -3.919 -6.543 -7.673 1.00 0.00 O ATOM 0 H ASP A 11 -1.065 -9.753 -7.643 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.869 -7.412 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.637 -7.837 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.444 -6.235 -7.206 1.00 0.00 H new ATOM 185 N SER A 12 1.280 -6.381 -8.576 1.00 0.00 N ATOM 186 CA SER A 12 2.641 -5.938 -8.172 1.00 0.00 C ATOM 187 C SER A 12 2.532 -4.566 -7.516 1.00 0.00 C ATOM 188 O SER A 12 1.830 -3.708 -7.990 1.00 0.00 O ATOM 189 CB SER A 12 3.542 -5.850 -9.402 1.00 0.00 C ATOM 190 OG SER A 12 3.446 -7.060 -10.142 1.00 0.00 O ATOM 0 H SER A 12 0.838 -5.822 -9.306 1.00 0.00 H new ATOM 0 HA SER A 12 3.071 -6.653 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.246 -5.005 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.575 -5.676 -9.099 1.00 0.00 H new ATOM 0 HG SER A 12 4.022 -7.006 -10.933 1.00 0.00 H new ATOM 196 N LEU A 13 3.222 -4.360 -6.435 1.00 0.00 N ATOM 197 CA LEU A 13 3.168 -3.041 -5.734 1.00 0.00 C ATOM 198 C LEU A 13 3.417 -1.925 -6.745 1.00 0.00 C ATOM 199 O LEU A 13 2.604 -1.033 -6.905 1.00 0.00 O ATOM 200 CB LEU A 13 4.233 -3.038 -4.635 1.00 0.00 C ATOM 201 CG LEU A 13 3.703 -3.770 -3.386 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.658 -2.914 -2.690 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.042 -5.099 -3.766 1.00 0.00 C ATOM 0 H LEU A 13 3.829 -5.053 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 13 2.190 -2.878 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.140 -3.524 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.501 -2.013 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 13 4.552 -3.957 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.288 -3.437 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.105 -1.967 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.830 -2.723 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.677 -5.594 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.207 -4.910 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.771 -5.739 -4.262 1.00 0.00 H new ATOM 215 N SER A 14 4.514 -1.974 -7.445 1.00 0.00 N ATOM 216 CA SER A 14 4.793 -0.917 -8.453 1.00 0.00 C ATOM 217 C SER A 14 3.678 -0.901 -9.516 1.00 0.00 C ATOM 218 O SER A 14 3.190 0.147 -9.904 1.00 0.00 O ATOM 219 CB SER A 14 6.135 -1.199 -9.128 1.00 0.00 C ATOM 220 OG SER A 14 6.502 -0.081 -9.925 1.00 0.00 O ATOM 0 H SER A 14 5.228 -2.698 -7.363 1.00 0.00 H new ATOM 0 HA SER A 14 4.830 0.052 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.900 -1.391 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.064 -2.094 -9.746 1.00 0.00 H new ATOM 0 HG SER A 14 7.363 -0.257 -10.359 1.00 0.00 H new ATOM 226 N SER A 15 3.278 -2.057 -9.989 1.00 0.00 N ATOM 227 CA SER A 15 2.203 -2.119 -11.027 1.00 0.00 C ATOM 228 C SER A 15 0.941 -1.448 -10.503 1.00 0.00 C ATOM 229 O SER A 15 0.305 -0.671 -11.187 1.00 0.00 O ATOM 230 CB SER A 15 1.898 -3.578 -11.365 1.00 0.00 C ATOM 231 OG SER A 15 0.835 -3.626 -12.309 1.00 0.00 O ATOM 0 H SER A 15 3.651 -2.961 -9.700 1.00 0.00 H new ATOM 0 HA SER A 15 2.543 -1.601 -11.924 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.785 -4.063 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.624 -4.123 -10.462 1.00 0.00 H new ATOM 0 HG SER A 15 0.636 -4.560 -12.531 1.00 0.00 H new ATOM 237 N ILE A 16 0.588 -1.737 -9.291 1.00 0.00 N ATOM 238 CA ILE A 16 -0.621 -1.115 -8.693 1.00 0.00 C ATOM 239 C ILE A 16 -0.433 0.397 -8.728 1.00 0.00 C ATOM 240 O ILE A 16 -1.309 1.120 -9.151 1.00 0.00 O ATOM 241 CB ILE A 16 -0.795 -1.593 -7.249 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.437 -2.986 -7.242 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.709 -0.620 -6.508 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.498 -3.987 -6.567 1.00 0.00 C ATOM 0 H ILE A 16 1.088 -2.383 -8.680 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.512 -1.398 -9.253 1.00 0.00 H new ATOM 0 HB ILE A 16 0.178 -1.638 -6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.390 -2.954 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.649 -3.304 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.838 -0.954 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.263 0.374 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.680 -0.585 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.959 -4.974 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.444 -4.028 