USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 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: A 9 CYS SG : rot 180:sc= -0.507 USER MOD Set 1.2: B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0962 (180deg=-0.615) USER MOD Single : A 6 LYS NZ :NH3+ -141:sc= 0.598 (180deg=0.414) USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= -0.58 (180deg=-3.56!) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0192 (180deg=-0.178) 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 -15:sc= 0.674 USER MOD Single : B 6 THR OG1 : rot 104:sc= 0.209 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 ASN : amide:sc= -0.326 K(o=-0.33,f=-5.8!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= -3.81! USER MOD Single : B 16 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.22) USER MOD Single : B 22 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.6) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.616 1.501 -21.883 1.00 3.00 N ATOM 2 CA VAL A 1 -0.623 2.568 -21.816 1.00 12.15 C ATOM 3 C VAL A 1 -0.704 3.309 -20.486 1.00 62.30 C ATOM 4 O VAL A 1 -1.771 3.770 -20.083 1.00 53.13 O ATOM 5 CB VAL A 1 -0.806 3.576 -22.965 1.00 74.14 C ATOM 6 CG1 VAL A 1 0.309 4.611 -22.949 1.00 54.03 C ATOM 7 CG2 VAL A 1 -0.856 2.854 -24.303 1.00 53.21 C ATOM 0 H1 VAL A 1 -1.364 0.840 -22.645 1.00 3.00 H new ATOM 0 H2 VAL A 1 -1.640 0.992 -20.977 1.00 3.00 H new ATOM 0 H3 VAL A 1 -2.553 1.910 -22.075 1.00 3.00 H new ATOM 0 HA VAL A 1 0.356 2.098 -21.908 1.00 12.15 H new ATOM 0 HB VAL A 1 -1.754 4.096 -22.823 1.00 74.14 H new ATOM 0 HG11 VAL A 1 0.163 5.315 -23.768 1.00 54.03 H new ATOM 0 HG12 VAL A 1 0.293 5.149 -22.001 1.00 54.03 H new ATOM 0 HG13 VAL A 1 1.271 4.112 -23.067 1.00 54.03 H new ATOM 0 HG21 VAL A 1 -0.986 3.581 -25.104 1.00 53.21 H new ATOM 0 HG22 VAL A 1 0.074 2.307 -24.456 1.00 53.21 H new ATOM 0 HG23 VAL A 1 -1.693 2.155 -24.308 1.00 53.21 H new ATOM 17 N ALA A 2 0.434 3.421 -19.808 1.00 61.11 N ATOM 18 CA ALA A 2 0.495 4.109 -18.525 1.00 5.44 C ATOM 19 C ALA A 2 1.214 5.448 -18.653 1.00 25.23 C ATOM 20 O ALA A 2 2.423 5.535 -18.441 1.00 52.15 O ATOM 21 CB ALA A 2 1.184 3.235 -17.488 1.00 34.31 C ATOM 0 H ALA A 2 1.326 3.044 -20.127 1.00 61.11 H new ATOM 0 HA ALA A 2 -0.526 4.304 -18.198 1.00 5.44 H new ATOM 0 HB1 ALA A 2 1.222 3.763 -16.535 1.00 34.31 H new ATOM 0 HB2 ALA A 2 0.627 2.306 -17.367 1.00 34.31 H new ATOM 0 HB3 ALA A 2 2.198 3.009 -17.818 1.00 34.31 H new ATOM 27 N ARG A 3 0.462 6.487 -19.000 1.00 40.23 N ATOM 28 CA ARG A 3 1.030 7.822 -19.158 1.00 33.14 C ATOM 29 C ARG A 3 0.383 8.805 -18.187 1.00 62.43 C ATOM 30 O ARG A 3 0.946 9.857 -17.887 1.00 43.12 O ATOM 31 CB ARG A 3 0.844 8.311 -20.596 1.00 30.11 C ATOM 32 CG ARG A 3 0.906 9.823 -20.737 1.00 11.44 C ATOM 33 CD ARG A 3 0.799 10.251 -22.192 1.00 31.24 C ATOM 34 NE ARG A 3 2.081 10.160 -22.885 1.00 63.12 N ATOM 35 CZ ARG A 3 2.345 10.782 -24.029 1.00 44.14 C ATOM 36 NH1 ARG A 3 1.420 11.538 -24.604 1.00 31.43 N ATOM 37 NH2 ARG A 3 3.536 10.650 -24.598 1.00 44.54 N ATOM 0 H ARG A 3 -0.541 6.431 -19.177 1.00 40.23 H new ATOM 0 HA ARG A 3 2.096 7.766 -18.936 1.00 33.14 H new ATOM 0 HB2 ARG A 3 1.613 7.864 -21.225 1.00 30.11 H new ATOM 0 HB3 ARG A 3 -0.118 7.959 -20.969 1.00 30.11 H new ATOM 0 HG2 ARG A 3 0.098 10.277 -20.163 1.00 11.44 H new ATOM 0 HG3 ARG A 3 1.842 10.191 -20.316 1.00 11.44 H new ATOM 0 HD2 ARG A 3 0.066 9.625 -22.701 1.00 31.24 H new ATOM 0 HD3 ARG A 3 0.432 11.276 -22.242 1.00 31.24 H new ATOM 0 HE ARG A 3 2.815 9.587 -22.468 1.00 63.12 H new ATOM 0 HH11 ARG A 3 0.504 11.643 -24.168 1.00 31.43 H new ATOM 0 HH12 ARG A 3 1.625 12.015 -25.482 1.00 31.43 H new ATOM 0 HH21 ARG A 3 4.250 10.070 -24.157 1.00 44.54 H new ATOM 0 HH22 ARG A 3 3.737 11.128 -25.476 1.00 44.54 H new ATOM 51 N GLY A 4 -0.804 8.455 -17.700 1.00 41.03 N ATOM 52 CA GLY A 4 -1.507 9.318 -16.769 1.00 71.54 C ATOM 53 C GLY A 4 -0.751 9.507 -15.469 1.00 23.24 C ATOM 54 O GLY A 4 -1.005 10.456 -14.728 1.00 63.12 O ATOM 0 H GLY A 4 -1.291 7.590 -17.934 1.00 41.03 H new ATOM 0 HA2 GLY A 4 -1.673 10.290 -17.234 1.00 71.54 H new ATOM 0 HA3 GLY A 4 -2.489 8.895 -16.556 1.00 71.54 H new ATOM 58 N TRP A 5 0.179 8.600 -15.190 1.00 73.14 N ATOM 59 CA TRP A 5 0.973 8.670 -13.969 1.00 41.43 C ATOM 60 C TRP A 5 2.462 8.743 -14.291 1.00 40.24 C ATOM 61 O TRP A 5 3.289 8.957 -13.405 1.00 63.44 O ATOM 62 CB TRP A 5 0.689 7.458 -13.081 1.00 61.52 C ATOM 63 CG TRP A 5 -0.458 7.665 -12.141 1.00 51.41 C ATOM 64 CD1 TRP A 5 -1.785 7.490 -12.416 1.00 64.52 C ATOM 