USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 398 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: B 9 ASN : amide:sc= -0.496 K(o=-0.9,f=-5.6!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -0.402 K(o=-0.9,f=-2.1) USER MOD Single : A 1 VAL N :NH3+ -148:sc= -0.0497 (180deg=-0.668) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 0.354 (180deg=-0.119) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot 38:sc= 1.27 USER MOD Single : B 6 THR OG1 : rot 39:sc= 0.471 USER MOD Single : B 8 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-0.3) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= -0.724 USER MOD Single : B 22 ASN : amide:sc= 0.0856 X(o=0.086,f=-0.0081) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.247 4.431 -20.726 1.00 3.00 N ATOM 2 CA VAL A 1 0.012 5.851 -20.518 1.00 12.15 C ATOM 3 C VAL A 1 -0.135 6.226 -19.048 1.00 44.12 C ATOM 4 O VAL A 1 -1.207 6.637 -18.605 1.00 71.44 O ATOM 5 CB VAL A 1 -0.940 6.724 -21.356 1.00 14.30 C ATOM 6 CG1 VAL A 1 -0.554 8.191 -21.249 1.00 51.34 C ATOM 7 CG2 VAL A 1 -0.941 6.268 -22.808 1.00 43.02 C ATOM 0 H1 VAL A 1 0.338 4.083 -21.513 1.00 3.00 H new ATOM 0 H2 VAL A 1 -0.012 3.905 -19.860 1.00 3.00 H new ATOM 0 H3 VAL A 1 -1.252 4.291 -20.954 1.00 3.00 H new ATOM 0 HA VAL A 1 1.038 6.036 -20.837 1.00 12.15 H new ATOM 0 HB VAL A 1 -1.950 6.610 -20.963 1.00 14.30 H new ATOM 0 HG11 VAL A 1 -1.238 8.792 -21.848 1.00 51.34 H new ATOM 0 HG12 VAL A 1 -0.610 8.507 -20.207 1.00 51.34 H new ATOM 0 HG13 VAL A 1 0.464 8.327 -21.615 1.00 51.34 H new ATOM 0 HG21 VAL A 1 -1.619 6.896 -23.386 1.00 43.02 H new ATOM 0 HG22 VAL A 1 0.066 6.351 -23.216 1.00 43.02 H new ATOM 0 HG23 VAL A 1 -1.271 5.231 -22.863 1.00 43.02 H new ATOM 17 N ALA A 2 0.951 6.082 -18.295 1.00 13.11 N ATOM 18 CA ALA A 2 0.945 6.409 -16.874 1.00 15.13 C ATOM 19 C ALA A 2 1.002 7.917 -16.657 1.00 2.12 C ATOM 20 O ALA A 2 2.082 8.496 -16.537 1.00 32.31 O ATOM 21 CB ALA A 2 2.109 5.727 -16.171 1.00 44.04 C ATOM 0 H ALA A 2 1.846 5.741 -18.645 1.00 13.11 H new ATOM 0 HA ALA A 2 0.012 6.043 -16.446 1.00 15.13 H new ATOM 0 HB1 ALA A 2 2.092 5.980 -15.111 1.00 44.04 H new ATOM 0 HB2 ALA A 2 2.022 4.647 -16.288 1.00 44.04 H new ATOM 0 HB3 ALA A 2 3.048 6.065 -16.610 1.00 44.04 H new ATOM 27 N ARG A 3 -0.167 8.548 -16.608 1.00 63.13 N ATOM 28 CA ARG A 3 -0.248 9.989 -16.407 1.00 51.43 C ATOM 29 C ARG A 3 -0.976 10.317 -15.107 1.00 53.23 C ATOM 30 O ARG A 3 -0.823 11.405 -14.556 1.00 45.55 O ATOM 31 CB ARG A 3 -0.965 10.650 -17.586 1.00 53.43 C ATOM 32 CG ARG A 3 -1.552 12.013 -17.256 1.00 53.04 C ATOM 33 CD ARG A 3 -2.170 12.666 -18.483 1.00 24.22 C ATOM 34 NE ARG A 3 -3.333 13.480 -18.143 1.00 45.12 N ATOM 35 CZ ARG A 3 -4.502 12.973 -17.768 1.00 50.21 C ATOM 36 NH1 ARG A 3 -4.663 11.660 -17.687 1.00 12.20 N ATOM 37 NH2 ARG A 3 -5.514 13.781 -17.474 1.00 31.51 N ATOM 0 H ARG A 3 -1.070 8.084 -16.705 1.00 63.13 H new ATOM 0 HA ARG A 3 0.768 10.379 -16.343 1.00 51.43 H new ATOM 0 HB2 ARG A 3 -0.263 10.757 -18.413 1.00 53.43 H new ATOM 0 HB3 ARG A 3 -1.764 9.993 -17.929 1.00 53.43 H new ATOM 0 HG2 ARG A 3 -2.309 11.906 -16.479 1.00 53.04 H new ATOM 0 HG3 ARG A 3 -0.772 12.659 -16.853 1.00 53.04 H new ATOM 0 HD2 ARG A 3 -1.424 13.289 -18.977 1.00 24.22 H new ATOM 0 HD3 ARG A 3 -2.463 11.895 -19.195 1.00 24.22 H new ATOM 0 HE ARG A 3 -3.243 14.495 -18.196 1.00 45.12 H new ATOM 0 HH11 ARG A 3 -3.888 11.036 -17.913 1.00 12.20 H new ATOM 0 HH12 ARG A 3 -5.562 11.273 -17.399 1.00 12.20 H new ATOM 0 HH21 ARG A 3 -5.394 14.792 -17.536 1.00 31.51 H new ATOM 0 HH22 ARG A 3 -6.411 13.391 -17.186 1.00 31.51 H new ATOM 51 N GLY A 4 -1.769 9.366 -14.623 1.00 2.42 N ATOM 52 CA GLY A 4 -2.509 9.573 -13.392 1.00 11.00 C ATOM 53 C GLY A 4 -1.601 9.720 -12.187 1.00 43.13 C ATOM 54 O GLY A 4 -2.026 10.205 -11.138 1.00 21.43 O ATOM 0 H GLY A 4 -1.912 8.456 -15.061 1.00 2.42 H new ATOM 0 HA2 GLY A 4 -3.126 10.466 -13.489 1.00 11.00 H new ATOM 0 HA3 GLY A 4 -3.186 8.733 -13.233 1.00 11.00 H new ATOM 58 N TRP A 5 -0.350 9.301 -12.337 1.00 21.11 N ATOM 59 CA TRP A 5 0.620 9.387 -11.251 1.00 51.23 C ATOM 60 C TRP A 5 1.835 10.208 -11.670 1.00 53.32 C ATOM 61 O TRP A 5 2.703 10.512 -10.853 1.00 41.22 O ATOM 62 CB TRP A 5 1.060 7.987 -10.819 1.00 53.23 C ATOM 63 CG TRP A 5 0.391 7.516 -9.563 1.00 74.12 C ATOM 64 CD1 TRP A 5 -0.941 7.584 -9.268 1.00 33.41 C ATOM 65 CD2 TRP A 5 1.024 6.906 -8.433 1.00 0.24 C ATOM 66 NE1 TRP A 5 -1.174 7.053 -8.022 1.00 60.41 N ATOM 67 CE2 TRP A 5 0.015 6.629 -7.490 1.00 73.12 C ATOM 68 CE3 TRP A 5 2.345 6.565 -8.127 1.00 54.24 C ATOM 69 CZ2 TRP A 5 0.287 6.029 -6.263 1.00 63.21 C ATOM 70 CZ3 TRP A 5 2.613 5.970 -6.909 1.00 60.20 C ATOM 71 CH2 TRP A 5 1.589 5.706 -5.990 1.00 45.11 C ATOM 0 H TRP A 5 0.017 8.898 -13.199 1.00 21.11 H new ATOM 0 HA TRP A 5 0.141 9.885 -10.408 1.00 51.23 H new ATOM 0 HB2 TRP A 5 0.846 7.282 -11.623 1.00 53.23 H new ATOM 0 HB3 TRP A 5 2.140 7.983 -10.671 1.00 53.23 H new ATOM 0 HD1 TRP A 5 -1.699 7.995 -9.918 1.00 33.41 H new ATOM 0 HE1 TRP A 5 -2.084 6.986 -7.567 1.00 60.41 H new ATOM 0 HE3 TRP A 5 3.141 6.763 -8.830 1.00 54.24 H new ATOM 0 HZ2 TRP A 5 -0.501 5.826 -5.553 1.00 63.21 H new ATOM 0 HZ3 TRP A 5 3.630 5.704 -6.661 1.00 60.20 H new ATOM 0 HH2 TRP A 5 1.832 5.238 -5.047 1.00 45.11 H new ATOM 82 N LYS A 6 1.890 10.565 -12.949 1.00 10.45 N ATOM 83 CA LYS A 6 2.997 11.352 -13.477 1.00 74.02 C ATOM 84 C LYS A 6 2.587 12.809 -13.666 1.00 54.25 C ATOM 85 O LYS A 6 3.436 13.695 -13.764 1.00 24.33 O ATOM 86 CB LYS A 6 3.475 10.769 -14.808 1.00 13.11 C