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.309 -3.673 -5.541 1.00 0.00 H new ATOM 256 N ALA A 17 0.715 0.876 -8.319 1.00 0.00 N ATOM 257 CA ALA A 17 0.963 2.348 -8.365 1.00 0.00 C ATOM 258 C ALA A 17 0.629 2.862 -9.762 1.00 0.00 C ATOM 259 O ALA A 17 -0.037 3.861 -9.923 1.00 0.00 O ATOM 260 CB ALA A 17 2.434 2.638 -8.120 1.00 0.00 C ATOM 0 H ALA A 17 1.486 0.315 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 17 0.349 2.830 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.604 3.714 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.721 2.258 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.034 2.150 -8.888 1.00 0.00 H new ATOM 266 N LYS A 18 1.110 2.182 -10.775 1.00 0.00 N ATOM 267 CA LYS A 18 0.842 2.620 -12.178 1.00 0.00 C ATOM 268 C LYS A 18 -0.656 2.871 -12.374 1.00 0.00 C ATOM 269 O LYS A 18 -1.052 3.796 -13.056 1.00 0.00 O ATOM 270 CB LYS A 18 1.307 1.533 -13.148 1.00 0.00 C ATOM 271 CG LYS A 18 1.685 2.172 -14.486 1.00 0.00 C ATOM 272 CD LYS A 18 1.841 1.083 -15.548 1.00 0.00 C ATOM 273 CE LYS A 18 2.292 1.716 -16.866 1.00 0.00 C ATOM 274 NZ LYS A 18 2.888 0.669 -17.742 1.00 0.00 N ATOM 0 H LYS A 18 1.679 1.340 -10.688 1.00 0.00 H new ATOM 0 HA LYS A 18 1.386 3.544 -12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.163 1.001 -12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.515 0.798 -13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.918 2.884 -14.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.615 2.731 -14.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.570 0.342 -15.220 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.895 0.559 -15.689 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.444 2.184 -17.366 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.022 2.502 -16.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.195 1.099 -18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.707 0.242 -17.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.179 -0.066 -17.936 1.00 0.00 H new ATOM 288 N ARG A 19 -1.490 2.063 -11.772 1.00 0.00 N ATOM 289 CA ARG A 19 -2.963 2.260 -11.914 1.00 0.00 C ATOM 290 C ARG A 19 -3.342 3.674 -11.464 1.00 0.00 C ATOM 291 O ARG A 19 -4.284 4.259 -11.958 1.00 0.00 O ATOM 292 CB ARG A 19 -3.690 1.238 -11.037 1.00 0.00 C ATOM 293 CG ARG A 19 -5.077 0.960 -11.619 1.00 0.00 C ATOM 294 CD ARG A 19 -5.081 -0.413 -12.293 1.00 0.00 C ATOM 295 NE ARG A 19 -5.947 -0.369 -13.504 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.559 0.292 -14.560 1.00 0.00 C ATOM 297 NH1 ARG A 19 -4.410 0.020 -15.115 1.00 0.00 N ATOM 298 NH2 ARG A 19 -6.322 1.226 -15.060 1.00 0.00 N ATOM 0 H ARG A 19 -1.214 1.274 -11.187 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.249 2.126 -12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.114 0.314 -10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.780 1.616 -10.019 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.828 0.991 -10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.342 1.732 -12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.066 -0.697 -12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.446 -1.170 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.843 -0.856 -13.508 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.815 -0.710 -14.723 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.107 0.537 -15.940 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.220 1.438 -14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.020 1.744 -15.885 1.00 0.00 H new ATOM 312 N HIS A 20 -2.611 4.230 -10.533 1.00 0.00 N ATOM 313 CA HIS A 20 -2.922 5.605 -10.057 1.00 0.00 C ATOM 314 C HIS A 20 -1.755 6.548 -10.372 1.00 0.00 C ATOM 315 O HIS A 20 -1.693 7.645 -9.852 1.00 0.00 O ATOM 316 CB HIS A 20 -3.138 5.598 -8.538 1.00 0.00 C ATOM 317 CG HIS A 20 -3.235 4.186 -8.024 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.452 3.560 -7.804 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.278 3.271 -7.662 1.00 0.00 C ATOM 320 CE1 HIS A 20 -4.189 2.330 -7.327 1.00 0.00 C ATOM 321 NE2 HIS A 20 -2.884 2.105 -7.226 1.00 0.00 N ATOM 0 H HIS A 20 -1.810 3.787 -10.082 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.825 5.946 -10.563 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.314 6.114 -8.046 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.049 6.144 -8.292 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.376 3.958 -7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.212 