65 CD2 TRP A 5 -0.382 8.089 -10.776 1.00 5.43 C ATOM 66 NE1 TRP A 5 -2.538 7.779 -11.303 1.00 61.30 N ATOM 67 CE2 TRP A 5 -1.701 8.149 -10.284 1.00 23.31 C ATOM 68 CE3 TRP A 5 0.671 8.423 -9.921 1.00 21.42 C ATOM 69 CZ2 TRP A 5 -1.991 8.529 -8.976 1.00 43.11 C ATOM 70 CZ3 TRP A 5 0.382 8.801 -8.623 1.00 22.34 C ATOM 71 CH2 TRP A 5 -0.939 8.850 -8.160 1.00 54.43 C ATOM 0 H TRP A 5 0.401 7.808 -15.793 1.00 73.14 H new ATOM 0 HA TRP A 5 0.692 9.577 -13.434 1.00 41.43 H new ATOM 0 HB2 TRP A 5 0.480 6.595 -13.713 1.00 61.52 H new ATOM 0 HB3 TRP A 5 1.583 7.222 -12.505 1.00 61.52 H new ATOM 0 HD1 TRP A 5 -2.184 7.171 -13.368 1.00 64.52 H new ATOM 0 HE1 TRP A 5 -3.555 7.726 -11.245 1.00 61.30 H new ATOM 0 HE3 TRP A 5 1.693 8.387 -10.268 1.00 21.42 H new ATOM 0 HZ2 TRP A 5 -3.009 8.569 -8.618 1.00 43.11 H new ATOM 0 HZ3 TRP A 5 1.189 9.063 -7.954 1.00 22.34 H new ATOM 0 HH2 TRP A 5 -1.132 9.147 -7.140 1.00 54.43 H new ATOM 82 N LYS A 6 2.796 8.566 -15.565 1.00 61.35 N ATOM 83 CA LYS A 6 4.186 8.613 -16.005 1.00 21.04 C ATOM 84 C LYS A 6 4.522 9.977 -16.601 1.00 23.44 C ATOM 85 O LYS A 6 5.690 10.351 -16.696 1.00 61.25 O ATOM 86 CB LYS A 6 4.454 7.515 -17.036 1.00 34.05 C ATOM 87 CG LYS A 6 4.866 6.189 -16.420 1.00 12.31 C ATOM 88 CD LYS A 6 3.833 5.691 -15.424 1.00 3.44 C ATOM 89 CE LYS A 6 3.812 4.172 -15.353 1.00 13.22 C ATOM 90 NZ LYS A 6 5.172 3.609 -15.132 1.00 34.43 N ATOM 0 H LYS A 6 2.123 8.389 -16.311 1.00 61.35 H new ATOM 0 HA LYS A 6 4.822 8.449 -15.135 1.00 21.04 H new ATOM 0 HB2 LYS A 6 3.556 7.364 -17.635 1.00 34.05 H new ATOM 0 HB3 LYS A 6 5.238 7.850 -17.715 1.00 34.05 H new ATOM 0 HG2 LYS A 6 5.000 5.447 -17.207 1.00 12.31 H new ATOM 0 HG3 LYS A 6 5.828 6.302 -15.921 1.00 12.31 H new ATOM 0 HD2 LYS A 6 4.052 6.099 -14.437 1.00 3.44 H new ATOM 0 HD3 LYS A 6 2.846 6.056 -15.709 1.00 3.44 H new ATOM 0 HE2 LYS A 6 3.152 3.855 -14.545 1.00 13.22 H new ATOM 0 HE3 LYS A 6 3.399 3.771 -16.278 1.00 13.22 H new ATOM 0 HZ1 LYS A 6 5.286 2.744 -15.698 1.00 34.43 H new ATOM 0 HZ2 LYS A 6 5.888 4.307 -15.419 1.00 34.43 H new ATOM 0 HZ3 LYS A 6 5.294 3.382 -14.124 1.00 34.43 H new ATOM 104 N ARG A 7 3.490 10.714 -16.998 1.00 64.31 N ATOM 105 CA ARG A 7 3.677 12.036 -17.583 1.00 51.14 C ATOM 106 C ARG A 7 2.965 13.102 -16.758 1.00 5.55 C ATOM 107 O ARG A 7 3.458 14.219 -16.605 1.00 63.35 O ATOM 108 CB ARG A 7 3.156 12.058 -19.021 1.00 53.34 C ATOM 109 CG ARG A 7 3.123 13.448 -19.636 1.00 55.24 C ATOM 110 CD ARG A 7 1.719 13.831 -20.073 1.00 13.55 C ATOM 111 NE ARG A 7 1.605 13.932 -21.525 1.00 12.14 N ATOM 112 CZ ARG A 7 0.646 14.615 -22.142 1.00 34.12 C ATOM 113 NH1 ARG A 7 -0.276 15.255 -21.435 1.00 74.50 N ATOM 114 NH2 ARG A 7 0.610 14.660 -23.468 1.00 21.34 N ATOM 0 H ARG A 7 2.517 10.418 -16.925 1.00 64.31 H new ATOM 0 HA ARG A 7 4.744 12.256 -17.586 1.00 51.14 H new ATOM 0 HB2 ARG A 7 3.784 11.413 -19.636 1.00 53.34 H new ATOM 0 HB3 ARG A 7 2.151 11.637 -19.041 1.00 53.34 H new ATOM 0 HG2 ARG A 7 3.491 14.176 -18.913 1.00 55.24 H new ATOM 0 HG3 ARG A 7 3.794 13.483 -20.494 1.00 55.24 H new ATOM 0 HD2 ARG A 7 1.010 13.089 -19.705 1.00 13.55 H new ATOM 0 HD3 ARG A 7 1.446 14.785 -19.621 1.00 13.55 H new ATOM 0 HE ARG A 7 2.299 13.452 -22.097 1.00 12.14 H new ATOM 0 HH11 ARG A 7 -0.250 15.224 -20.416 1.00 74.50 H new ATOM 0 HH12 ARG A 7 -1.011 15.779 -21.911 1.00 74.50 H new ATOM 0 HH21 ARG A 7 1.319 14.170 -24.014 1.00 21.34 H new ATOM 0 HH22 ARG A 7 -0.126 15.184 -23.941 1.00 21.34 H new ATOM 128 N LYS A 8 1.799 12.751 -16.224 1.00 32.24 N ATOM 129 CA LYS A 8 1.018 13.675 -15.413 1.00 43.52 C ATOM 130 C LYS A 8 1.406 13.570 -13.941 1.00 62.12 C ATOM 131 O LYS A 8 0.669 13.002 -13.134 1.00 64.05 O ATOM 132 CB LYS A 8 -0.477 13.392 -15.577 1.00 12.51 C ATOM 133 CG LYS A 8 -1.166 14.317 -16.566 1.00 54.04 C ATOM 134 CD LYS A 8 -0.668 14.086 -17.984 1.00 4.40 C ATOM 135 CE LYS A 8 -1.757 13.498 -18.868 1.00 13.32 C ATOM 136 NZ LYS A 8 -1.609 12.024 -19.023 1.00 21.14 N ATOM 0 H LYS A 8 1.375 11.831 -16.340 1.00 32.24 H new ATOM 0 HA LYS A 8 1.231 14.688 -15.756 1.00 43.52 H new ATOM 0 HB2 LYS A 8 -0.609 12.361 -15.904 1.00 12.51 H new ATOM 0 HB3 LYS A 8 -0.964 13.484 -14.606 1.00 12.51 H new ATOM 0 HG2 LYS A 8 -2.243 14.156 -16.527 1.00 54.04 H new ATOM 0 HG3 LYS A 8 -0.988 15.354 -16.281 1.00 54.04 H new ATOM 0 HD2 LYS A 8 -0.323 15.029 -18.408 1.00 4.40 H new ATOM 0 HD3 LYS A 8 0.189 13.413 -17.965 1.00 4.40 H new ATOM 0 HE2 LYS A 8 -2.734 13.722 -18.439 1.00 13.32 H new ATOM 0 HE3 LYS A 8 -1.724 13.972 -19.849 1.00 