ATOM 87 CG LYS A 6 4.449 11.667 -15.551 1.00 61.33 C ATOM 88 CD LYS A 6 3.745 12.494 -16.614 1.00 74.31 C ATOM 89 CE LYS A 6 4.213 12.118 -18.012 1.00 71.12 C ATOM 90 NZ LYS A 6 3.715 13.075 -19.039 1.00 34.41 N ATOM 0 H LYS A 6 1.180 10.321 -13.639 1.00 10.45 H new ATOM 0 HA LYS A 6 3.814 11.313 -12.756 1.00 74.02 H new ATOM 0 HB2 LYS A 6 3.951 9.806 -14.623 1.00 13.11 H new ATOM 0 HB3 LYS A 6 2.610 10.581 -15.444 1.00 13.11 H new ATOM 0 HG2 LYS A 6 4.947 12.330 -14.843 1.00 61.33 H new ATOM 0 HG3 LYS A 6 5.224 11.058 -16.016 1.00 61.33 H new ATOM 0 HD2 LYS A 6 2.668 12.346 -16.538 1.00 74.31 H new ATOM 0 HD3 LYS A 6 3.935 13.553 -16.438 1.00 74.31 H new ATOM 0 HE2 LYS A 6 5.302 12.094 -18.036 1.00 71.12 H new ATOM 0 HE3 LYS A 6 3.866 11.113 -18.253 1.00 71.12 H new ATOM 0 HZ1 LYS A 6 4.055 12.785 -19.978 1.00 34.41 H new ATOM 0 HZ2 LYS A 6 2.675 13.080 -19.034 1.00 34.41 H new ATOM 0 HZ3 LYS A 6 4.067 14.030 -18.823 1.00 34.41 H new ATOM 104 N ARG A 7 1.281 13.050 -13.716 1.00 74.11 N ATOM 105 CA ARG A 7 0.759 14.400 -13.893 1.00 62.43 C ATOM 106 C ARG A 7 0.113 14.907 -12.607 1.00 14.14 C ATOM 107 O ARG A 7 0.125 16.104 -12.323 1.00 40.32 O ATOM 108 CB ARG A 7 -0.260 14.431 -15.034 1.00 34.51 C ATOM 109 CG ARG A 7 -1.010 15.747 -15.147 1.00 65.12 C ATOM 110 CD ARG A 7 -2.477 15.585 -14.786 1.00 5.40 C ATOM 111 NE ARG A 7 -3.340 16.431 -15.605 1.00 51.03 N ATOM 112 CZ ARG A 7 -4.607 16.697 -15.307 1.00 44.14 C ATOM 113 NH1 ARG A 7 -5.155 16.188 -14.212 1.00 12.14 N ATOM 114 NH2 ARG A 7 -5.327 17.477 -16.103 1.00 15.22 N ATOM 0 H ARG A 7 0.565 12.328 -13.636 1.00 74.11 H new ATOM 0 HA ARG A 7 1.594 15.055 -14.142 1.00 62.43 H new ATOM 0 HB2 ARG A 7 0.255 14.234 -15.974 1.00 34.51 H new ATOM 0 HB3 ARG A 7 -0.979 13.625 -14.889 1.00 34.51 H new ATOM 0 HG2 ARG A 7 -0.552 16.486 -14.489 1.00 65.12 H new ATOM 0 HG3 ARG A 7 -0.925 16.129 -16.164 1.00 65.12 H new ATOM 0 HD2 ARG A 7 -2.768 14.542 -14.911 1.00 5.40 H new ATOM 0 HD3 ARG A 7 -2.621 15.832 -13.734 1.00 5.40 H new ATOM 0 HE ARG A 7 -2.948 16.841 -16.453 1.00 51.03 H new ATOM 0 HH11 ARG A 7 -4.603 15.591 -13.596 1.00 12.14 H new ATOM 0 HH12 ARG A 7 -6.128 16.394 -13.986 1.00 12.14 H new ATOM 0 HH21 ARG A 7 -4.908 17.873 -16.944 1.00 15.22 H new ATOM 0 HH22 ARG A 7 -6.300 17.681 -15.874 1.00 15.22 H new ATOM 128 N LYS A 8 -0.452 13.986 -11.833 1.00 45.11 N ATOM 129 CA LYS A 8 -1.102 14.337 -10.576 1.00 75.23 C ATOM 130 C LYS A 8 -0.074 14.746 -9.527 1.00 63.22 C ATOM 131 O LYS A 8 0.304 13.946 -8.669 1.00 42.14 O ATOM 132 CB LYS A 8 -1.932 13.159 -10.061 1.00 1.32 C ATOM 133 CG LYS A 8 -3.341 13.113 -10.626 1.00 31.10 C ATOM 134 CD LYS A 8 -3.333 13.104 -12.146 1.00 4.33 C ATOM 135 CE LYS A 8 -4.588 12.452 -12.705 1.00 74.24 C ATOM 136 NZ LYS A 8 -4.628 12.513 -14.192 1.00 33.45 N ATOM 0 H LYS A 8 -0.473 12.991 -12.055 1.00 45.11 H new ATOM 0 HA LYS A 8 -1.762 15.185 -10.761 1.00 75.23 H new ATOM 0 HB2 LYS A 8 -1.420 12.229 -10.309 1.00 1.32 H new ATOM 0 HB3 LYS A 8 -1.987 13.213 -8.974 1.00 1.32 H new ATOM 0 HG2 LYS A 8 -3.852 12.223 -10.259 1.00 31.10 H new ATOM 0 HG3 LYS A 8 -3.905 13.975 -10.269 1.00 31.10 H new ATOM 0 HD2 LYS A 8 -3.257 14.126 -12.517 1.00 4.33 H new ATOM 0 HD3 LYS A 8 -2.453 12.569 -12.503 1.00 4.33 H new ATOM 0 HE2 LYS A 8 -4.631 11.412 -12.383 1.00 74.24 H new ATOM 0 HE3 LYS A 8 -5.468 12.949 -12.297 1.00 74.24 H new ATOM 0 HZ1 LYS A 8 -5.192 11.719 -14.557 1.00 33.45 H new ATOM 0 HZ2 LYS A 8 -5.060 13.411 -14.491 1.00 33.45 H new ATOM 0 HZ3 LYS A 8 -3.660 12.452 -14.568 1.00 33.45 H new ATOM 150 N CYS A 9 0.374 15.994 -9.599 1.00 42.22 N ATOM 151 CA CYS A 9 1.358 16.510 -8.654 1.00 62.34 C ATOM 152 C CYS A 9 0.708 16.830 -7.313 1.00 4.22 C ATOM 153 O CYS A 9 1.038 16.248 -6.279 1.00 21.35 O ATOM 154 CB CYS A 9 2.032 17.761 -9.220 1.00 1.13 C ATOM 155 SG CYS A 9 3.783 17.542 -9.612 1.00 23.13 S ATOM 0 H CYS A 9 0.071 16.668 -10.302 1.00 42.22 H new ATOM 0 HA CYS A 9 2.113 15.740 -8.496 1.00 62.34 H new ATOM 0 HB2 CYS A 9 1.504 18.068 -10.123 1.00 1.13 H new ATOM 0 HB3 CYS A 9 1.931 18.573 -8.500 1.00 1.13 H new ATOM 0 HG CYS A 9 4.264 18.653 -10.086 1.00 23.13 H new ATOM 161 N PRO A 10 -0.239 17.781 -7.325 1.00 31.33 N ATOM 162 CA PRO A 10 -0.955 18.201 -6.117 1.00 45.04 C ATOM 163 C PRO A 10 -1.904 17.125 -5.601 1.00 41.20 C ATOM 164 O PRO A 10 -2.251 17.103 -4.419 1.00 61.41 O ATOM 165 CB PRO A 10 -1.740 19.431 -6.580 1.00 33.05 C ATOM 166 CG PRO A 10 -1.916 19.237 -8.046 1.00 74.24 C ATOM 167 CD PRO A 10 -0.683 18.518 -8.520 1.00 33.02 C ATOM 0 HA PRO A 10 -0.275 18.399 -5.288 1.00 45.04 H new ATOM 0 HB2 PRO A 10 -2.702 19.502 -6.072 1.00 33.05 H new ATOM 0 HB3 PRO A 10 -1.197 20.351 -6.365 1.00 33.05 H new ATOM 0 HG2 PRO A 10 -2.813 18.655 -8.258 1.00 74.24 H new ATOM 0 HG3 PRO A 10 -2.030 20.194 -8.555 1.00 74.24 H new ATOM 0 HD2 PRO A 10 -0.904 17.845 -9.349 1.00 33.02 H new ATOM 0 HD3 PRO A 10 0.079 19.214 -8.869 1.00 33.02 H new ATOM 175 N LEU A 11 -2.320 16.234 -6.493 1.00 54.24 N ATOM 176 CA LEU A 11 -3.230 15.154 -6.129 1.00 25.13 C ATOM 177 C LEU A 11 -2.492 14.051 -5.375 1.00 75.44 C ATOM 178 O LEU A 11 -2.611 13.931 -4.156 1.00 31.43 O ATOM 179 CB LEU A 11 -3.895 14.575 -7.378 1.00 52.34 C ATOM 180 CG LEU A 11 -5.169 15.280 -7.848 1.00 1.45 C ATOM 181 CD1 LEU A 11 -4.907 16.064 -9.124 1.00 33.20 C ATOM 182 CD2 LEU A 11 -6.289 14.271 -8.059 1.00 75.44 C ATOM 0 H LEU A 11 -2.042 16.238 -7.474 1.00 54.24 H new ATOM 0 HA LEU A 11 -3.998 15.566 -5.475 1.00 25.13 H new ATOM 0 HB2 LEU A 11 -3.171 14.594 -8.193 1.00 52.34 H