3.436 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.949 1.611 -7.058 1.00 0.00 H new ATOM 329 N GLY A 21 -0.819 6.134 -11.196 1.00 0.00 N ATOM 330 CA GLY A 21 0.344 7.019 -11.498 1.00 0.00 C ATOM 331 C GLY A 21 0.934 7.491 -10.170 1.00 0.00 C ATOM 332 O GLY A 21 1.080 8.670 -9.921 1.00 0.00 O ATOM 0 H GLY A 21 -0.813 5.229 -11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.093 6.480 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.028 7.871 -12.099 1.00 0.00 H new ATOM 336 N VAL A 22 1.235 6.567 -9.298 1.00 0.00 N ATOM 337 CA VAL A 22 1.770 6.942 -7.961 1.00 0.00 C ATOM 338 C VAL A 22 3.165 6.356 -7.740 1.00 0.00 C ATOM 339 O VAL A 22 3.666 5.593 -8.540 1.00 0.00 O ATOM 340 CB VAL A 22 0.828 6.421 -6.885 1.00 0.00 C ATOM 341 CG1 VAL A 22 -0.203 7.493 -6.551 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.112 5.167 -7.368 1.00 0.00 C ATOM 0 H VAL A 22 1.132 5.565 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 22 1.844 8.028 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 22 1.410 6.176 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.878 7.121 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.305 8.386 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.774 7.740 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.558 4.807 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.466 5.400 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.846 4.396 -7.600 1.00 0.00 H new ATOM 352 N ASN A 23 3.800 6.724 -6.651 1.00 0.00 N ATOM 353 CA ASN A 23 5.168 6.205 -6.370 1.00 0.00 C ATOM 354 C ASN A 23 5.114 5.174 -5.237 1.00 0.00 C ATOM 355 O ASN A 23 5.115 5.501 -4.060 1.00 0.00 O ATOM 356 CB ASN A 23 6.075 7.365 -5.959 1.00 0.00 C ATOM 357 CG ASN A 23 7.070 7.655 -7.083 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.868 6.812 -7.439 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.057 8.825 -7.663 1.00 0.00 N ATOM 0 H ASN A 23 3.426 7.361 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 23 5.563 5.729 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.477 8.252 -5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.608 7.117 -5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.717 9.029 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.387 9.534 -7.365 1.00 0.00 H new ATOM 366 N ILE A 24 5.080 3.921 -5.580 1.00 0.00 N ATOM 367 CA ILE A 24 5.036 2.876 -4.525 1.00 0.00 C ATOM 368 C ILE A 24 6.197 3.091 -3.553 1.00 0.00 C ATOM 369 O ILE A 24 6.140 2.677 -2.417 1.00 0.00 O ATOM 370 CB ILE A 24 5.109 1.500 -5.169 1.00 0.00 C ATOM 371 CG1 ILE A 24 3.966 1.378 -6.151 1.00 0.00 C ATOM 372 CG2 ILE A 24 4.943 0.417 -4.121 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.629 1.477 -5.398 1.00 0.00 C ATOM 0 H ILE A 24 5.081 3.576 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 24 4.101 2.944 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 24 6.075 1.384 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.032 2.166 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.028 0.427 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.998 -0.562 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.737 0.504 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.975 0.529 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.805 1.389 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.564 0.673 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.569 2.439 -4.889 1.00 0.00 H new ATOM 385 N LYS A 25 7.234 3.774 -3.965 1.00 0.00 N ATOM 386 CA LYS A 25 8.340 4.043 -3.015 1.00 0.00 C ATOM 387 C LYS A 25 7.773 4.935 -1.911 1.00 0.00 C ATOM 388 O LYS A 25 8.054 4.746 -0.747 1.00 0.00 O ATOM 389 CB LYS A 25 9.500 4.750 -3.713 1.00 0.00 C ATOM 390 CG LYS A 25 8.989 5.964 -4.496 1.00 0.00 C ATOM 391 CD LYS A 25 10.178 6.784 -4.998 1.00 0.00 C ATOM 392 CE LYS A 25 10.863 7.466 -3.814 1.00 0.00 C ATOM 393 NZ LYS A 25 11.555 8.700 -4.285 1.00 0.00 N ATOM 0 H LYS A 25 7.357 4.150 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 25 8.726 3.108 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.237 5.068 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.003 4.058 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.378 5.637 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.352 6.579 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.885 6.138 -5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.841 7.531 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.127 