13.32 H new ATOM 0 HZ1 LYS A 8 -1.483 11.792 -20.029 1.00 21.14 H new ATOM 0 HZ2 LYS A 8 -0.779 11.700 -18.486 1.00 21.14 H new ATOM 0 HZ3 LYS A 8 -2.461 11.550 -18.663 1.00 21.14 H new ATOM 150 N CYS A 9 2.566 14.121 -13.600 1.00 31.31 N ATOM 151 CA CYS A 9 3.052 14.090 -12.225 1.00 74.44 C ATOM 152 C CYS A 9 2.301 15.095 -11.359 1.00 14.05 C ATOM 153 O CYS A 9 1.619 14.736 -10.399 1.00 42.23 O ATOM 154 CB CYS A 9 4.552 14.386 -12.186 1.00 31.24 C ATOM 155 SG CYS A 9 5.566 12.994 -11.632 1.00 5.42 S ATOM 0 H CYS A 9 3.187 14.594 -14.256 1.00 31.31 H new ATOM 0 HA CYS A 9 2.875 13.091 -11.826 1.00 74.44 H new ATOM 0 HB2 CYS A 9 4.878 14.685 -13.182 1.00 31.24 H new ATOM 0 HB3 CYS A 9 4.727 15.235 -11.525 1.00 31.24 H new ATOM 0 HG CYS A 9 6.819 13.341 -11.635 1.00 5.42 H new ATOM 161 N PRO A 10 2.427 16.384 -11.705 1.00 52.43 N ATOM 162 CA PRO A 10 1.767 17.469 -10.971 1.00 41.23 C ATOM 163 C PRO A 10 0.254 17.464 -11.165 1.00 0.01 C ATOM 164 O PRO A 10 -0.469 18.209 -10.504 1.00 10.03 O ATOM 165 CB PRO A 10 2.379 18.733 -11.579 1.00 73.20 C ATOM 166 CG PRO A 10 2.809 18.325 -12.946 1.00 53.35 C ATOM 167 CD PRO A 10 3.223 16.884 -12.839 1.00 44.12 C ATOM 0 HA PRO A 10 1.916 17.382 -9.895 1.00 41.23 H new ATOM 0 HB2 PRO A 10 1.653 19.545 -11.618 1.00 73.20 H new ATOM 0 HB3 PRO A 10 3.223 19.088 -10.988 1.00 73.20 H new ATOM 0 HG2 PRO A 10 1.996 18.445 -13.662 1.00 53.35 H new ATOM 0 HG3 PRO A 10 3.636 18.943 -13.295 1.00 53.35 H new ATOM 0 HD2 PRO A 10 3.007 16.335 -13.755 1.00 44.12 H new ATOM 0 HD3 PRO A 10 4.293 16.786 -12.654 1.00 44.12 H new ATOM 175 N LEU A 11 -0.218 16.619 -12.075 1.00 75.11 N ATOM 176 CA LEU A 11 -1.645 16.516 -12.356 1.00 11.01 C ATOM 177 C LEU A 11 -2.263 15.335 -11.614 1.00 61.15 C ATOM 178 O LEU A 11 -3.045 15.514 -10.681 1.00 41.33 O ATOM 179 CB LEU A 11 -1.880 16.367 -13.860 1.00 64.13 C ATOM 180 CG LEU A 11 -1.433 17.542 -14.729 1.00 63.04 C ATOM 181 CD1 LEU A 11 0.040 17.415 -15.085 1.00 21.54 C ATOM 182 CD2 LEU A 11 -2.282 17.629 -15.989 1.00 21.31 C ATOM 0 H LEU A 11 0.367 15.995 -12.631 1.00 75.11 H new ATOM 0 HA LEU A 11 -2.125 17.431 -12.008 1.00 11.01 H new ATOM 0 HB2 LEU A 11 -1.362 15.471 -14.201 1.00 64.13 H new ATOM 0 HB3 LEU A 11 -2.945 16.202 -14.026 1.00 64.13 H new ATOM 0 HG LEU A 11 -1.570 18.461 -14.159 1.00 63.04 H new ATOM 0 HD11 LEU A 11 0.339 18.261 -15.704 1.00 21.54 H new ATOM 0 HD12 LEU A 11 0.635 17.405 -14.172 1.00 21.54 H new ATOM 0 HD13 LEU A 11 0.203 16.488 -15.635 1.00 21.54 H new ATOM 0 HD21 LEU A 11 -1.949 18.472 -16.595 1.00 21.31 H new ATOM 0 HD22 LEU A 11 -2.179 16.707 -16.562 1.00 21.31 H new ATOM 0 HD23 LEU A 11 -3.327 17.771 -15.714 1.00 21.31 H new ATOM 194 N PHE A 12 -1.903 14.126 -12.033 1.00 53.21 N ATOM 195 CA PHE A 12 -2.421 12.915 -11.408 1.00 32.41 C ATOM 196 C PHE A 12 -1.756 12.674 -10.056 1.00 73.25 C ATOM 197 O PHE A 12 -2.408 12.267 -9.095 1.00 40.02 O ATOM 198 CB PHE A 12 -2.196 11.708 -12.322 1.00 3.43 C ATOM 199 CG PHE A 12 -3.293 11.505 -13.328 1.00 2.22 C ATOM 200 CD1 PHE A 12 -3.740 12.561 -14.107 1.00 32.22 C ATOM 201 CD2 PHE A 12 -3.878 10.260 -13.494 1.00 4.13 C ATOM 202 CE1 PHE A 12 -4.748 12.378 -15.035 1.00 12.23 C ATOM 203 CE2 PHE A 12 -4.887 10.071 -14.419 1.00 42.32 C ATOM 204 CZ PHE A 12 -5.323 11.131 -15.189 1.00 54.43 C ATOM 0 H PHE A 12 -1.255 13.959 -12.803 1.00 53.21 H new ATOM 0 HA PHE A 12 -3.491 13.047 -11.249 1.00 32.41 H new ATOM 0 HB2 PHE A 12 -1.250 11.832 -12.848 1.00 3.43 H new ATOM 0 HB3 PHE A 12 -2.105 10.811 -11.710 1.00 3.43 H new ATOM 0 HD1 PHE A 12 -3.296 13.538 -13.987 1.00 32.22 H new ATOM 0 HD2 PHE A 12 -3.542 9.428 -12.894 1.00 4.13 H new ATOM 0 HE1 PHE A 12 -5.085 13.208 -15.638 1.00 12.23 H new ATOM 0 HE2 PHE A 12 -5.334 9.095 -14.540 1.00 42.32 H new ATOM 0 HZ PHE A 12 -6.113 10.986 -15.911 1.00 54.43 H new ATOM 214 N GLY A 13 -0.453 12.928 -9.991 1.00 44.34 N ATOM 215 CA GLY A 13 0.280 12.734 -8.754 1.00 25.24 C ATOM 216 C GLY A 13 -0.183 13.667 -7.652 1.00 33.24 C ATOM 217 O GLY A 13 -1.287 13.520 -7.126 1.00 60.42 O ATOM 0 H GLY A 13 0.108 13.265 -10.773 1.00 44.34 H new ATOM 0 HA2 GLY A 13 0.163 11.702 -8.424 1.00 25.24 H new ATOM 0 HA3 GLY A 13 1.343 12.892 -8.937 1.00 25.24 H new ATOM 221 N LYS A 14 0.662 14.629 -7.299 1.00 35.42 N ATOM 222 CA LYS A 14 0.335 15.590 -6.253 1.00 1.42 C ATOM 223 C LYS A 14 -0.895 16.409 -6.631 1.00 75.41 C ATOM 224 O LYS A 14 -1.525 17.032 -5.777 1.00 73.24 O ATOM 225 CB LYS A 14 1.522 16.522 -5.998 1.00 60.35 C ATOM 226 CG LYS A 14 1.999 17.253 -7.241 