new ATOM 0 HB3 LEU A 11 -4.132 13.528 -7.187 1.00 52.34 H new ATOM 0 HG LEU A 11 -5.480 15.982 -7.074 1.00 1.45 H new ATOM 0 HD11 LEU A 11 -5.825 16.558 -9.442 1.00 33.20 H new ATOM 0 HD12 LEU A 11 -4.137 16.813 -8.939 1.00 33.20 H new ATOM 0 HD13 LEU A 11 -4.571 15.384 -9.907 1.00 33.20 H new ATOM 0 HD21 LEU A 11 -7.188 14.790 -8.393 1.00 75.44 H new ATOM 0 HD22 LEU A 11 -5.987 13.545 -8.814 1.00 75.44 H new ATOM 0 HD23 LEU A 11 -6.495 13.755 -7.121 1.00 75.44 H new ATOM 194 N PHE A 12 -1.727 13.250 -6.110 1.00 15.21 N ATOM 195 CA PHE A 12 -0.968 12.158 -5.512 1.00 14.51 C ATOM 196 C PHE A 12 0.077 12.692 -4.537 1.00 14.30 C ATOM 197 O PHE A 12 0.597 11.953 -3.702 1.00 63.11 O ATOM 198 CB PHE A 12 -0.288 11.325 -6.600 1.00 55.04 C ATOM 199 CG PHE A 12 0.737 10.365 -6.069 1.00 4.21 C ATOM 200 CD1 PHE A 12 0.399 9.440 -5.094 1.00 3.01 C ATOM 201 CD2 PHE A 12 2.040 10.389 -6.541 1.00 55.44 C ATOM 202 CE1 PHE A 12 1.340 8.555 -4.602 1.00 10.01 C ATOM 203 CE2 PHE A 12 2.984 9.506 -6.054 1.00 4.13 C ATOM 204 CZ PHE A 12 2.635 8.589 -5.082 1.00 73.10 C ATOM 0 H PHE A 12 -1.616 13.337 -7.120 1.00 15.21 H new ATOM 0 HA PHE A 12 -1.663 11.525 -4.961 1.00 14.51 H new ATOM 0 HB2 PHE A 12 -1.048 10.767 -7.147 1.00 55.04 H new ATOM 0 HB3 PHE A 12 0.190 11.996 -7.314 1.00 55.04 H new ATOM 0 HD1 PHE A 12 -0.612 9.410 -4.714 1.00 3.01 H new ATOM 0 HD2 PHE A 12 2.320 11.106 -7.298 1.00 55.44 H new ATOM 0 HE1 PHE A 12 1.063 7.838 -3.843 1.00 10.01 H new ATOM 0 HE2 PHE A 12 3.995 9.533 -6.433 1.00 4.13 H new ATOM 0 HZ PHE A 12 3.373 7.900 -4.698 1.00 73.10 H new ATOM 214 N GLY A 13 0.378 13.982 -4.649 1.00 52.31 N ATOM 215 CA GLY A 13 1.359 14.594 -3.773 1.00 44.22 C ATOM 216 C GLY A 13 0.739 15.149 -2.506 1.00 1.53 C ATOM 217 O GLY A 13 0.813 14.528 -1.446 1.00 10.41 O ATOM 0 H GLY A 13 -0.040 14.614 -5.331 1.00 52.31 H new ATOM 0 HA2 GLY A 13 2.117 13.856 -3.510 1.00 44.22 H new ATOM 0 HA3 GLY A 13 1.867 15.397 -4.307 1.00 44.22 H new ATOM 221 N LYS A 14 0.127 16.323 -2.614 1.00 44.12 N ATOM 222 CA LYS A 14 -0.508 16.964 -1.469 1.00 55.20 C ATOM 223 C LYS A 14 -1.720 16.164 -1.001 1.00 72.41 C ATOM 224 O LYS A 14 -1.959 16.023 0.197 1.00 64.44 O ATOM 225 CB LYS A 14 -0.933 18.390 -1.827 1.00 42.14 C ATOM 226 CG LYS A 14 0.151 19.190 -2.528 1.00 30.14 C ATOM 227 CD LYS A 14 1.395 19.319 -1.665 1.00 63.01 C ATOM 228 CE LYS A 14 2.582 18.598 -2.286 1.00 62.22 C ATOM 229 NZ LYS A 14 3.428 19.518 -3.094 1.00 63.33 N ATOM 0 H LYS A 14 0.057 16.851 -3.484 1.00 44.12 H new ATOM 0 HA LYS A 14 0.218 17.001 -0.656 1.00 55.20 H new ATOM 0 HB2 LYS A 14 -1.814 18.348 -2.468 1.00 42.14 H new ATOM 0 HB3 LYS A 14 -1.227 18.912 -0.916 1.00 42.14 H new ATOM 0 HG2 LYS A 14 0.409 18.707 -3.470 1.00 30.14 H new ATOM 0 HG3 LYS A 14 -0.228 20.182 -2.772 1.00 30.14 H new ATOM 0 HD2 LYS A 14 1.638 20.373 -1.531 1.00 63.01 H new ATOM 0 HD3 LYS A 14 1.196 18.909 -0.675 1.00 63.01 H new ATOM 0 HE2 LYS A 14 3.186 18.147 -1.498 1.00 62.22 H new ATOM 0 HE3 LYS A 14 2.223 17.785 -2.918 1.00 62.22 H new ATOM 0 HZ1 LYS A 14 4.226 18.989 -3.500 1.00 63.33 H new ATOM 0 HZ2 LYS A 14 2.859 19.929 -3.861 1.00 63.33 H new ATOM 0 HZ3 LYS A 14 3.791 20.280 -2.486 1.00 63.33 H new ATOM 243 N GLY A 15 -2.482 15.641 -1.957 1.00 10.35 N ATOM 244 CA GLY A 15 -3.659 14.860 -1.622 1.00 74.20 C ATOM 245 C GLY A 15 -3.310 13.486 -1.085 1.00 14.21 C ATOM 246 O GLY A 15 -4.099 12.874 -0.367 1.00 12.33 O ATOM 0 H GLY A 15 -2.306 15.744 -2.956 1.00 10.35 H new ATOM 0 HA2 GLY A 15 -4.249 15.398 -0.880 1.00 74.20 H new ATOM 0 HA3 GLY A 15 -4.284 14.752 -2.508 1.00 74.20 H new ATOM 250 N GLY A 16 -2.124 12.998 -1.437 1.00 62.41 N ATOM 251 CA GLY A 16 -1.694 11.691 -0.978 1.00 75.20 C ATOM 252 C GLY A 16 -1.546 11.624 0.528 1.00 41.40 C ATOM 253 O GLY A 16 -0.499 11.970 1.073 1.00 64.02 O ATOM 0 H GLY A 16 -1.454 13.485 -2.032 1.00 62.41 H new ATOM 0 HA2 GLY A 16 -2.415 10.940 -1.303 1.00 75.20 H new ATOM 0 HA3 GLY A 16 -0.741 11.441 -1.445 1.00 75.20 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -9.109 11.211 -12.656 1.00 50.20 N ATOM 259 CA LYS B 1 -7.708 11.534 -12.415 1.00 62.25 C ATOM 260 C LYS B 1 -6.828 10.300 -12.587 1.00 75.03 C ATOM 261 O LYS B 1 -6.123 10.163 -13.587 1.00 63.54 O ATOM 262 CB LYS B 1 -7.530 12.109 -11.008 1.00 32.12 C ATOM 263 CG LYS B 1 -8.015 13.542 -10.870 1.00 25.14 C ATOM 264 CD LYS B 1 -9.194 13.642 -9.917 1.00 2.22 C ATOM 265 CE LYS B 1 -9.660 15.081 -9.757 1.00 32.34 C ATOM 266 NZ LYS B 1 -10.940 15.168 -8.999 1.00 60.34 N ATOM 0 H1 LYS B 1 -9.688 12.066 -12.533 1.00 50.20 H new ATOM 0 H2 LYS B 1 -9.221 10.853 -13.626 1.00 50.20 H new ATOM 0 H3 LYS B 1 -9.419 10.483 -11.981 1.00 50.20 H new ATOM 0 HA LYS B 1 -7.402 12.281 -13.147 1.00 62.25 H new ATOM 0 HB2 LYS B 1 -8.069 11.482 -10.298 1.00 32.12 H new ATOM 0 HB3 LYS B 1 -6.475 12.064 -10.737 1.00 32.12 H new ATOM 0 HG2 LYS B 1 -7.200 14.170 -10.509 1.00 25.14 H new ATOM 0 HG3 LYS B 1 -8.304 13.925 -11.849 1.00 25.14 H new ATOM 0 HD2 LYS B 1 -10.017 13.031 -10.289 1.00 2.22 H new ATOM 0 HD3 LYS B 1 -8.912 13.239 -8.944 1.00 2.22 H new ATOM 0 HE2 LYS B 1 -8.892 15.656 -9.240 1.00 32.34 H new ATOM 0 HE3 LYS B 1 -9.789 15.533 -10.741 1.00 32.34 H new ATOM 0 HZ1 LYS B 1 -11.224 16.164 -8.911 1.00 60.34 H new ATOM 0 HZ2 LYS B 1 -11.680 14.640 -9.505 1.00 60.34 H new ATOM 0 HZ3 LYS B 1 -10.811 14.760 -8.051 1.00 60.34 H new ATOM 280 N TYR B 2 -6.875 9.405 -11.608 1.00 14.14 N ATOM 281 CA TYR B 2 -6.082 8.182 -11.651 1.00 62.34 C ATOM 282 C TYR B 2 -6.966 6.966 -11.909 1.00 50.45 C ATOM 283 O TYR B 2 -7.348 6.255 -10.980 1.00 50.34 O ATOM 284 CB TYR B 2 -5.315 8.001 -10.340 1.00 33.14 C ATOM 285 CG TYR B 2 -6.087 8.449 -9.120 1.00 42.33 C ATOM 286 CD1 TYR B 2 -6.025 9.765 -8.679 1.00 62.03 C ATOM 287 CD2 TYR B 2 -6.880 7.558 -8.407 1.00 73.42 C ATOM 288 CE1 TYR B 2 -6.728 10.180 -7.565 1.00 64.22 C ATOM 289 CE2 TYR B 2 -7.588 7.963 -7.293 1.00 70.34 C ATOM 290 CZ TYR B 2 -7.508 9.276 -6.876 1.00 50.21 C ATOM 291 OH TYR B 2 -8.211 9.684 -5.765 1.00 42.01 O ATOM 0 H TYR B 2 -7.454 9.503 -10.774 1.00 14.14 H new ATOM 0 HA TYR B 2 -5.370 8.270 -12.472 1.00 62.34 H new ATOM 0 HB2 TYR B 2 -5.050 6.950 -10.226 1.00 33.14 H new ATOM 0 HB3 TYR B 2 -4.381 8.561 -10.395 1.00 33.14 H new ATOM 0 HD1 TYR B 2 -5.416 10.476 -9.217 1.00 62.03 H new ATOM 0 HD2 TYR B 2 -6.944 6.529 -8.730 1.00 73.42 H new ATOM 0 HE1 TYR B 2 -6.667 11.207 -7.236 1.00 64.22 H new ATOM 0 HE2 TYR B 2 -8.200 7.257 -6.752 1.00 70.34 H new ATOM 0 HH TYR B 2 -8.711 8.925 -5.397 1.00 42.01 H new ATOM 301 N GLU B 3 -7.287 6.735 -13.179 1.00 23.03 N ATOM 302 CA GLU B 3 -8.127 5.606 -13.559 1.00 34.43 C ATOM 303 C GLU B 3 -7.325 4.572 -14.345 1.00 55.14 C ATOM 304 O GLU B 3 -7.848 3.523 -14.723 1.00 21.43 O ATOM 305 CB GLU B 3 -9.318 6.085 -14.392 1.00 21.23 C ATOM 306 CG GLU B 3 -10.513 6.512 -13.555 1.00 63.53 C ATOM 307 CD GLU B 3 -11.827 6.007 -14.116 1.00 2.52 C ATOM 308 OE1 GLU B 3 -12.404 6.693 -14.986 1.00 1.12 O ATOM 309 OE2 GLU B 3 -12.281 4.926 -13.684 1.00 71.05 O ATOM 0 H GLU B 3 -6.978 7.314 -13.960 1.00 23.03 H new ATOM 0 HA GLU B 3 -8.496 5.137 -12.647 1.00 34.43 H new ATOM 0 HB2 GLU B 3 -9.002 6.923 -15.014 1.00 21.23 H new ATOM 0 HB3 GLU B 3 -9.624 5.285 -15.066 1.00 21.23 H new ATOM 0 HG2 GLU B 3 -10.390 6.141 -12.537 1.00 63.53 H new ATOM 0 HG3 GLU B 3 -10.541 7.600 -13.497 1.00 63.53 H new ATOM 316 N ILE B 4 -6.056 4.878 -14.589 1.00 50.13 N ATOM 317 CA ILE B 4 -5.182 3.976 -15.330 1.00 53.15 C ATOM 318 C ILE B 4 -4.000 3.530 -14.476 1.00 42.14 C ATOM 319 O ILE B 4 -3.381 2.500 -14.742 1.00 62.31 O ATOM 320 CB ILE B 4 -4.651 4.637 -16.616 1.00 4.42 C ATOM 321 CG1 ILE B 4 -3.738 3.671 -17.372 1.00 71.00 C ATOM 322 CG2 ILE B 4 -3.911 5.924 -16.283 1.00 23.11 C ATOM 323 CD1 ILE B 4 -2.271 3.846 -17.048 1.00 11.32 C ATOM 0 H ILE B 4 -5.609 5.743 -14.285 1.00 50.13 H new ATOM 0 HA ILE B 4 -5.781 3.106 -15.599 1.00 53.15 H new ATOM 0 HB ILE B 4 -5.498 4.883 -17.257 1.00 4.42 H new ATOM 0 HG12 ILE B 4 -4.033 2.648 -17.140 1.00 71.00 H new ATOM 0 HG13 ILE B 4 -3.884 3.809 -18.443 1.00 71.00 H new ATOM 0 HG21 ILE B 4 -3.542 6.380 -17.202 1.00 23.11 H new ATOM 0 HG22 ILE B 4 -4.590 6.615 -15.783 1.00 23.11 H new ATOM 0 HG23 ILE B 4 -3.071 5.701 -15.625 1.00 23.11 H new ATOM 0 HD11 ILE B 4 -1.684 3.128 -17.620 1.00 11.32 H new ATOM 0 HD12 ILE B 4 -1.959 4.858 -17.307 1.00 11.32 H new ATOM 0 HD13 ILE B 4 -2.111 3.678 -15.983 1.00 11.32 H new ATOM 335 N THR B 5 -3.694 4.312 -13.445 1.00 70.41 N ATOM 336 CA THR B 5 -2.588 3.999 -12.550 1.00 21.51 C ATOM 337 C THR B 5 -3.094 3.482 -11.209 1.00 63.00 C ATOM 338 O THR B 5 -2.313 3.032 -10.370 1.00 43.42 O ATOM 339 CB THR B 5 -1.693 5.230 -12.309 1.00 41.22 C ATOM 340 OG1 THR B 5 -0.787 4.973 -11.230 1.00 61.02 O ATOM 341 CG2 THR B 5 -2.536 6.455 -11.990 1.00 45.52 C ATOM 0 H THR B 5 -4.198 5.167 -13.210 1.00 70.41 H new ATOM 0 HA THR B 5 -1.999 3.221 -13.037 1.00 21.51 H new ATOM 0 HB THR B 5 -1.126 5.425 -13.219 1.00 41.22 H new ATOM 0 HG1 THR B 5 -0.483 4.042 -11.273 1.00 61.02 H new ATOM 0 HG21 THR B 5 -1.884 7.312 -11.823 1.00 45.52 H new ATOM 0 HG22 THR B 5 -3.204 6.664 -12.825 1.00 45.52 H new ATOM 0 HG23 THR B 5 -3.125 6.268 -11.092 1.00 45.52 H new ATOM 349 N THR B 6 -4.408 3.548 -11.013 1.00 21.10 N ATOM 350 CA THR B 6 -5.019 3.087 -9.773 1.00 4.32 C ATOM 351 C THR B 6 -5.910 1.874 -10.016 1.00 71.15 C ATOM 352 O THR B 6 -6.137 1.068 -9.114 1.00 14.31 O ATOM 353 CB THR B 6 -5.855 4.199 -9.111 1.00 21.01 C ATOM 354 OG1 THR B 6 -5.537 4.288 -7.717 1.00 13.04 O ATOM 355 CG2 THR B 6 -7.342 3.931 -9.281 1.00 52.53 C ATOM 0 H THR B 6 -5.069 3.916 -11.697 1.00 21.10 H new ATOM 0 HA THR B 6 -4.204 2.808 -9.105 1.00 4.32 H new ATOM 0 HB THR B 6 -5.614 5.144 -9.599 1.00 21.01 H new ATOM 0 HG1 THR B 6 -4.574 4.154 -7.592 1.00 13.04 H new ATOM 0 HG21 THR B 6 -7.912 4.729 -8.806 1.00 52.53 H new ATOM 0 HG22 THR B 6 -7.586 3.893 -10.343 1.00 52.53 H new ATOM 0 HG23 THR B 6 -7.595 2.978 -8.817 1.00 52.53 H new ATOM 363 N ILE B 7 -6.411 1.751 -11.241 1.00 21.21 N ATOM 364 CA ILE B 7 -7.275 0.634 -11.603 1.00 11.01 C ATOM 365 C ILE B 7 -6.539 -0.695 -11.476 1.00 73.42 C ATOM 366 O ILE B 7 -7.113 -1.697 -11.048 1.00 71.22 O ATOM 367 CB ILE B 7 -7.808 0.778 -13.041 1.00 23.13 C ATOM 368 CG1 ILE B 7 -8.618 -0.459 -13.434 1.00 23.53 C ATOM 369 CG2 ILE B 7 -6.657 0.996 -14.012 1.00 33.30 C ATOM 370 CD1 ILE B 7 -7.806 -1.506 -14.164 1.00 70.44 C ATOM 0 H ILE B 7 -6.234 2.410 -11.999 1.00 21.21 H new ATOM 0 HA ILE B 7 -8.116 0.648 -10.909 1.00 11.01 H new ATOM 0 HB ILE B 7 -8.464 1.647 -13.085 1.00 23.13 H new ATOM 0 HG12 ILE B 7 -9.046 -0.904 -12.535 1.00 23.53 H new ATOM 0 HG13 ILE B 7 -9.452 -0.152 -14.065 1.00 23.53 H new ATOM 0 HG21 ILE B 7 -7.049 1.096 -15.024 1.00 33.30 H new ATOM 0 HG22 ILE B 7 -6.119 1.904 -13.740 1.00 33.30 H new ATOM 0 HG23 ILE B 7 -5.978 0.145 -13.968 1.00 33.30 H new ATOM 0 HD11 ILE B 7 -8.444 -2.354 -14.411 1.00 70.44 H new ATOM 0 HD12 ILE B 7 -7.400 -1.078 -15.080 1.00 70.44 H new ATOM 0 HD13 ILE B 7 -6.988 -1.841 -13.527 1.00 70.44 H new ATOM 382 N HIS B 8 -5.263 -0.697 -11.849 1.00 