7.718 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.581 6.786 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.022 9.165 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.267 8.447 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.859 9.350 -4.704 1.00 0.00 H new ATOM 407 N ASP A 26 6.927 5.875 -2.267 1.00 0.00 N ATOM 408 CA ASP A 26 6.299 6.726 -1.224 1.00 0.00 C ATOM 409 C ASP A 26 5.477 5.792 -0.365 1.00 0.00 C ATOM 410 O ASP A 26 5.459 5.885 0.847 1.00 0.00 O ATOM 411 CB ASP A 26 5.379 7.780 -1.837 1.00 0.00 C ATOM 412 CG ASP A 26 6.133 8.604 -2.882 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.353 8.576 -2.869 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.475 9.259 -3.673 1.00 0.00 O ATOM 0 H ASP A 26 6.651 6.083 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 26 7.065 7.256 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.518 7.296 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.995 8.436 -1.055 1.00 0.00 H new ATOM 419 N VAL A 27 4.824 4.859 -0.994 1.00 0.00 N ATOM 420 CA VAL A 27 4.038 3.869 -0.210 1.00 0.00 C ATOM 421 C VAL A 27 4.985 3.183 0.771 1.00 0.00 C ATOM 422 O VAL A 27 4.717 3.099 1.954 1.00 0.00 O ATOM 423 CB VAL A 27 3.423 2.843 -1.149 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.840 1.685 -0.340 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.318 3.529 -1.931 1.00 0.00 C ATOM 0 H VAL A 27 4.799 4.739 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 27 3.233 4.365 0.333 1.00 0.00 H new ATOM 0 HB VAL A 27 4.180 2.447 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.401 0.953 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.632 1.212 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.071 2.063 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.858 2.815 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.564 3.907 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.737 4.358 -2.501 1.00 0.00 H new ATOM 435 N MET A 28 6.122 2.735 0.302 1.00 0.00 N ATOM 436 CA MET A 28 7.098 2.099 1.224 1.00 0.00 C ATOM 437 C MET A 28 7.671 3.181 2.144 1.00 0.00 C ATOM 438 O MET A 28 8.309 2.896 3.138 1.00 0.00 O ATOM 439 CB MET A 28 8.224 1.456 0.413 1.00 0.00 C ATOM 440 CG MET A 28 7.638 0.386 -0.510 1.00 0.00 C ATOM 441 SD MET A 28 8.981 -0.478 -1.364 1.00 0.00 S ATOM 442 CE MET A 28 7.976 -1.805 -2.073 1.00 0.00 C ATOM 0 H MET A 28 6.411 2.784 -0.675 1.00 0.00 H new ATOM 0 HA MET A 28 6.608 1.328 1.818 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.743 2.214 -0.174 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.961 1.011 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.045 -0.323 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.967 0.845 -1.236 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.612 -2.473 -2.654 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.497 -2.367 -1.271 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.212 -1.376 -2.722 1.00 0.00 H new ATOM 452 N ARG A 29 7.443 4.425 1.816 1.00 0.00 N ATOM 453 CA ARG A 29 7.959 5.533 2.663 1.00 0.00 C ATOM 454 C ARG A 29 7.097 5.649 3.921 1.00 0.00 C ATOM 455 O ARG A 29 7.602 5.814 5.012 1.00 0.00 O ATOM 456 CB ARG A 29 7.898 6.848 1.881 1.00 0.00 C ATOM 457 CG ARG A 29 8.807 7.884 2.542 1.00 0.00 C ATOM 458 CD ARG A 29 9.035 9.047 1.575 1.00 0.00 C ATOM 459 NE ARG A 29 10.428 8.994 1.056 1.00 0.00 N ATOM 460 CZ ARG A 29 11.315 9.852 1.479 1.00 0.00 C ATOM 461 NH1 ARG A 29 11.854 10.699 0.645 1.00 0.00 N ATOM 462 NH2 ARG A 29 11.662 9.865 2.738 1.00 0.00 N ATOM 0 H ARG A 29 6.918 4.720 0.993 1.00 0.00 H new ATOM 0 HA ARG A 29 8.992 5.327 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.209 6.683 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.873 7.217 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.354 8.247 3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.760 7.429 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.326 8.992 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.860 9.996 2.083 1.00 0.00 H new ATOM 0 HE ARG A 29 10.690 8.287 0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.582 10.690 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.547 11.370 0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.240 9.204 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.356 10.536 3.069 1.00 0.00 H new ATOM 476 N TRP A 30 5.799 5.554 3.785 1.00 0.00 N ATOM 477 CA TRP A 30 