1.00 13.42 C ATOM 227 CD LYS A 14 1.215 18.535 -7.468 1.00 54.20 C ATOM 228 CE LYS A 14 2.062 19.592 -8.160 1.00 35.55 C ATOM 229 NZ LYS A 14 3.106 20.145 -7.255 1.00 63.44 N ATOM 0 H LYS A 14 1.580 14.764 -7.723 1.00 35.42 H new ATOM 0 HA LYS A 14 0.114 15.035 -5.341 1.00 1.42 H new ATOM 0 HB2 LYS A 14 1.242 17.254 -5.241 1.00 60.35 H new ATOM 0 HB3 LYS A 14 2.348 15.941 -5.589 1.00 60.35 H new ATOM 0 HG2 LYS A 14 3.059 17.486 -7.143 1.00 13.42 H new ATOM 0 HG3 LYS A 14 1.895 16.603 -8.109 1.00 13.42 H new ATOM 0 HD2 LYS A 14 0.333 18.321 -8.072 1.00 54.20 H new ATOM 0 HD3 LYS A 14 0.861 18.920 -6.512 1.00 54.20 H new ATOM 0 HE2 LYS A 14 2.537 19.158 -9.040 1.00 35.55 H new ATOM 0 HE3 LYS A 14 1.420 20.400 -8.510 1.00 35.55 H new ATOM 0 HZ1 LYS A 14 3.441 21.056 -7.628 1.00 63.44 H new ATOM 0 HZ2 LYS A 14 2.704 20.286 -6.306 1.00 63.44 H new ATOM 0 HZ3 LYS A 14 3.903 19.480 -7.198 1.00 63.44 H new ATOM 243 N GLY A 15 -1.233 16.401 -7.917 1.00 33.13 N ATOM 244 CA GLY A 15 -2.388 17.145 -8.385 1.00 40.02 C ATOM 245 C GLY A 15 -3.692 16.423 -8.113 1.00 20.35 C ATOM 246 O GLY A 15 -4.747 17.048 -8.012 1.00 64.40 O ATOM 0 H GLY A 15 -0.728 15.893 -8.643 1.00 33.13 H new ATOM 0 HA2 GLY A 15 -2.409 18.121 -7.900 1.00 40.02 H new ATOM 0 HA3 GLY A 15 -2.292 17.323 -9.456 1.00 40.02 H new ATOM 250 N GLY A 16 -3.622 15.100 -7.997 1.00 21.34 N ATOM 251 CA GLY A 16 -4.814 14.314 -7.738 1.00 30.33 C ATOM 252 C GLY A 16 -5.483 14.688 -6.430 1.00 21.43 C ATOM 253 O GLY A 16 -6.709 14.733 -6.343 1.00 31.04 O ATOM 0 H GLY A 16 -2.761 14.559 -8.078 1.00 21.34 H new ATOM 0 HA2 GLY A 16 -5.521 14.451 -8.556 1.00 30.33 H new ATOM 0 HA3 GLY A 16 -4.551 13.256 -7.718 1.00 30.33 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -9.901 11.319 -12.798 1.00 10.10 N ATOM 259 CA LYS B 1 -8.672 11.429 -13.574 1.00 60.33 C ATOM 260 C LYS B 1 -8.025 10.060 -13.766 1.00 4.30 C ATOM 261 O LYS B 1 -7.769 9.637 -14.892 1.00 52.50 O ATOM 262 CB LYS B 1 -7.690 12.376 -12.879 1.00 60.32 C ATOM 263 CG LYS B 1 -8.001 13.846 -13.103 1.00 32.20 C ATOM 264 CD LYS B 1 -7.029 14.478 -14.085 1.00 70.21 C ATOM 265 CE LYS B 1 -7.259 15.976 -14.210 1.00 71.15 C ATOM 266 NZ LYS B 1 -7.619 16.369 -15.601 1.00 23.51 N ATOM 0 H1 LYS B 1 -10.323 12.262 -12.680 1.00 10.10 H new ATOM 0 H2 LYS B 1 -10.572 10.699 -13.296 1.00 10.10 H new ATOM 0 H3 LYS B 1 -9.687 10.917 -11.863 1.00 10.10 H new ATOM 0 HA LYS B 1 -8.925 11.832 -14.555 1.00 60.33 H new ATOM 0 HB2 LYS B 1 -7.696 12.171 -11.808 1.00 60.32 H new ATOM 0 HB3 LYS B 1 -6.682 12.168 -13.237 1.00 60.32 H new ATOM 0 HG2 LYS B 1 -9.019 13.950 -13.479 1.00 32.20 H new ATOM 0 HG3 LYS B 1 -7.956 14.377 -12.152 1.00 32.20 H new ATOM 0 HD2 LYS B 1 -6.006 14.292 -13.757 1.00 70.21 H new ATOM 0 HD3 LYS B 1 -7.141 14.009 -15.062 1.00 70.21 H new ATOM 0 HE2 LYS B 1 -8.055 16.279 -13.530 1.00 71.15 H new ATOM 0 HE3 LYS B 1 -6.358 16.508 -13.904 1.00 71.15 H new ATOM 0 HZ1 LYS B 1 -7.767 17.397 -15.644 1.00 23.51 H new ATOM 0 HZ2 LYS B 1 -6.849 16.103 -16.247 1.00 23.51 H new ATOM 0 HZ3 LYS B 1 -8.493 15.881 -15.885 1.00 23.51 H new ATOM 280 N TYR B 2 -7.766 9.374 -12.658 1.00 33.22 N ATOM 281 CA TYR B 2 -7.149 8.054 -12.705 1.00 11.35 C ATOM 282 C TYR B 2 -8.177 6.962 -12.423 1.00 11.42 C ATOM 283 O TYR B 2 -8.273 6.459 -11.305 1.00 24.23 O ATOM 284 CB TYR B 2 -6.005 7.966 -11.693 1.00 11.40 C ATOM 285 CG TYR B 2 -6.295 8.674 -10.389 1.00 44.52 C ATOM 286 CD1 TYR B 2 -6.847 7.992 -9.312 1.00 55.42 C ATOM 287 CD2 TYR B 2 -6.017 10.027 -10.234 1.00 43.14 C ATOM 288 CE1 TYR B 2 -7.115 8.635 -8.120 1.00 63.21 C ATOM 289 CE2 TYR B 2 -6.279 10.679 -9.044 1.00 34.44 C ATOM 290 CZ TYR B 2 -6.828 9.978 -7.990 1.00 42.14 C ATOM 291 OH TYR B 2 -7.091 10.624 -6.804 1.00 13.34 O ATOM 0 H TYR B 2 -7.974 9.710 -11.718 1.00 33.22 H new ATOM 0 HA TYR B 2 -6.750 7.903 -13.708 1.00 11.35 H new ATOM 0 HB2 TYR B 2 -5.792 6.917 -11.488 1.00 11.40 H new ATOM 0 HB3 TYR B 2 -5.105 8.393 -12.136 1.00 11.40 H new ATOM 0 HD1 TYR B 2 -7.071 6.940 -9.409 1.00 55.42 H new ATOM 0 HD2 TYR B 2 -5.589 10.578 -11.058 1.00 43.14 H new ATOM 0 HE1 TYR B 2 -7.547 8.090 -7.294 1.00 63.21 H new ATOM 0 HE2 TYR B 2 -6.055 11.730 -8.940 1.00 34.44 H new ATOM 0 HH TYR B 2 -6.829 11.565 -6.879 1.00 13.34 H new ATOM 301 N GLU B 3 -8.943 6.601 -13.448 1.00 60.40 N ATOM 302 CA GLU B 3 -9.964 5.569 -13.311 1.00 71.40 C ATOM 303 C GLU B 3 -9.706 4.416 -14.278 1.00 53.35 C ATOM 304 O GLU B 3 -10.439 3.427 -14.291 1.00 72.41 O ATOM 305 CB GLU B 3 -11.353 6.158 -13.562 1.00 4.54 