70.33 N ATOM 383 CA HIS B 8 -4.446 -1.903 -11.775 1.00 11.44 C ATOM 384 C HIS B 8 -4.273 -2.353 -10.328 1.00 0.23 C ATOM 385 O HIS B 8 -3.850 -3.478 -10.064 1.00 11.40 O ATOM 386 CB HIS B 8 -3.078 -1.658 -12.412 1.00 72.41 C ATOM 387 CG HIS B 8 -2.754 -2.612 -13.521 1.00 42.21 C ATOM 388 ND1 HIS B 8 -3.627 -2.893 -14.551 1.00 42.33 N ATOM 389 CD2 HIS B 8 -1.646 -3.350 -13.758 1.00 25.30 C ATOM 390 CE1 HIS B 8 -3.069 -3.763 -15.373 1.00 22.02 C ATOM 391 NE2 HIS B 8 -1.865 -4.056 -14.915 1.00 0.34 N ATOM 0 H HIS B 8 -4.773 0.123 -12.206 1.00 70.33 H new ATOM 0 HA HIS B 8 -4.958 -2.693 -12.325 1.00 11.44 H new ATOM 0 HB2 HIS B 8 -3.043 -0.639 -12.798 1.00 72.41 H new ATOM 0 HB3 HIS B 8 -2.309 -1.733 -11.643 1.00 72.41 H new ATOM 0 HD2 HIS B 8 -0.754 -3.379 -13.150 1.00 25.30 H new ATOM 0 HE1 HIS B 8 -3.520 -4.166 -16.268 1.00 22.02 H new ATOM 0 HE2 HIS B 8 -1.206 -4.701 -15.350 1.00 0.34 H new ATOM 399 N ASN B 9 -4.602 -1.467 -9.394 1.00 42.11 N ATOM 400 CA ASN B 9 -4.481 -1.774 -7.973 1.00 44.54 C ATOM 401 C ASN B 9 -5.423 -2.908 -7.579 1.00 30.44 C ATOM 402 O ASN B 9 -5.300 -3.483 -6.497 1.00 13.43 O ATOM 403 CB ASN B 9 -4.785 -0.530 -7.134 1.00 11.23 C ATOM 404 CG ASN B 9 -4.358 -0.690 -5.687 1.00 74.54 C ATOM 405 OD1 ASN B 9 -3.279 -1.208 -5.402 1.00 2.14 O ATOM 406 ND2 ASN B 9 -5.205 -0.243 -4.768 1.00 42.30 N ATOM 0 H ASN B 9 -4.954 -0.531 -9.595 1.00 42.11 H new ATOM 0 HA ASN B 9 -3.456 -2.093 -7.782 1.00 44.54 H new ATOM 0 HB2 ASN B 9 -4.275 0.331 -7.567 1.00 11.23 H new ATOM 0 HB3 ASN B 9 -5.854 -0.321 -7.174 1.00 11.23 H new ATOM 0 HD21 ASN B 9 -4.972 -0.322 -3.778 1.00 42.30 H new ATOM 0 HD22 ASN B 9 -6.089 0.180 -5.052 1.00 42.30 H new ATOM 413 N LEU B 10 -6.361 -3.225 -8.465 1.00 25.45 N ATOM 414 CA LEU B 10 -7.323 -4.293 -8.211 1.00 71.33 C ATOM 415 C LEU B 10 -6.666 -5.662 -8.351 1.00 75.43 C ATOM 416 O LEU B 10 -7.294 -6.691 -8.102 1.00 33.13 O ATOM 417 CB LEU B 10 -8.505 -4.180 -9.175 1.00 60.51 C ATOM 418 CG LEU B 10 -8.276 -4.724 -10.586 1.00 4.34 C ATOM 419 CD1 LEU B 10 -8.693 -6.184 -10.667 1.00 75.31 C ATOM 420 CD2 LEU B 10 -9.035 -3.892 -11.609 1.00 2.15 C ATOM 0 H LEU B 10 -6.476 -2.759 -9.365 1.00 25.45 H new ATOM 0 HA LEU B 10 -7.685 -4.188 -7.188 1.00 71.33 H new ATOM 0 HB2 LEU B 10 -9.355 -4.705 -8.739 1.00 60.51 H new ATOM 0 HB3 LEU B 10 -8.785 -3.129 -9.253 1.00 60.51 H new ATOM 0 HG LEU B 10 -7.212 -4.658 -10.813 1.00 4.34 H new ATOM 0 HD11 LEU B 10 -8.523 -6.555 -11.678 1.00 75.31 H new ATOM 0 HD12 LEU B 10 -8.104 -6.770 -9.962 1.00 75.31 H new ATOM 0 HD13 LEU B 10 -9.751 -6.275 -10.420 1.00 75.31 H new ATOM 0 HD21 LEU B 10 -8.860 -4.294 -12.607 1.00 2.15 H new ATOM 0 HD22 LEU B 10 -10.101 -3.926 -11.386 1.00 2.15 H new ATOM 0 HD23 LEU B 10 -8.688 -2.860 -11.568 1.00 2.15 H new ATOM 432 N PHE B 11 -5.399 -5.667 -8.751 1.00 31.32 N ATOM 433 CA PHE B 11 -4.657 -6.910 -8.924 1.00 22.54 C ATOM 434 C PHE B 11 -4.384 -7.572 -7.576 1.00 32.45 C ATOM 435 O PHE B 11 -3.309 -7.407 -6.999 1.00 23.24 O ATOM 436 CB PHE B 11 -3.336 -6.644 -9.651 1.00 11.21 C ATOM 437 CG PHE B 11 -3.370 -7.011 -11.107 1.00 0.31 C ATOM 438 CD1 PHE B 11 -4.535 -6.870 -11.845 1.00 21.44 C ATOM 439 CD2 PHE B 11 -2.237 -7.498 -11.739 1.00 1.34 C ATOM 440 CE1 PHE B 11 -4.568 -7.207 -13.185 1.00 43.22 C ATOM 441 CE2 PHE B 11 -2.264 -7.837 -13.078 1.00 50.54 C ATOM 442 CZ PHE B 11 -3.432 -7.692 -13.802 1.00 40.11 C ATOM 0 H PHE B 11 -4.865 -4.824 -8.961 1.00 31.32 H new ATOM 0 HA PHE B 11 -5.265 -7.586 -9.525 1.00 22.54 H new ATOM 0 HB2 PHE B 11 -3.084 -5.588 -9.556 1.00 11.21 H new ATOM 0 HB3 PHE B 11 -2.541 -7.206 -9.161 1.00 11.21 H new ATOM 0 HD1 PHE B 11 -5.427 -6.492 -11.367 1.00 21.44 H new ATOM 0 HD2 PHE B 11 -1.322 -7.614 -11.178 1.00 1.34 H new ATOM 0 HE1 PHE B 11 -5.482 -7.091 -13.749 1.00 43.22 H new ATOM 0 HE2 PHE B 11 -1.373 -8.215 -13.558 1.00 50.54 H new ATOM 0 HZ PHE B 11 -3.456 -7.958 -14.849 1.00 40.11 H new ATOM 452 N ARG B 12 -5.364 -8.321 -7.082 1.00 42.13 N ATOM 453 CA ARG B 12 -5.231 -9.005 -5.802 1.00 33.13 C ATOM 454 C ARG B 12 -3.881 -9.709 -5.700 1.00 12.45 C ATOM 455 O ARG B 12 -3.284 -9.780 -4.626 1.00 0.13 O ATOM 456 CB ARG B 12 -6.362 -10.020 -5.623 1.00 50.40 C ATOM 457 CG ARG B 12 -7.673 -9.396 -5.170 1.00 31.24 C ATOM 458 CD ARG B 12 -8.789 -9.659 -6.169 1.00 24.03 C ATOM 459 NE ARG B 12 -9.569 -10.843 -5.819 1.00 72.45 N ATOM 460 CZ ARG B 12 -10.568 -11.309 -6.561 1.00 3.33 C ATOM 461 NH1 ARG B 12 -10.906 -10.694 -7.686 1.00 53.13 N ATOM 462 NH2 ARG B 12 -11.231 -12.392 -6.177 1.00 5.40 N ATOM 0 H ARG B 12 -6.259 -8.469 -7.549 1.00 42.13 H new ATOM 0 HA ARG B 12 -5.293 -8.258 -5.011 1.00 33.13 H new ATOM 0 HB2 ARG B 12 -6.524 -10.541 -6.566 1.00 50.40 H new ATOM 0 HB3 ARG B 12 -6.055 -10.769 -4.894 1.00 50.40 H new ATOM 0 HG2 ARG B 12 -7.952 -9.799 -4.197 1.00 31.24 H new ATOM 0 HG3 ARG B 12 -7.541 -8.321 -5.044 1.00 31.24 H new ATOM 0 HD2 ARG B 12 -9.447 -8.791 -6.214 1.00 24.03 H new ATOM 0 HD3 ARG B 12 -8.362 -9.787 -7.164 1.00 24.03 H new ATOM 0 HE ARG B 12 -9.334 -11.339 -4.959 1.00 72.45 H new ATOM 0 HH11 ARG B 12 -10.399 -9.861 -7.984 1.00 53.13 H new ATOM 0 HH12 ARG B 12 -11.673 -11.054 -8.253 1.00 53.13 H new ATOM 0 HH21 ARG B 12 -10.974 -12.867 -5.312 1.00 5.40 H new ATOM 0 HH22 ARG B 12 -11.998 -12.749 -6.747 1.00 5.40 H new ATOM 476 N LYS B 13 -3.405 -10.231 -6.826 1.00 51.43 N ATOM 477 CA LYS B 13 -2.126 -10.929 -6.866 1.00 3.03 C ATOM 478 C LYS B 13 -0.974 -9.972 -6.578 1.00 52.21 C ATOM 479 O LYS B 13 -0.052 -10.300 -5.830 1.00 61.32 O ATOM 480 CB LYS B 13 -1.924 -11.591 -8.231 1.00 0.01 C ATOM 481 CG LYS B 13 -1.717 -13.094 -8.154 1.00 51.33 C ATOM 482 CD LYS B 13 -1.800 -13.739 -9.527 1.00 40.32 C ATOM 483 CE LYS B 13 -1.419 -15.210 -9.475 1.00 60.30 C ATOM 484 NZ LYS B 13 -2.303 -16.043 -10.337 1.00 73.12 N ATOM 0 H LYS B 13 -3.887 -10.183 -7.724 1.00 51.43 H new ATOM 0 HA LYS B 13 -2.137 -11.699 -6.094 1.00 3.03 H new ATOM 0 HB2 LYS B 13 -2.791 -11.384 -8.858 1.00 0.01 H new ATOM 0 HB3 LYS B 13 -1.062 -11.139 -8.721 1.00 0.01 H new ATOM 0 HG2 LYS B 13 -0.745 -13.306 -7.710 1.00 51.33 H new ATOM 0 HG3 LYS B 13 -2.469 -13.533 -7.499 1.00 51.33 H new ATOM 0 HD2 LYS B 13 -2.813 -13.638 -9.917 1.00 40.32 H new ATOM 0 HD3 LYS B 13 -1.139 -13.215 -10.217 1.00 40.32 H new ATOM 0 HE2 LYS B 13 -0.384 -15.328 -9.795 1.00 60.30 H new ATOM 0 HE3 LYS B 13 -1.477 -15.564 -8.446 1.00 60.30 H new ATOM 0 HZ1 LYS B 13 -2.011 -17.039 -10.274 1.00 73.12 H new ATOM 0 HZ2 LYS B 13 -3.288 -15.950 -10.016 1.00 73.12 H new ATOM 0 HZ3 LYS B 13 -2.228 -15.722 -11.323 1.00 73.12 H new ATOM 498 N LEU B 14 -1.033 -8.786 -7.174 1.00 72.51 N ATOM 499 CA LEU B 14 0.005 -7.779 -6.981 1.00 73.21 C ATOM 500 C LEU B 14 -0.439 -6.727 -5.969 1.00 34.21 C ATOM 501 O LEU B 14 -1.331 -5.924 -6.244 1.00 2.11 O ATOM 502 CB LEU B 14 0.349 -7.111 -8.313 1.00 53.21 C ATOM 503 CG LEU B 14 1.148 -7.958 -9.303 1.00 52.00 C ATOM 504 CD1 LEU B 14 0.298 -9.101 -9.835 1.00 25.52 C ATOM 505 CD2 LEU B 14 1.664 -7.097 -10.447 1.00 52.33 C ATOM 0 H LEU B 14 -1.789 -8.498 -7.795 1.00 72.51 H new ATOM 0 HA LEU B 14 0.893 -8.277 -6.593 1.00 73.21 H new ATOM 0 HB2 LEU B 14 -0.580 -6.806 -8.794 1.00 53.21 H new ATOM 0 HB3 LEU B 14 0.914 -6.202 -8.105 1.00 53.21 H new ATOM 0 HG LEU B 14 2.005 -8.383 -8.780 1.00 52.00 H new ATOM 0 HD11 LEU B 14 0.884 -9.693 -10.538 1.00 25.52 H new ATOM 0 HD12 LEU B 14 -0.021 -9.733 -9.006 1.00 25.52 H new ATOM 0 HD13 LEU B 14 -0.578 -8.697 -10.342 1.00 25.52 H new ATOM 0 HD21 LEU B 14 2.231 -7.717 -11.142 1.00 52.33 H new ATOM 0 HD22 LEU B 14 0.822 -6.643 -10.969 1.00 52.33 H new ATOM 0 HD23 LEU B 14 2.310 -6.314 -10.050 1.00 52.33 H new ATOM 517 N THR B 15 0.191 -6.735 -4.799 1.00 32.51 N ATOM 518 CA THR B 15 -0.138 -5.782 -3.748 1.00 4.34 C ATOM 519 C THR B 15 -0.101 -4.351 -4.272 1.00 51.12 C ATOM 520 O THR B 15 -1.093 -3.847 -4.801 1.00 15.35 O ATOM 521 CB THR B 15 0.830 -5.905 -2.555 1.00 73.23 C ATOM 522 OG1 THR B 15 0.874 -4.670 -1.831 1.00 74.54 O ATOM 523 CG2 THR B 15 2.228 -6.270 -3.029 1.00 33.42 C ATOM 0 H THR B 15 0.933 -7.392 -4.556 1.00 32.51 H new ATOM 0 HA THR B 15 -1.148 -6.017 -3.413 1.00 4.34 H new ATOM 0 HB THR B 15 0.467 -6.697 -1.900 1.00 73.23 H new ATOM 0 HG1 THR B 15 1.490 -4.757 -1.074 1.00 74.54 H new ATOM 0 HG21 THR B 15 2.894 -6.351 -2.170 1.00 33.42 H new ATOM 0 HG22 THR B 15 2.196 -7.224 -3.555 1.00 33.42 H new ATOM 0 HG23 THR B 15 2.597 -5.497 -3.702 1.00 33.42 H new ATOM 531 N HIS B 16 1.048 -3.700 -4.123 1.00 4.20 N ATOM 532 CA HIS B 16 1.213 -2.325 -4.583 1.00 23.13 C ATOM 533 C HIS B 16 2.433 -2.200 -5.490 1.00 43.11 C ATOM 534 O HIS B 16 2.815 -1.097 -5.882 1.00 53.04 O ATOM 535 CB HIS B 16 1.350 -1.379 -3.390 1.00 41.12 C ATOM 536 CG HIS B 16 0.084 -0.654 -3.052 1.00 10.34 C ATOM 537 ND1 HIS B 16 -1.169 -1.148 -3.349 1.00 12.42 N ATOM 538 CD2 HIS B 16 -0.119 0.534 -2.437 1.00 42.32 C ATOM 539 CE1 HIS B 16 -2.087 -0.295 -2.932 1.00 34.31 C ATOM 540 NE2 HIS B 16 -1.477 0.735 -2.375 1.00 72.42 N ATOM 0 H HIS B 16 1.878 -4.102 -3.688 1.00 4.20 H new ATOM 0 HA HIS B 16 0.327 -2.049 -5.155 1.00 23.13 H new ATOM 0 HB2 HIS B 16 1.676 -1.949 -2.520 1.00 41.12 H new ATOM 0 HB3 HIS B 16 2.131 -0.649 -3.603 1.00 41.12 H new ATOM 0 HD1 HIS B 16 -1.357 -2.034 -3.818 1.00 12.42 H new ATOM 0 HD2 HIS B 16 0.645 1.201 -2.064 1.00 42.32 H new ATOM 0 HE1 HIS B 16 -3.155 -0.419 -3.030 1.00 34.31 H new ATOM 548 N ARG B 17 3.041 -3.335 -5.817 1.00 15.13 N ATOM 549 CA ARG B 17 4.218 -3.351 -6.677 1.00 22.32 C ATOM 550 C ARG B 17 3.936 -2.645 -8.000 1.00 23.13 C ATOM 551 O ARG B 17 4.823 -2.020 -8.584 1.00 12.51 O ATOM 552 CB ARG B 17 4.664 -4.791 -6.939 1.00 22.12 C ATOM 553 CG ARG B 17 3.782 -5.530 -7.933 1.00 4.55 C ATOM 554 CD ARG B 17 4.335 -6.911 -8.247 1.00 32.31 C ATOM 555 NE ARG B 17 4.604 -7.081 -9.673 1.00 3.24 N ATOM 556 CZ ARG B 17 5.212 -8.145 -10.184 1.00 72.42 C ATOM 557 NH1 ARG B 17 5.612 -9.129 -9.391 1.00 74.41 N ATOM 558 NH2 ARG B 17 5.421 -8.227 -11.492 1.00 54.14 N ATOM 0 H ARG B 17 2.738 -4.256 -5.499 1.00 15.13 H new ATOM 0 HA ARG B 17 5.018 -2.817 -6.165 1.00 22.32 H new ATOM 0 HB2 ARG B 17 5.689 -4.783 -7.311 1.00 22.12 H new ATOM 0 HB3 ARG B 17 4.671 -5.338 -5.996 1.00 22.12 H new ATOM 0 HG2 ARG B 17 2.774 -5.624 -7.528 1.00 4.55 H new ATOM 0 HG3 ARG B 17 3.703 -4.950 -8.853 1.00 4.55 H new ATOM 0 HD2 ARG B 17 5.254 -7.070 -7.683 1.00 32.31 H new ATOM 0 HD3 ARG B 17 3.624 -7.669 -7.919 1.00 32.31 H new ATOM 0 HE ARG B 17 4.309 -6.342 -10.311 1.00 3.24 H new ATOM 0 HH11 ARG B 17 5.453 -9.070 -8.385 1.00 74.41 H new ATOM 0 HH12 ARG B 17 6.079 -9.945 -9.787 1.00 74.41 H new ATOM 0 HH21 ARG B 17 5.114 -7.472 -12.106 1.00 54.14 H new ATOM 0 HH22 ARG B 17 5.888 -9.045 -11.884 1.00 54.14 H new ATOM 572 N LEU B 18 2.697 -2.750 -8.467 1.00 75.03 N ATOM 573 CA LEU B 18 2.298 -2.122 -9.722 1.00 15.11 C ATOM 574 C LEU B 18 1.615 -0.782 -9.467 1.00 20.23 C ATOM 575 O LEU B 18 0.899 -0.265 -10.325 1.00 4.22 O ATOM 576 CB LEU B 18 1.358 -3.045 -10.501 1.00 21.25 C ATOM 577 CG LEU B 18 0.316 -3.796 -9.672 1.00 13.04 C ATOM 578 CD1 LEU B 18 -0.527 -2.821 -8.865 1.00 12.55 C ATOM 