4.931 5.654 4.996 1.00 0.00 C ATOM 478 C TRP A 30 4.893 4.299 5.694 1.00 0.00 C ATOM 479 O TRP A 30 5.101 4.202 6.887 1.00 0.00 O ATOM 480 CB TRP A 30 3.512 6.066 4.603 1.00 0.00 C ATOM 481 CG TRP A 30 3.581 7.247 3.698 1.00 0.00 C ATOM 482 CD1 TRP A 30 4.012 8.479 4.050 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.225 7.322 2.295 1.00 0.00 C ATOM 484 NE1 TRP A 30 3.946 9.306 2.943 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.467 8.635 1.835 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.722 6.381 1.389 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.217 9.002 0.513 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.469 6.742 0.062 1.00 0.00 C ATOM 489 CH2 TRP A 30 2.717 8.051 -0.377 1.00 0.00 C ATOM 0 H TRP A 30 5.309 5.414 2.902 1.00 0.00 H new ATOM 0 HA TRP A 30 5.340 6.409 5.667 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.005 5.240 4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.930 6.307 5.493 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.352 8.770 5.033 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.217 10.289 2.945 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.528 5.370 1.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.408 10.012 0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.080 6.009 -0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.521 8.323 -1.404 1.00 0.00 H new ATOM 500 N ASN A 31 4.648 3.245 4.963 1.00 0.00 N ATOM 501 CA ASN A 31 4.621 1.905 5.609 1.00 0.00 C ATOM 502 C ASN A 31 5.951 1.202 5.348 1.00 0.00 C ATOM 503 O ASN A 31 6.462 1.197 4.247 1.00 0.00 O ATOM 504 CB ASN A 31 3.466 1.064 5.062 1.00 0.00 C ATOM 505 CG ASN A 31 3.387 1.186 3.538 1.00 0.00 C ATOM 506 OD1 ASN A 31 4.132 0.540 2.828 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.510 1.991 2.995 1.00 0.00 N ATOM 0 H ASN A 31 4.468 3.254 3.959 1.00 0.00 H new ATOM 0 HA ASN A 31 4.471 2.027 6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.605 0.020 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.527 1.392 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.454 2.074 1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.882 2.535 3.587 1.00 0.00 H new ATOM 514 N SER A 32 6.514 0.609 6.359 1.00 0.00 N ATOM 515 CA SER A 32 7.816 -0.095 6.187 1.00 0.00 C ATOM 516 C SER A 32 7.556 -1.583 6.021 1.00 0.00 C ATOM 517 O SER A 32 7.575 -2.110 4.927 1.00 0.00 O ATOM 518 CB SER A 32 8.698 0.145 7.413 1.00 0.00 C ATOM 519 OG SER A 32 9.779 -0.776 7.401 1.00 0.00 O ATOM 0 H SER A 32 6.128 0.580 7.303 1.00 0.00 H new ATOM 0 HA SER A 32 8.328 0.287 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.076 1.167 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.113 0.025 8.325 1.00 0.00 H new ATOM 0 HG SER A 32 10.347 -0.624 8.185 1.00 0.00 H new ATOM 525 N ASP A 33 7.299 -2.257 7.098 1.00 0.00 N ATOM 526 CA ASP A 33 7.010 -3.717 7.013 1.00 0.00 C ATOM 527 C ASP A 33 5.670 -3.895 6.303 1.00 0.00 C ATOM 528 O ASP A 33 4.620 -3.862 6.913 1.00 0.00 O ATOM 529 CB ASP A 33 6.942 -4.345 8.414 1.00 0.00 C ATOM 530 CG ASP A 33 6.490 -3.307 9.450 1.00 0.00 C ATOM 531 OD1 ASP A 33 5.360 -2.853 9.360 1.00 0.00 O ATOM 532 OD2 ASP A 33 7.284 -2.987 10.320 1.00 0.00 O ATOM 0 H ASP A 33 7.275 -1.864 8.039 1.00 0.00 H new ATOM 0 HA ASP A 33 7.808 -4.215 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.249 -5.186 8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.920 -4.740 8.689 1.00 0.00 H new ATOM 537 N THR A 34 5.695 -4.064 5.011 1.00 0.00 N ATOM 538 CA THR A 34 4.423 -4.221 4.258 1.00 0.00 C ATOM 539 C THR A 34 3.950 -5.675 4.312 1.00 0.00 C ATOM 540 O THR A 34 3.594 -6.262 3.307 1.00 0.00 O ATOM 541 CB THR A 34 4.645 -3.798 2.807 1.00 0.00 C ATOM 542 OG1 THR A 34 6.007 -4.001 2.459 1.00 0.00 O ATOM 543 CG2 THR A 34 4.290 -2.319 2.648 1.00 0.00 C ATOM 0 H THR A 34 6.543 -4.100 4.445 1.00 0.00 H new ATOM 0 HA THR A 34 3.656 -3.592 4.710 1.00 0.00 H new ATOM 0 HB THR A 34 4.011 -4.395 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.150 -3.732 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.448 -2.016 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.245 -2.165 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.924 -1.720 3.302 1.00 0.00 H new ATOM 551 N ALA A 35 3.910 -6.252 5.483 1.00 0.00 N ATOM 552 CA ALA A 35 3.430 -7.653 5.601 1.00 0.00 C ATOM 553 C ALA A 35 1.931 -7.697 5.298 1.00 0.00 C ATOM 554 O ALA A 35 1.348 -8.755 5.162 1.00 0.00 O