C ATOM 306 CG GLU B 3 -11.660 7.376 -12.707 1.00 3.41 C ATOM 307 CD GLU B 3 -12.935 7.216 -11.900 1.00 51.42 C ATOM 308 OE1 GLU B 3 -12.869 7.332 -10.659 1.00 63.13 O ATOM 309 OE2 GLU B 3 -13.998 6.976 -12.511 1.00 62.40 O ATOM 0 H GLU B 3 -8.876 7.007 -14.381 1.00 60.40 H new ATOM 0 HA GLU B 3 -9.919 5.183 -12.293 1.00 71.40 H new ATOM 0 HB2 GLU B 3 -11.438 6.432 -14.614 1.00 4.54 H new ATOM 0 HB3 GLU B 3 -12.104 5.391 -13.371 1.00 4.54 H new ATOM 0 HG2 GLU B 3 -10.826 7.559 -12.029 1.00 3.41 H new ATOM 0 HG3 GLU B 3 -11.748 8.253 -13.349 1.00 3.41 H new ATOM 316 N ILE B 4 -8.661 4.554 -15.088 1.00 40.51 N ATOM 317 CA ILE B 4 -8.307 3.526 -16.058 1.00 62.32 C ATOM 318 C ILE B 4 -6.895 3.002 -15.813 1.00 12.44 C ATOM 319 O ILE B 4 -6.603 1.832 -16.064 1.00 53.43 O ATOM 320 CB ILE B 4 -8.402 4.056 -17.501 1.00 14.32 C ATOM 321 CG1 ILE B 4 -9.783 4.665 -17.753 1.00 51.35 C ATOM 322 CG2 ILE B 4 -8.121 2.940 -18.495 1.00 60.40 C ATOM 323 CD1 ILE B 4 -9.817 6.170 -17.595 1.00 51.32 C ATOM 0 H ILE B 4 -8.046 5.367 -15.091 1.00 40.51 H new ATOM 0 HA ILE B 4 -9.022 2.713 -15.931 1.00 62.32 H new ATOM 0 HB ILE B 4 -7.651 4.834 -17.637 1.00 14.32 H new ATOM 0 HG12 ILE B 4 -10.107 4.406 -18.761 1.00 51.35 H new ATOM 0 HG13 ILE B 4 -10.499 4.219 -17.063 1.00 51.35 H new ATOM 0 HG21 ILE B 4 -8.192 3.331 -19.510 1.00 60.40 H new ATOM 0 HG22 ILE B 4 -7.118 2.547 -18.327 1.00 60.40 H new ATOM 0 HG23 ILE B 4 -8.851 2.142 -18.362 1.00 60.40 H new ATOM 0 HD11 ILE B 4 -10.826 6.533 -17.788 1.00 51.32 H new ATOM 0 HD12 ILE B 4 -9.524 6.436 -16.579 1.00 51.32 H new ATOM 0 HD13 ILE B 4 -9.125 6.626 -18.303 1.00 51.32 H new ATOM 335 N THR B 5 -6.024 3.875 -15.320 1.00 4.14 N ATOM 336 CA THR B 5 -4.643 3.501 -15.039 1.00 12.12 C ATOM 337 C THR B 5 -4.458 3.146 -13.568 1.00 20.32 C ATOM 338 O THR B 5 -3.348 2.846 -13.126 1.00 21.41 O ATOM 339 CB THR B 5 -3.668 4.634 -15.409 1.00 12.02 C ATOM 340 OG1 THR B 5 -2.328 4.258 -15.071 1.00 11.21 O ATOM 341 CG2 THR B 5 -4.035 5.921 -14.687 1.00 3.41 C ATOM 0 H THR B 5 -6.250 4.847 -15.107 1.00 4.14 H new ATOM 0 HA THR B 5 -4.421 2.627 -15.651 1.00 12.12 H new ATOM 0 HB THR B 5 -3.737 4.806 -16.483 1.00 12.02 H new ATOM 0 HG1 THR B 5 -2.347 3.480 -14.476 1.00 11.21 H new ATOM 0 HG21 THR B 5 -3.332 6.707 -14.964 1.00 3.41 H new ATOM 0 HG22 THR B 5 -5.044 6.221 -14.969 1.00 3.41 H new ATOM 0 HG23 THR B 5 -3.992 5.759 -13.610 1.00 3.41 H new ATOM 349 N THR B 6 -5.551 3.181 -12.813 1.00 43.14 N ATOM 350 CA THR B 6 -5.508 2.864 -11.391 1.00 41.42 C ATOM 351 C THR B 6 -6.365 1.645 -11.073 1.00 15.42 C ATOM 352 O THR B 6 -6.062 0.883 -10.155 1.00 14.34 O ATOM 353 CB THR B 6 -5.989 4.052 -10.536 1.00 30.11 C ATOM 354 OG1 THR B 6 -5.249 4.105 -9.311 1.00 63.33 O ATOM 355 CG2 THR B 6 -7.474 3.933 -10.231 1.00 2.21 C ATOM 0 H THR B 6 -6.477 3.426 -13.163 1.00 43.14 H new ATOM 0 HA THR B 6 -4.468 2.647 -11.147 1.00 41.42 H new ATOM 0 HB THR B 6 -5.822 4.969 -11.101 1.00 30.11 H new ATOM 0 HG1 THR B 6 -4.589 4.828 -9.359 1.00 63.33 H new ATOM 0 HG21 THR B 6 -7.790 4.783 -9.626 1.00 2.21 H new ATOM 0 HG22 THR B 6 -8.037 3.922 -11.164 1.00 2.21 H new ATOM 0 HG23 THR B 6 -7.660 3.009 -9.684 1.00 2.21 H new ATOM 363 N ILE B 7 -7.437 1.465 -11.840 1.00 23.14 N ATOM 364 CA ILE B 7 -8.336 0.336 -11.640 1.00 12.40 C ATOM 365 C ILE B 7 -7.583 -0.987 -11.710 1.00 72.53 C ATOM 366 O ILE B 7 -7.910 -1.940 -11.001 1.00 44.14 O ATOM 367 CB ILE B 7 -9.466 0.325 -12.687 1.00 12.42 C ATOM 368 CG1 ILE B 7 -8.906 0.628 -14.078 1.00 20.20 C ATOM 369 CG2 ILE B 7 -10.544 1.333 -12.314 1.00 24.13 C ATOM 370 CD1 ILE B 7 -9.700 -0.005 -15.200 1.00 24.33 C ATOM 0 H ILE B 7 -7.703 2.086 -12.604 1.00 23.14 H new ATOM 0 HA ILE B 7 -8.771 0.452 -10.647 1.00 12.40 H new ATOM 0 HB ILE B 7 -9.914 -0.668 -12.705 1.00 12.42 H new ATOM 0 HG12 ILE B 7 -8.883 1.708 -14.224 1.00 20.20 H new ATOM 0 HG13 ILE B 7 -7.875 0.277 -14.130 1.00 20.20 H new ATOM 0 HG21 ILE B 7 -11.335 1.313 -13.063 1.00 24.13 H new ATOM 0 HG22 ILE B 7 -10.960 1.077 -11.340 1.00 24.13 H new ATOM 0 HG23 ILE B 7 -10.109 2.332 -12.271 1.00 24.13 H new ATOM 0 HD11 ILE B 7 -9.246 0.252 -16.157 1.00 24.33 H new ATOM 0 HD12 ILE B 7 -9.702 -1.088 -15.078 1.00 24.33 H new ATOM 0 HD13 ILE B 7 -10.725 0.365 -15.174 1.00 24.33 H new ATOM 382 N HIS B 8 -6.568 -1.040 -12.568 1.00 54.41 N ATOM 383 CA HIS B 8 -5.765 -2.246 -12.730 1.00 21.21 C ATOM 384 C HIS B 8 -4.724 -2.358 -11.620 1.00 45.52 C ATOM 385 O HIS B 8 -4.089 -3.399 -11.453 1.00 44.53 O ATOM 386 CB HIS B 8 -5.075 -2.247 -14.094 