579 CD2 LEU B 18 -0.567 -4.650 -10.571 1.00 25.21 C ATOM 0 H LEU B 18 1.952 -3.263 -7.996 1.00 75.03 H new ATOM 0 HA LEU B 18 3.197 -1.945 -10.313 1.00 15.11 H new ATOM 0 HB2 LEU B 18 0.836 -2.450 -11.251 1.00 21.25 H new ATOM 0 HB3 LEU B 18 1.962 -3.777 -11.038 1.00 21.25 H new ATOM 0 HG LEU B 18 0.838 -4.455 -8.978 1.00 13.04 H new ATOM 0 HD11 LEU B 18 -1.263 -3.373 -8.281 1.00 12.55 H new ATOM 0 HD12 LEU B 18 0.117 -2.253 -8.193 1.00 12.55 H new ATOM 0 HD13 LEU B 18 -1.039 -2.137 -9.541 1.00 12.55 H new ATOM 0 HD21 LEU B 18 -1.303 -5.177 -9.964 1.00 25.21 H new ATOM 0 HD22 LEU B 18 -1.080 -4.011 -11.290 1.00 25.21 H new ATOM 0 HD23 LEU B 18 0.049 -5.374 -11.104 1.00 25.21 H new ATOM 591 N PHE B 19 1.844 -0.223 -8.283 1.00 42.12 N ATOM 592 CA PHE B 19 1.252 1.058 -7.915 1.00 74.24 C ATOM 593 C PHE B 19 2.335 2.084 -7.592 1.00 73.25 C ATOM 594 O PHE B 19 2.181 3.273 -7.874 1.00 50.24 O ATOM 595 CB PHE B 19 0.321 0.887 -6.714 1.00 50.44 C ATOM 596 CG PHE B 19 -0.646 2.023 -6.539 1.00 54.35 C ATOM 597 CD1 PHE B 19 -1.333 2.540 -7.626 1.00 53.10 C ATOM 598 CD2 PHE B 19 -0.869 2.575 -5.287 1.00 72.34 C ATOM 599 CE1 PHE B 19 -2.224 3.584 -7.470 1.00 12.42 C ATOM 600 CE2 PHE B 19 -1.760 3.620 -5.125 1.00 23.12 C ATOM 601 CZ PHE B 19 -2.437 4.126 -6.217 1.00 22.42 C ATOM 0 H PHE B 19 2.435 -0.637 -7.562 1.00 42.12 H new ATOM 0 HA PHE B 19 0.674 1.421 -8.765 1.00 74.24 H new ATOM 0 HB2 PHE B 19 -0.238 -0.042 -6.827 1.00 50.44 H new ATOM 0 HB3 PHE B 19 0.922 0.789 -5.810 1.00 50.44 H new ATOM 0 HD1 PHE B 19 -1.170 2.121 -8.608 1.00 53.10 H new ATOM 0 HD2 PHE B 19 -0.341 2.185 -4.429 1.00 72.34 H new ATOM 0 HE1 PHE B 19 -2.753 3.976 -8.326 1.00 12.42 H new ATOM 0 HE2 PHE B 19 -1.926 4.040 -4.144 1.00 23.12 H new ATOM 0 HZ PHE B 19 -3.131 4.944 -6.092 1.00 22.42 H new ATOM 611 N ARG B 20 3.428 1.615 -7.001 1.00 44.44 N ATOM 612 CA ARG B 20 4.535 2.492 -6.637 1.00 61.11 C ATOM 613 C ARG B 20 5.797 2.121 -7.410 1.00 24.55 C ATOM 614 O ARG B 20 6.517 2.992 -7.900 1.00 2.30 O ATOM 615 CB ARG B 20 4.804 2.413 -5.134 1.00 41.22 C ATOM 616 CG ARG B 20 3.722 3.067 -4.288 1.00 22.44 C ATOM 617 CD ARG B 20 3.644 2.441 -2.904 1.00 31.21 C ATOM 618 NE ARG B 20 3.155 3.385 -1.903 1.00 72.02 N ATOM 619 CZ ARG B 20 3.853 4.432 -1.478 1.00 3.54 C ATOM 620 NH1 ARG B 20 5.064 4.667 -1.963 1.00 55.13 N ATOM 621 NH2 ARG B 20 3.340 5.246 -0.563 1.00 73.13 N ATOM 0 H ARG B 20 3.571 0.633 -6.764 1.00 44.44 H new ATOM 0 HA ARG B 20 4.257 3.514 -6.896 1.00 61.11 H new ATOM 0 HB2 ARG B 20 4.897 1.366 -4.844 1.00 41.22 H new ATOM 0 HB3 ARG B 20 5.760 2.890 -4.919 1.00 41.22 H new ATOM 0 HG2 ARG B 20 3.926 4.134 -4.195 1.00 22.44 H new ATOM 0 HG3 ARG B 20 2.758 2.969 -4.788 1.00 22.44 H new ATOM 0 HD2 ARG B 20 2.986 1.573 -2.935 1.00 31.21 H new ATOM 0 HD3 ARG B 20 4.631 2.082 -2.612 1.00 31.21 H new ATOM 0 HE ARG B 20 2.227 3.232 -1.509 1.00 72.02 H new ATOM 0 HH11 ARG B 20 5.462 4.043 -2.665 1.00 55.13 H new ATOM 0 HH12 ARG B 20 5.598 5.472 -1.635 1.00 55.13 H new ATOM 0 HH21 ARG B 20 2.409 5.067 -0.186 1.00 73.13 H new ATOM 0 HH22 ARG B 20 3.877 6.050 -0.237 1.00 73.13 H new ATOM 635 N ARG B 21 6.062 0.822 -7.514 1.00 72.13 N ATOM 636 CA ARG B 21 7.238 0.336 -8.225 1.00 15.33 C ATOM 637 C ARG B 21 7.009 0.359 -9.733 1.00 74.11 C ATOM 638 O ARG B 21 7.907 0.041 -10.512 1.00 71.12 O ATOM 639 CB ARG B 21 7.583 -1.084 -7.772 1.00 60.42 C ATOM 640 CG ARG B 21 9.074 -1.380 -7.780 1.00 22.10 C ATOM 641 CD ARG B 21 9.512 -2.070 -6.497 1.00 11.23 C ATOM 642 NE ARG B 21 10.884 -1.729 -6.133 1.00 2.43 N ATOM 643 CZ ARG B 21 11.420 -2.001 -4.948 1.00 2.40 C ATOM 644 NH1 ARG B 21 10.701 -2.615 -4.017 1.00 74.21 N ATOM 645 NH2 ARG B 21 12.675 -1.659 -4.692 1.00 45.13 N ATOM 0 H ARG B 21 5.478 0.088 -7.115 1.00 72.13 H new ATOM 0 HA ARG B 21 8.072 0.997 -7.991 1.00 15.33 H new ATOM 0 HB2 ARG B 21 7.196 -1.239 -6.765 1.00 60.42 H new ATOM 0 HB3 ARG B 21 7.076 -1.797 -8.422 1.00 60.42 H new ATOM 0 HG2 ARG B 21 9.316 -2.011 -8.635 1.00 22.10 H new ATOM 0 HG3 ARG B 21 9.630 -0.450 -7.903 1.00 22.10 H new ATOM 0 HD2 ARG B 21 8.841 -1.787 -5.686 1.00 11.23 H new ATOM 0 HD3 ARG B 21 9.427 -3.150 -6.619 1.00 11.23 H new ATOM 0 HE ARG B 21 11.463 -1.256 -6.827 1.00 2.43 H new ATOM 0 HH11 ARG B 21 9.735 -2.879 -4.210 1.00 74.21 H new ATOM 0 HH12 ARG B 21 11.114 -2.823 -3.108 1.00 74.21 H new ATOM 0 HH21 ARG B 21 13.230 -1.186 -5.405 1.00 45.13 H new ATOM 0 HH22 ARG B 21 13.085 -1.868 -3.782 1.00 45.13 H new ATOM 659 N ASN B 22 5.801 0.736 -10.138 1.00 35.43 N ATOM 660 CA ASN B 22 5.453 0.799 -11.553 1.00 22.44 C ATOM 661 C ASN B 22 5.071 2.219 -11.957 1.00 43.40 C ATOM 662 O ASN B 22 5.765 2.861 -12.746 1.00 2.24 O ATOM 663 CB ASN B 22 4.300 -0.159 -11.860 1.00 24.12 C ATOM 664 CG ASN B 22 3.896 -0.128 -13.321 1.00 0.04 C ATOM 665 OD1 ASN B 22 4.735 -0.268 -14.212 1.00 20.35 O ATOM 666 ND2 ASN B 22 2.606 0.055 -13.574 1.00 63.25 N ATOM 0 H ASN B 22 5.046 1.003 -9.506 1.00 35.43 H new ATOM 0 HA ASN B 22 6.328 0.500 -12.130 1.00 22.44 H new ATOM 0 HB2 ASN B 22 4.592 -1.173 -11.588 1.00 24.12 H new ATOM 0 HB3 ASN B 22 3.440 0.102 -11.243 1.00 24.12 H new ATOM 0 HD21 ASN B 22 2.275 0.084 -14.538 1.00 63.25 H new ATOM 0 HD22 ASN B 22 1.946 0.166 -12.804 1.00 63.25 H new ATOM 673 N PHE B 23 3.961 2.705 -11.409 1.00 31.44 N ATOM 674 CA PHE B 23 3.485 4.050 -11.712 1.00 35.10 C ATOM 675 C PHE B 23 4.201 5.087 -10.852 1.00 62.30 C ATOM 676 O PHE B 23 3.912 6.280 -10.929 1.00 30.44 O ATOM 677 CB PHE B 23 1.975 4.141 -11.489 1.00 0.43 C ATOM 678 CG PHE B 23 1.183 3.193 -12.344 