ATOM 555 CB ALA A 35 3.684 -8.165 7.020 1.00 0.00 C ATOM 0 H ALA A 35 4.189 -5.812 6.360 1.00 0.00 H new ATOM 0 HA ALA A 35 3.965 -8.285 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.331 -9.193 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.752 -8.129 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.150 -7.538 7.734 1.00 0.00 H new ATOM 561 N ASN A 36 1.302 -6.556 5.176 1.00 0.00 N ATOM 562 CA ASN A 36 -0.147 -6.537 4.867 1.00 0.00 C ATOM 563 C ASN A 36 -0.349 -6.672 3.357 1.00 0.00 C ATOM 564 O ASN A 36 -1.462 -6.676 2.881 1.00 0.00 O ATOM 565 CB ASN A 36 -0.756 -5.217 5.344 1.00 0.00 C ATOM 566 CG ASN A 36 -0.642 -5.115 6.866 1.00 0.00 C ATOM 567 OD1 ASN A 36 -0.084 -5.983 7.508 1.00 0.00 O ATOM 568 ND2 ASN A 36 -1.154 -4.081 7.477 1.00 0.00 N ATOM 0 H ASN A 36 1.736 -5.639 5.278 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.635 -7.368 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.242 -4.378 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.802 -5.159 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.085 -4.003 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.623 -3.352 6.940 1.00 0.00 H new ATOM 575 N LEU A 37 0.706 -6.788 2.589 1.00 0.00 N ATOM 576 CA LEU A 37 0.519 -6.930 1.117 1.00 0.00 C ATOM 577 C LEU A 37 0.243 -8.400 0.810 1.00 0.00 C ATOM 578 O LEU A 37 1.063 -9.099 0.249 1.00 0.00 O ATOM 579 CB LEU A 37 1.772 -6.480 0.365 1.00 0.00 C ATOM 580 CG LEU A 37 1.846 -4.952 0.322 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.518 -4.359 1.693 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.258 -4.528 -0.081 1.00 0.00 C ATOM 0 H LEU A 37 1.673 -6.790 2.913 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.314 -6.305 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.661 -6.880 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.758 -6.879 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 37 1.120 -4.586 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.576 -3.272 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.511 -4.656 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.233 -4.726 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.316 -3.440 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.974 -4.908 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.492 -4.933 -1.065 1.00 0.00 H new ATOM 594 N GLN A 38 -0.915 -8.864 1.177 1.00 0.00 N ATOM 595 CA GLN A 38 -1.284 -10.273 0.924 1.00 0.00 C ATOM 596 C GLN A 38 -2.328 -10.270 -0.174 1.00 0.00 C ATOM 597 O GLN A 38 -2.908 -9.237 -0.458 1.00 0.00 O ATOM 598 CB GLN A 38 -1.870 -10.880 2.200 1.00 0.00 C ATOM 599 CG GLN A 38 -0.740 -11.180 3.186 1.00 0.00 C ATOM 600 CD GLN A 38 -0.116 -12.535 2.849 1.00 0.00 C ATOM 601 OE1 GLN A 38 0.727 -12.629 1.979 1.00 0.00 O ATOM 602 NE2 GLN A 38 -0.497 -13.597 3.506 1.00 0.00 N ATOM 0 H GLN A 38 -1.632 -8.313 1.650 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.416 -10.862 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.585 -10.190 2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.414 -11.795 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.017 -10.397 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.125 -11.188 4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.205 -13.518 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.087 -14.505 3.289 1.00 0.00 H new ATOM 611 N PRO A 39 -2.547 -11.406 -0.764 1.00 0.00 N ATOM 612 CA PRO A 39 -3.525 -11.525 -1.842 1.00 0.00 C ATOM 613 C PRO A 39 -4.932 -11.354 -1.277 1.00 0.00 C ATOM 614 O PRO A 39 -5.608 -12.302 -0.935 1.00 0.00 O ATOM 615 CB PRO A 39 -3.279 -12.924 -2.413 1.00 0.00 C ATOM 616 CG PRO A 39 -2.553 -13.718 -1.304 1.00 0.00 C ATOM 617 CD PRO A 39 -1.873 -12.670 -0.402 1.00 0.00 C ATOM 0 HA PRO A 39 -3.428 -10.765 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.219 -13.405 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.673 -12.875 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.257 -14.324 -0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.818 -14.400 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.004 -12.905 0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.800 -12.619 -0.586 1.00 0.00 H new ATOM 625 N GLY A 40 -5.354 -10.127 -1.168 1.00 0.00 N ATOM 626 CA GLY A 40 -6.699 -9.829 -0.616 1.00 0.00 C ATOM 627 C GLY A 40 -6.578 -8.805 0.523 1.00 0.00 C ATOM 628 O GLY A 40 -7.498 -8.630 1.296 1.00 0.00 O ATOM 0 H GLY A 40 -4.814 -9.307 