1.00 43.02 C ATOM 387 CG HIS B 8 -5.447 -3.416 -14.953 1.00 60.12 C ATOM 388 ND1 HIS B 8 -6.645 -3.501 -15.630 1.00 75.44 N ATOM 389 CD2 HIS B 8 -4.770 -4.552 -15.244 1.00 63.12 C ATOM 390 CE1 HIS B 8 -6.689 -4.639 -16.300 1.00 71.30 C ATOM 391 NE2 HIS B 8 -5.563 -5.295 -16.082 1.00 72.21 N ATOM 0 H HIS B 8 -6.283 -0.261 -13.162 1.00 54.41 H new ATOM 0 HA HIS B 8 -6.431 -3.107 -12.669 1.00 21.21 H new ATOM 0 HB2 HIS B 8 -5.326 -1.326 -14.620 1.00 43.02 H new ATOM 0 HB3 HIS B 8 -3.995 -2.245 -13.946 1.00 43.02 H new ATOM 0 HD2 HIS B 8 -3.789 -4.823 -14.884 1.00 63.12 H new ATOM 0 HE1 HIS B 8 -7.506 -4.976 -16.920 1.00 71.30 H new ATOM 0 HE2 HIS B 8 -5.322 -6.206 -16.473 1.00 72.21 H new ATOM 399 N ASN B 9 -4.554 -1.278 -10.864 1.00 12.40 N ATOM 400 CA ASN B 9 -3.589 -1.254 -9.771 1.00 60.44 C ATOM 401 C ASN B 9 -4.186 -1.860 -8.505 1.00 34.45 C ATOM 402 O ASN B 9 -3.460 -2.254 -7.590 1.00 34.03 O ATOM 403 CB ASN B 9 -3.134 0.180 -9.496 1.00 65.14 C ATOM 404 CG ASN B 9 -3.413 0.613 -8.069 1.00 54.24 C ATOM 405 OD1 ASN B 9 -2.516 0.635 -7.228 1.00 44.15 O ATOM 406 ND2 ASN B 9 -4.665 0.960 -7.792 1.00 24.15 N ATOM 0 H ASN B 9 -5.072 -0.408 -10.988 1.00 12.40 H new ATOM 0 HA ASN B 9 -2.727 -1.852 -10.068 1.00 60.44 H new ATOM 0 HB2 ASN B 9 -2.066 0.264 -9.696 1.00 65.14 H new ATOM 0 HB3 ASN B 9 -3.641 0.857 -10.184 1.00 65.14 H new ATOM 0 HD21 ASN B 9 -4.914 1.260 -6.850 1.00 24.15 H new ATOM 0 HD22 ASN B 9 -5.377 0.926 -8.522 1.00 24.15 H new ATOM 413 N LEU B 10 -5.512 -1.935 -8.459 1.00 64.44 N ATOM 414 CA LEU B 10 -6.207 -2.495 -7.306 1.00 24.12 C ATOM 415 C LEU B 10 -5.862 -3.970 -7.124 1.00 61.34 C ATOM 416 O LEU B 10 -6.092 -4.546 -6.061 1.00 21.21 O ATOM 417 CB LEU B 10 -7.719 -2.331 -7.468 1.00 54.41 C ATOM 418 CG LEU B 10 -8.590 -3.189 -6.550 1.00 44.10 C ATOM 419 CD1 LEU B 10 -8.303 -2.871 -5.091 1.00 65.41 C ATOM 420 CD2 LEU B 10 -10.064 -2.978 -6.862 1.00 40.34 C ATOM 0 H LEU B 10 -6.127 -1.615 -9.207 1.00 64.44 H new ATOM 0 HA LEU B 10 -5.881 -1.952 -6.419 1.00 24.12 H new ATOM 0 HB2 LEU B 10 -7.971 -1.284 -7.300 1.00 54.41 H new ATOM 0 HB3 LEU B 10 -7.980 -2.560 -8.501 1.00 54.41 H new ATOM 0 HG LEU B 10 -8.347 -4.237 -6.727 1.00 44.10 H new ATOM 0 HD11 LEU B 10 -8.932 -3.491 -4.453 1.00 65.41 H new ATOM 0 HD12 LEU B 10 -7.254 -3.074 -4.874 1.00 65.41 H new ATOM 0 HD13 LEU B 10 -8.516 -1.819 -4.899 1.00 65.41 H new ATOM 0 HD21 LEU B 10 -10.668 -3.597 -6.199 1.00 40.34 H new ATOM 0 HD22 LEU B 10 -10.321 -1.929 -6.714 1.00 40.34 H new ATOM 0 HD23 LEU B 10 -10.260 -3.257 -7.897 1.00 40.34 H new ATOM 432 N PHE B 11 -5.304 -4.574 -8.168 1.00 2.11 N ATOM 433 CA PHE B 11 -4.925 -5.981 -8.124 1.00 34.43 C ATOM 434 C PHE B 11 -3.663 -6.179 -7.288 1.00 45.33 C ATOM 435 O PHE B 11 -2.588 -6.454 -7.823 1.00 10.35 O ATOM 436 CB PHE B 11 -4.701 -6.516 -9.539 1.00 75.01 C ATOM 437 CG PHE B 11 -5.816 -7.395 -10.032 1.00 41.45 C ATOM 438 CD1 PHE B 11 -5.547 -8.499 -10.823 1.00 32.40 C ATOM 439 CD2 PHE B 11 -7.132 -7.113 -9.705 1.00 24.34 C ATOM 440 CE1 PHE B 11 -6.571 -9.310 -11.278 1.00 22.53 C ATOM 441 CE2 PHE B 11 -8.160 -7.920 -10.156 1.00 70.43 C ATOM 442 CZ PHE B 11 -7.878 -9.019 -10.944 1.00 11.15 C ATOM 0 H PHE B 11 -5.104 -4.111 -9.055 1.00 2.11 H new ATOM 0 HA PHE B 11 -5.740 -6.536 -7.658 1.00 34.43 H new ATOM 0 HB2 PHE B 11 -4.583 -5.675 -10.222 1.00 75.01 H new ATOM 0 HB3 PHE B 11 -3.768 -7.079 -9.562 1.00 75.01 H new ATOM 0 HD1 PHE B 11 -4.526 -8.730 -11.088 1.00 32.40 H new ATOM 0 HD2 PHE B 11 -7.358 -6.254 -9.091 1.00 24.34 H new ATOM 0 HE1 PHE B 11 -6.348 -10.169 -11.893 1.00 22.53 H new ATOM 0 HE2 PHE B 11 -9.182 -7.691 -9.893 1.00 70.43 H new ATOM 0 HZ PHE B 11 -8.680 -9.650 -11.298 1.00 11.15 H new ATOM 452 N ARG B 12 -3.803 -6.035 -5.974 1.00 70.31 N ATOM 453 CA ARG B 12 -2.676 -6.195 -5.065 1.00 64.45 C ATOM 454 C ARG B 12 -2.166 -7.633 -5.077 1.00 34.44 C ATOM 455 O ARG B 12 -0.967 -7.881 -4.954 1.00 72.42 O ATOM 456 CB ARG B 12 -3.078 -5.798 -3.643 1.00 54.11 C ATOM 457 CG ARG B 12 -4.286 -6.556 -3.119 1.00 21.24 C ATOM 458 CD ARG B 12 -3.877 -7.656 -2.151 1.00 21.22 C ATOM 459 NE ARG B 12 -4.258 -7.345 -0.776 1.00 4.32 N ATOM 460 CZ ARG B 12 -4.146 -8.205 0.230 1.00 42.54 C ATOM 461 NH1 ARG B 12 -3.665 -9.422 0.016 1.00 2.51 N ATOM 462 NH2 ARG B 12 -4.513 -7.848 1.454 1.00 11.41 N ATOM 0 H ARG B 12 -4.686 -5.808 -5.516 1.00 70.31 H new ATOM 0 HA ARG B 12 -1.874 -5.540 -5.405 1.00 64.45 H new ATOM 0 HB2 ARG B 12 -2.234 -5.969 -2.975 1.00 54.11 H new ATOM 0 HB3 ARG B 12 -3.292 -4.729 -3.620 1.00 