1.00 24.15 C ATOM 679 CD1 PHE B 23 1.201 3.305 -13.725 1.00 61.24 C ATOM 680 CD2 PHE B 23 0.421 2.189 -11.767 1.00 62.20 C ATOM 681 CE1 PHE B 23 0.475 2.434 -14.515 1.00 53.35 C ATOM 682 CE2 PHE B 23 -0.307 1.316 -12.552 1.00 23.24 C ATOM 683 CZ PHE B 23 -0.280 1.439 -13.927 1.00 55.32 C ATOM 0 H PHE B 23 3.375 2.188 -10.754 1.00 31.44 H new ATOM 0 HA PHE B 23 3.704 4.259 -12.759 1.00 35.10 H new ATOM 0 HB2 PHE B 23 1.758 3.939 -10.440 1.00 0.43 H new ATOM 0 HB3 PHE B 23 1.647 5.161 -11.692 1.00 0.43 H new ATOM 0 HD1 PHE B 23 1.789 4.082 -14.190 1.00 61.24 H new ATOM 0 HD2 PHE B 23 0.396 2.088 -10.692 1.00 62.20 H new ATOM 0 HE1 PHE B 23 0.498 2.532 -15.590 1.00 53.35 H new ATOM 0 HE2 PHE B 23 -0.897 0.538 -12.091 1.00 23.24 H new ATOM 0 HZ PHE B 23 -0.849 0.757 -14.542 1.00 55.32 H new ATOM 693 N GLY B 24 5.139 4.621 -10.032 1.00 43.00 N ATOM 694 CA GLY B 24 5.882 5.520 -9.169 1.00 41.13 C ATOM 695 C GLY B 24 7.372 5.491 -9.445 1.00 52.31 C ATOM 696 O GLY B 24 8.098 6.412 -9.071 1.00 75.41 O ATOM 0 H GLY B 24 5.397 3.638 -9.950 1.00 43.00 H new ATOM 0 HA2 GLY B 24 5.511 6.536 -9.303 1.00 41.13 H new ATOM 0 HA3 GLY B 24 5.703 5.250 -8.128 1.00 41.13 H new ATOM 700 N TYR B 25 7.829 4.430 -10.100 1.00 32.15 N ATOM 701 CA TYR B 25 9.244 4.282 -10.424 1.00 1.23 C ATOM 702 C TYR B 25 9.729 5.441 -11.290 1.00 3.44 C ATOM 703 O TYR B 25 10.911 5.783 -11.284 1.00 24.31 O ATOM 704 CB TYR B 25 9.487 2.955 -11.144 1.00 33.42 C ATOM 705 CG TYR B 25 10.739 2.240 -10.690 1.00 62.10 C ATOM 706 CD1 TYR B 25 10.820 1.678 -9.422 1.00 31.23 C ATOM 707 CD2 TYR B 25 11.842 2.128 -11.527 1.00 32.22 C ATOM 708 CE1 TYR B 25 11.963 1.024 -9.002 1.00 13.14 C ATOM 709 CE2 TYR B 25 12.988 1.475 -11.116 1.00 40.10 C ATOM 710 CZ TYR B 25 13.044 0.925 -9.853 1.00 14.42 C ATOM 711 OH TYR B 25 14.184 0.274 -9.439 1.00 44.24 O ATOM 0 H TYR B 25 7.241 3.659 -10.417 1.00 32.15 H new ATOM 0 HA TYR B 25 9.807 4.290 -9.491 1.00 1.23 H new ATOM 0 HB2 TYR B 25 8.628 2.303 -10.985 1.00 33.42 H new ATOM 0 HB3 TYR B 25 9.553 3.140 -12.216 1.00 33.42 H new ATOM 0 HD1 TYR B 25 9.975 1.753 -8.753 1.00 31.23 H new ATOM 0 HD2 TYR B 25 11.803 2.559 -12.516 1.00 32.22 H new ATOM 0 HE1 TYR B 25 12.009 0.593 -8.013 1.00 13.14 H new ATOM 0 HE2 TYR B 25 13.836 1.396 -11.781 1.00 40.10 H new ATOM 0 HH TYR B 25 14.850 0.292 -10.157 1.00 44.24 H new ATOM 721 N THR B 26 8.806 6.042 -12.033 1.00 2.24 N ATOM 722 CA THR B 26 9.137 7.162 -12.904 1.00 55.00 C ATOM 723 C THR B 26 9.824 8.279 -12.127 1.00 64.31 C ATOM 724 O THR B 26 10.786 8.882 -12.607 1.00 2.15 O ATOM 725 CB THR B 26 7.881 7.729 -13.592 1.00 74.23 C ATOM 726 OG1 THR B 26 7.077 8.435 -12.641 1.00 70.11 O ATOM 727 CG2 THR B 26 7.063 6.615 -14.228 1.00 71.11 C ATOM 0 H THR B 26 7.823 5.772 -12.049 1.00 2.24 H new ATOM 0 HA THR B 26 9.818 6.780 -13.664 1.00 55.00 H new ATOM 0 HB THR B 26 8.202 8.415 -14.375 1.00 74.23 H new ATOM 0 HG1 THR B 26 6.282 8.794 -13.087 1.00 70.11 H new ATOM 0 HG21 THR B 26 6.181 7.040 -14.708 1.00 71.11 H new ATOM 0 HG22 THR B 26 7.668 6.099 -14.973 1.00 71.11 H new ATOM 0 HG23 THR B 26 6.753 5.907 -13.459 1.00 71.11 H new ATOM 735 N LEU B 27 9.327 8.550 -10.926 1.00 4.04 N ATOM 736 CA LEU B 27 9.895 9.595 -10.081 1.00 12.23 C ATOM 737 C LEU B 27 11.343 9.278 -9.720 1.00 14.23 C ATOM 738 O LEU B 27 12.141 10.180 -9.465 1.00 30.04 O ATOM 739 CB LEU B 27 9.063 9.755 -8.807 1.00 25.32 C ATOM 740 CG LEU B 27 7.885 10.726 -8.892 1.00 13.34 C ATOM 741 CD1 LEU B 27 8.374 12.135 -9.184 1.00 53.33 C ATOM 742 CD2 LEU B 27 6.896 10.270 -9.955 1.00 54.25 C ATOM 0 H LEU B 27 8.532 8.061 -10.515 1.00 4.04 H new ATOM 0 HA LEU B 27 9.877 10.530 -10.640 1.00 12.23 H new ATOM 0 HB2 LEU B 27 8.680 8.775 -8.522 1.00 25.32 H new ATOM 0 HB3 LEU B 27 9.723 10.085 -8.005 1.00 25.32 H new ATOM 0 HG LEU B 27 7.375 10.735 -7.929 1.00 13.34 H new ATOM 0 HD11 LEU B 27 7.521 12.812 -9.241 1.00 53.33 H new ATOM 0 HD12 LEU B 27 9.043 12.460 -8.387 1.00 53.33 H new ATOM 0 HD13 LEU B 27 8.909 12.145 -10.134 1.00 53.33 H new ATOM 0 HD21 LEU B 27 6.064 10.972 -10.003 1.00 54.25 H new ATOM 0 HD22 LEU B 27 7.395 10.232 -10.924 1.00 54.25 H new ATOM 0 HD23 LEU B 27 6.520 9.279 -9.701 1.00 54.25 H new ATOM 754 N ARG B 28 11.675 7.991 -9.705 1.00 2.34 N ATOM 755 CA ARG B 28 13.027 7.554 -9.377 1.00 44.15 C ATOM 756 C ARG B 28 13.800 7.187 -10.640 1.00 4.32 C ATOM 757 O ARG B 28 14.838 7.779 -10.938 1.00 40.53 O ATOM 758 CB ARG B 28 12.983 6.357 -8.426 1.00 75.02 C ATOM 759 CG ARG B 28 14.264 6.163 -7.631 1.00 0.31 C ATOM 760 CD ARG B 28 14.011 6.262 -6.134 1.00 35.44 C ATOM 761 NE ARG B 28 15.131 6.880 -5.430 1.00 33.54 N ATOM 762 CZ ARG B 28 16.267 6.247 -5.158 1.00 70.14 C ATOM 763 NH1 ARG B 28 16.432 4.985 -5.530 1.00 22.15 N ATOM 764 NH2 ARG B 28 17.241 6.877 -4.513 1.00 54.12 N ATOM 0 H ARG B 28 11.026 7.233 -9.916 1.00 2.34 H new ATOM 0 HA ARG B 28 13.540 8.380 -8.885 1.00 44.15 H new ATOM 0 HB2 ARG B 28 12.151 6.485 -7.733 1.00 75.02 H new ATOM 0 HB3 ARG B 28 12.782 5.453 -9.002 1.00 75.02 H new ATOM 0 HG2 ARG B 28 14.695 5.189 -7.865 1.00 0.31 H new ATOM 0 HG3 ARG B 28 14.995 6.915 -7.928 1.00 0.31 H new ATOM 0 HD2 ARG B 28 13.106 6.843 -5.957 1.00 35.44 H new ATOM 0 HD3 ARG B 28 13.834 5.265 -5.729 1.00 35.44 H new ATOM 0 HE ARG B 28 15.036 7.850 -5.131 1.00 33.54 H new ATOM 0 HH11 ARG B 28 15.686 4.498 -6.026 1.00 22.15 H new ATOM 0 HH12 ARG B 28 17.305 4.501 -5.320 1.00 22.15 H new ATOM 0 HH21 ARG B 28 17.118 7.848 -4.226 1.00 54.12 H new ATOM 0 HH22 ARG B 28 18.113 6.390 -4.305 1.00 54.12 H new TER 778 ARG B 28