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.346 -9.439 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.162 -10.744 -0.247 1.00 0.00 H new ATOM 632 N ASP A 41 -5.460 -8.119 0.645 1.00 0.00 N ATOM 633 CA ASP A 41 -5.335 -7.121 1.748 1.00 0.00 C ATOM 634 C ASP A 41 -5.261 -5.717 1.153 1.00 0.00 C ATOM 635 O ASP A 41 -4.822 -5.533 0.039 1.00 0.00 O ATOM 636 CB ASP A 41 -4.069 -7.402 2.549 1.00 0.00 C ATOM 637 CG ASP A 41 -4.424 -8.140 3.839 1.00 0.00 C ATOM 638 OD1 ASP A 41 -5.415 -8.849 3.840 1.00 0.00 O ATOM 639 OD2 ASP A 41 -3.694 -7.983 4.805 1.00 0.00 O ATOM 0 H ASP A 41 -4.646 -8.208 0.037 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.202 -7.194 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.378 -8.001 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.561 -6.467 2.783 1.00 0.00 H new ATOM 644 N LYS A 42 -5.692 -4.721 1.884 1.00 0.00 N ATOM 645 CA LYS A 42 -5.657 -3.333 1.348 1.00 0.00 C ATOM 646 C LYS A 42 -4.265 -2.725 1.543 1.00 0.00 C ATOM 647 O LYS A 42 -3.469 -3.198 2.330 1.00 0.00 O ATOM 648 CB LYS A 42 -6.707 -2.481 2.071 1.00 0.00 C ATOM 649 CG LYS A 42 -6.103 -1.839 3.324 1.00 0.00 C ATOM 650 CD LYS A 42 -5.877 -2.910 4.393 1.00 0.00 C ATOM 651 CE LYS A 42 -5.871 -2.262 5.777 1.00 0.00 C ATOM 652 NZ LYS A 42 -6.076 -3.310 6.817 1.00 0.00 N ATOM 0 H LYS A 42 -6.066 -4.812 2.829 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.880 -3.355 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.080 -1.706 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.560 -3.101 2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.159 -1.353 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.769 -1.065 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.662 -3.665 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.931 -3.421 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.925 -1.748 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.658 -1.511 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.072 -2.870 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.989 -3.782 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.310 -4.011 6.759 1.00 0.00 H new ATOM 666 N LEU A 43 -3.961 -1.694 0.801 1.00 0.00 N ATOM 667 CA LEU A 43 -2.621 -1.060 0.898 1.00 0.00 C ATOM 668 C LEU A 43 -2.750 0.460 0.798 1.00 0.00 C ATOM 669 O LEU A 43 -3.483 0.978 -0.022 1.00 0.00 O ATOM 670 CB LEU A 43 -1.763 -1.556 -0.257 1.00 0.00 C ATOM 671 CG LEU A 43 -0.547 -2.309 0.279 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.498 -2.390 -0.822 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.054 -1.574 1.482 1.00 0.00 C ATOM 0 H LEU A 43 -4.592 -1.262 0.126 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.167 -1.320 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.350 -2.210 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.439 -0.713 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.855 -3.306 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.373 -2.925 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.083 -2.919 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.788 -1.383 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.919 -2.125 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.363 -0.573 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.692 -1.500 2.273 1.00 0.00 H new ATOM 685 N THR A 44 -2.041 1.177 1.627 1.00 0.00 N ATOM 686 CA THR A 44 -2.115 2.657 1.591 1.00 0.00 C ATOM 687 C THR A 44 -1.416 3.193 0.343 1.00 0.00 C ATOM 688 O THR A 44 -0.252 2.935 0.111 1.00 0.00 O ATOM 689 CB THR A 44 -1.410 3.236 2.823 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.362 3.440 3.856 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.746 4.575 2.463 1.00 0.00 C ATOM 0 H THR A 44 -1.410 0.794 2.331 1.00 0.00 H new ATOM 0 HA THR A 44 -3.165 2.950 1.579 1.00 0.00 H new ATOM 0 HB THR A 44 -0.645 2.538 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.914 3.809 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.247 4.982 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.014 4.417 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.506 5.277 2.120 1.00 0.00 H new ATOM 699 N LEU A 45 -2.107 3.973 -0.437 1.00 0.00 N ATOM 700 CA LEU A 45 -1.473 4.573 -1.638 1.00 0.00 C ATOM 701 C LEU A 45 -1.497 6.087 -1.460 1.00 0.00 C ATOM 702 O LEU A 45 -1.977 6.812 -2.310 1.00 0.00 O ATOM 703 CB LEU A 45 -2.240 4.204 -2.914 1.00 0.00 C ATOM 704 CG LEU A 45 -1.680 2.925 -3.530 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.727 2.350 -4.472 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.417 3.241 -4.334 1.00 0.00 C ATOM 0 H LEU A 45 -3.086 4.221 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.455 4.197 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.297 4.070 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.172 5.020 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.435 2.215 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.346 1.434 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.636 2.128 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.950 3.075 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.024 2.323 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.659 3.946 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.333 3.680 -3.676 1.00 0.00 H new ATOM 718 N PHE A 46 -0.968 6.575 -0.359 1.00 0.00 N ATOM 719 CA PHE A 46 -0.938 8.050 -0.132 1.00 0.00 C ATOM 720 C PHE A 46 -0.276 8.699 -1.342 1.00 0.00 C ATOM 721 O PHE A 46 -0.471 9.864 -1.628 1.00 0.00 O ATOM 722 CB PHE A 46 -0.114 8.370 1.119 1.00 0.00 C ATOM 723 CG PHE A 46 -0.989 8.349 2.348 1.00 0.00 C ATOM 724 CD1 PHE A 46 -2.233 8.989 2.340 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.547 7.693 3.504 1.00 0.00 C ATOM 726 CE1 PHE A 46 -3.037 8.970 3.486 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.350 7.675 4.650 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.594 8.313 4.641 1.00 0.00 C ATOM 0 H PHE A 46 -0.558 6.013 0.387 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.952 8.426 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.692 7.644 1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.352 9.350 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.573 9.498 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.414 7.201 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.999 9.462 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.009 7.169 5.541 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.214 8.299 5.525 1.00 0.00 H new ATOM 738 N VAL A 47 0.508 7.924 -2.041 1.00 0.00 N ATOM 739 CA VAL A 47 1.219 8.394 -3.247 1.00 0.00 C ATOM 740 C VAL A 47 0.319 9.322 -4.066 1.00 0.00 C ATOM 741 O VAL A 47 -0.861 9.078 -4.229 1.00 0.00 O ATOM 742 CB VAL A 47 1.597 7.160 -4.073 1.00 0.00 C ATOM 743 CG1 VAL A 47 2.849 6.513 -3.502 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.474 6.118 -4.025 1.00 0.00 C ATOM 0 H VAL A 47 0.686 6.947 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 47 2.111 8.955 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 47 1.766 7.486 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.109 5.637 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.672 7.227 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.664 6.210 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.759 5.248 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.304 5.814 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.441 6.550 -4.432 1.00 0.00 H new ATOM 754 N LYS A 48 0.869 10.386 -4.583 1.00 0.00 N ATOM 755 CA LYS A 48 0.049 11.330 -5.391 1.00 0.00 C ATOM 756 C LYS A 48 0.096 10.912 -6.861 1.00 0.00 C ATOM 757 O LYS A 48 -0.941 10.543 -7.386 1.00 0.00 O ATOM 758 CB LYS A 48 0.607 12.746 -5.240 1.00 0.00 C ATOM 759 CG LYS A 48 -0.069 13.436 -4.054 1.00 0.00 C ATOM 760 CD LYS A 48 0.465 14.864 -3.919 1.00 0.00 C ATOM 761 CE LYS A 48 -0.656 15.787 -3.434 1.00 0.00 C ATOM 762 NZ LYS A 48 -1.365 15.156 -2.285 1.00 0.00 N ATOM 763 OXT LYS A 48 1.170 10.966 -7.438 1.00 0.00 O ATOM 0 H LYS A 48 1.851 10.642 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.983 11.310 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.686 12.709 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.434 13.316 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.149 13.453 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.122 12.877 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.298 14.887 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.847 15.212 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.243 16.750 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.358 15.980 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.763 15.897 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.133 14.551 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.695 14.579 -1.738 1.00 0.00 H new TER 777 LYS A 48