54.11 H new ATOM 0 HG2 ARG B 12 -4.963 -5.863 -2.619 1.00 21.24 H new ATOM 0 HG3 ARG B 12 -4.835 -6.991 -3.955 1.00 21.24 H new ATOM 0 HD2 ARG B 12 -4.341 -8.595 -2.452 1.00 21.22 H new ATOM 0 HD3 ARG B 12 -2.798 -7.803 -2.204 1.00 21.22 H new ATOM 0 HE ARG B 12 -4.631 -6.416 -0.577 1.00 4.32 H new ATOM 0 HH11 ARG B 12 -3.380 -9.700 -0.923 1.00 2.51 H new ATOM 0 HH12 ARG B 12 -3.580 -10.080 0.790 1.00 2.51 H new ATOM 0 HH21 ARG B 12 -4.882 -6.912 1.623 1.00 11.41 H new ATOM 0 HH22 ARG B 12 -4.426 -8.509 2.226 1.00 11.41 H new ATOM 476 N LYS B 13 -3.087 -8.580 -5.226 1.00 21.43 N ATOM 477 CA LYS B 13 -2.734 -9.994 -5.255 1.00 22.54 C ATOM 478 C LYS B 13 -1.755 -10.287 -6.388 1.00 34.32 C ATOM 479 O LYS B 13 -0.891 -11.156 -6.266 1.00 62.24 O ATOM 480 CB LYS B 13 -3.991 -10.852 -5.417 1.00 22.22 C ATOM 481 CG LYS B 13 -4.092 -11.980 -4.404 1.00 54.14 C ATOM 482 CD LYS B 13 -5.419 -12.712 -4.518 1.00 4.34 C ATOM 483 CE LYS B 13 -5.219 -14.173 -4.891 1.00 55.53 C ATOM 484 NZ LYS B 13 -6.495 -14.818 -5.308 1.00 51.21 N ATOM 0 H LYS B 13 -4.084 -8.393 -5.329 1.00 21.43 H new ATOM 0 HA LYS B 13 -2.252 -10.242 -4.309 1.00 22.54 H new ATOM 0 HB2 LYS B 13 -4.870 -10.214 -5.327 1.00 22.22 H new ATOM 0 HB3 LYS B 13 -4.005 -11.275 -6.422 1.00 22.22 H new ATOM 0 HG2 LYS B 13 -3.273 -12.683 -4.557 1.00 54.14 H new ATOM 0 HG3 LYS B 13 -3.982 -11.577 -3.397 1.00 54.14 H new ATOM 0 HD2 LYS B 13 -5.954 -12.647 -3.571 1.00 4.34 H new ATOM 0 HD3 LYS B 13 -6.041 -12.225 -5.269 1.00 4.34 H new ATOM 0 HE2 LYS B 13 -4.494 -14.245 -5.701 1.00 55.53 H new ATOM 0 HE3 LYS B 13 -4.801 -14.711 -4.040 1.00 55.53 H new ATOM 0 HZ1 LYS B 13 -6.317 -15.813 -5.554 1.00 51.21 H new ATOM 0 HZ2 LYS B 13 -7.179 -14.772 -4.526 1.00 51.21 H new ATOM 0 HZ3 LYS B 13 -6.881 -14.320 -6.135 1.00 51.21 H new ATOM 498 N LEU B 14 -1.897 -9.557 -7.489 1.00 54.21 N ATOM 499 CA LEU B 14 -1.025 -9.739 -8.644 1.00 40.55 C ATOM 500 C LEU B 14 0.346 -9.118 -8.393 1.00 72.23 C ATOM 501 O LEU B 14 1.343 -9.827 -8.243 1.00 22.14 O ATOM 502 CB LEU B 14 -1.658 -9.114 -9.889 1.00 32.22 C ATOM 503 CG LEU B 14 -0.807 -9.140 -11.159 1.00 52.44 C ATOM 504 CD1 LEU B 14 -0.644 -10.564 -11.665 1.00 25.44 C ATOM 505 CD2 LEU B 14 -1.428 -8.259 -12.234 1.00 63.01 C ATOM 0 H LEU B 14 -2.607 -8.834 -7.606 1.00 54.21 H new ATOM 0 HA LEU B 14 -0.896 -10.809 -8.806 1.00 40.55 H new ATOM 0 HB2 LEU B 14 -2.596 -9.630 -10.093 1.00 32.22 H new ATOM 0 HB3 LEU B 14 -1.907 -8.077 -9.664 1.00 32.22 H new ATOM 0 HG LEU B 14 0.181 -8.747 -10.919 1.00 52.44 H new ATOM 0 HD11 LEU B 14 -0.035 -10.561 -12.569 1.00 25.44 H new ATOM 0 HD12 LEU B 14 -0.155 -11.168 -10.901 1.00 25.44 H new ATOM 0 HD13 LEU B 14 -1.624 -10.985 -11.889 1.00 25.44 H new ATOM 0 HD21 LEU B 14 -0.810 -8.289 -13.131 1.00 63.01 H new ATOM 0 HD22 LEU B 14 -2.428 -8.623 -12.470 1.00 63.01 H new ATOM 0 HD23 LEU B 14 -1.492 -7.233 -11.872 1.00 63.01 H new ATOM 517 N THR B 15 0.391 -7.790 -8.347 1.00 11.13 N ATOM 518 CA THR B 15 1.638 -7.075 -8.113 1.00 63.33 C ATOM 519 C THR B 15 1.577 -6.269 -6.821 1.00 2.24 C ATOM 520 O THR B 15 0.731 -5.387 -6.666 1.00 53.20 O ATOM 521 CB THR B 15 1.970 -6.127 -9.280 1.00 11.52 C ATOM 522 OG1 THR B 15 0.786 -5.849 -10.037 1.00 73.01 O ATOM 523 CG2 THR B 15 3.028 -6.735 -10.189 1.00 2.14 C ATOM 0 H THR B 15 -0.423 -7.188 -8.469 1.00 11.13 H new ATOM 0 HA THR B 15 2.422 -7.828 -8.031 1.00 63.33 H new ATOM 0 HB THR B 15 2.362 -5.199 -8.864 1.00 11.52 H new ATOM 0 HG1 THR B 15 1.005 -5.244 -10.776 1.00 73.01 H new ATOM 0 HG21 THR B 15 3.245 -6.047 -11.006 1.00 2.14 H new ATOM 0 HG22 THR B 15 3.938 -6.918 -9.617 1.00 2.14 H new ATOM 0 HG23 THR B 15 2.660 -7.677 -10.597 1.00 2.14 H new ATOM 531 N HIS B 16 2.478 -6.577 -5.892 1.00 15.43 N ATOM 532 CA HIS B 16 2.525 -5.880 -4.613 1.00 4.13 C ATOM 533 C HIS B 16 2.563 -4.369 -4.818 1.00 2.12 C ATOM 534 O HIS B 16 1.563 -3.680 -4.617 1.00 13.33 O ATOM 535 CB HIS B 16 3.747 -6.327 -3.809 1.00 13.14 C ATOM 536 CG HIS B 16 3.455 -7.434 -2.843 1.00 20.43 C ATOM 537 ND1 HIS B 16 2.430 -7.379 -1.922 1.00 62.42 N ATOM 538 CD2 HIS B 16 4.061 -8.631 -2.658 1.00 55.34 C ATOM 539 CE1 HIS B 16 2.419 -8.493 -1.212 1.00 30.20 C ATOM 540 NE2 HIS B 16 3.398 -9.269 -1.639 1.00 53.12 N ATOM 0 H HIS B 16 3.184 -7.304 -6.002 1.00 15.43 H new ATOM 0 HA HIS B 16 1.621 -6.131 -4.058 1.00 4.13 H new ATOM 0 HB2 HIS B 16 4.526 -6.653 -4.498 1.00 13.14 H new ATOM 0 HB3 HIS B 16 4.144 -5.472 -3.261 1.00 13.14 H new ATOM 0 HD2 HIS B 16 4.908 -9.012 -3.209 1.00 55.34 H new ATOM 0 HE1 HIS B 16 1.727 -8.729 -0.417 1.00 30.20 H new ATOM 0 HE2 HIS B 16 3.625 -10.193 -1.271 1.00 53.12 H new ATOM 548 N ARG B 17 3.723 -3.859 -5.218 1.00 32.01 N ATOM 549 CA ARG B 17 3.891 -2.429 -5.449 1.00 21.51 C ATOM 550 C ARG B 17 3.714 -2.093 -6.927 1.00 50.15 C ATOM 551 O ARG B 17 4.633 -2.265 -7.728 1.00 75.53 O ATOM 552 CB ARG B 17 5.272 -1.974 -4.974 1.00 64.01 C ATOM 553 CG ARG B 17 5.367 -1.791 -3.468 1.00 21.31 C ATOM 554 CD ARG B 17 6.703 -2.283 -2.931 1.00 3.41 C ATOM 555 NE ARG B 17 6.691 -2.418 -1.476 1.00 44.53 N ATOM 556 CZ ARG B 17 6.181 -3.465 -0.839 1.00 12.53 C ATOM 557 NH1 ARG B 17 5.642 -4.464 -1.525 1.00 23.35 N ATOM 558 NH2 ARG B 17 6.208 -3.515 0.487 1.00 52.01 N ATOM 0 H ARG B 17 4.561 -4.415 -5.389 1.00 32.01 H new ATOM 0 HA ARG B 17 3.126 -1.901 -4.880 1.00 21.51 H new ATOM 0 HB2 ARG B 17 6.015 -2.706 -5.290 1.00 64.01 H new ATOM 0 HB3 ARG B 17 5.523 -1.033 -5.463 1.00 64.01 H new ATOM 0 HG2 ARG B 17 5.239 -0.737 -3.219 1.00 21.31 H new ATOM 0 HG3 ARG B 17 4.556 -2.334 -2.982 1.00 21.31 H new ATOM 0 HD2 ARG B 17 6.943 -3.246 -3.383 1.00 3.41 H new ATOM 0 HD3 ARG B 17 7.490 -1.588 -3.224 1.00 3.41 H new ATOM 0 HE ARG B 17 7.097 -1.666 -0.919 1.00 44.53 H new ATOM 0 HH11 ARG B 17 5.619 -4.429 -2.544 1.00 23.35 H new ATOM 0 HH12 ARG B 17 5.251 -5.268 -1.033 1.00 23.35 H new ATOM 0 HH21 ARG B 17 6.621 -2.748 1.018 1.00 52.01 H new ATOM 0 HH22 ARG B 17 5.816 -4.320 0.975 1.00 52.01 H new ATOM 572 N LEU B 18 2.527 -1.612 -7.280 1.00 75.22 N ATOM 573 CA LEU B 18 2.228 -1.252 -8.662 1.00 2.20 C ATOM 574 C LEU B 18 1.845 0.221 -8.769 1.00 0.23 C ATOM 575 O LEU B 18 1.757 0.772 -9.867 1.00 41.24 O ATOM 576 CB LEU B 18 1.097 -2.127 -9.205 1.00 45.34 C ATOM 577 CG LEU B 18 0.127 -2.690 -8.166 1.00 13.22 C ATOM 578 CD1 LEU B 18 -0.650 -1.567 -7.497 1.00 25.21 C ATOM 579 CD2 LEU B 18 -0.824 -3.688 -8.811 1.00 54.11 C ATOM 0 H LEU B 18 1.756 -1.462 -6.629 1.00 75.22 H new ATOM 0 HA LEU B 18 3.125 -1.419 -9.258 1.00 2.20 H new ATOM 0 HB2 LEU B 18 0.526 -1.542 -9.926 1.00 45.34 H new ATOM 0 HB3 LEU B 18 1.539 -2.961 -9.750 1.00 45.34 H new ATOM 0 HG LEU B 18 0.705 -3.210 -7.402 1.00 13.22 H new ATOM 0 HD11 LEU B 18 -1.335 -1.987 -6.761 1.00 25.21 H new ATOM 0 HD12 LEU B 18 0.045 -0.889 -7.001 1.00 25.21 H new ATOM 0 HD13 LEU B 18 -1.217 -1.019 -8.249 1.00 25.21 H new ATOM 0 HD21 LEU B 18 -1.507 -4.079 -8.057 1.00 54.11 H new ATOM 0 HD22 LEU B 18 -1.395 -3.192 -9.596 1.00 54.11 H new ATOM 0 HD23 LEU B 18 -0.252 -4.509 -9.243 1.00 54.11 H new ATOM 591 N PHE B 19 1.617 0.853 -7.623 1.00 60.43 N ATOM 592 CA PHE B 19 1.245 2.262 -7.587 1.00 54.22 C ATOM 593 C PHE B 19 2.443 3.134 -7.222 1.00 74.43 C ATOM 594 O PHE B 19 2.469 4.328 -7.518 1.00 44.21 O ATOM 595 CB PHE B 19 0.112 2.487 -6.584 1.00 34.03 C ATOM 596 CG PHE B 19 -0.822 3.597 -6.973 1.00 62.20 C ATOM 597 CD1 PHE B 19 -1.491 3.565 -8.186 1.00 3.33 C ATOM 598 CD2 PHE B 19 -1.030 4.673 -6.125 1.00 52.03 C ATOM 599 CE1 PHE B 19 -2.352 4.585 -8.546 1.00 63.23 C ATOM 600 CE2 PHE B 19 -1.890 5.696 -6.480 1.00 50.13 C ATOM 601 CZ PHE B 19 -2.550 5.652 -7.692 1.00 43.43 C ATOM 0 H PHE B 19 1.683 0.411 -6.706 1.00 60.43 H new ATOM 0 HA PHE B 19 0.902 2.546 -8.582 1.00 54.22 H new ATOM 0 HB2 PHE B 19 -0.458 1.564 -6.479 1.00 34.03 H new ATOM 0 HB3 PHE B 19 0.541 2.710 -5.607 1.00 34.03 H new ATOM 0 HD1 PHE B 19 -1.338 2.734 -8.858 1.00 3.33 H new ATOM 0 HD2 PHE B 19 -0.515 4.713 -5.177 1.00 52.03 H new ATOM 0 HE1 PHE B 19 -2.869 4.547 -9.494 1.00 63.23 H new ATOM 0 HE2 PHE B 19 -2.045 6.529 -5.810 1.00 50.13 H new ATOM 0 HZ PHE B 19 -3.220 6.451 -7.972 1.00 43.43 H new ATOM 611 N ARG B 20 3.434 2.526 -6.576 1.00 12.43 N ATOM 612 CA ARG B 20 4.634 3.245 -6.169 1.00 63.41 C ATOM 613 C ARG B 20 5.841 2.799 -6.990 1.00 25.03 C ATOM 614 O ARG B 20 6.603 3.625 -7.491 1.00 24.10 O ATOM 615 CB ARG B 20 4.907 3.024 -4.680 1.00 11.12 C ATOM 616 CG ARG B 20 3.992 3.825 -3.767 1.00 31.44 C ATOM 617 CD ARG B 20 3.923 3.216 -2.375 1.00 53.22 C ATOM 618 NE ARG B 20 4.176 4.207 -1.332 1.00 21.11 N ATOM 619 CZ ARG B 20 5.380 4.701 -1.065 1.00 42.30 C ATOM 620 NH1 ARG B 20 6.434 4.300 -1.759 1.00 73.41 N ATOM 621 NH2 ARG B 20 5.530 5.600 -0.100 1.00 13.03 N ATOM 0 H ARG B 20 3.428 1.538 -6.324 1.00 12.43 H new ATOM 0 HA ARG B 20 4.468 4.307 -6.347 1.00 63.41 H new ATOM 0 HB2 ARG B 20 4.796 1.964 -4.452 1.00 11.12 H new ATOM 0 HB3 ARG B 20 5.942 3.289 -4.466 1.00 11.12 H new ATOM 0 HG2 ARG B 20 4.352 4.852 -3.699 1.00 31.44 H new ATOM 0 HG3 ARG B 20 2.991 3.866 -4.198 1.00 31.44 H new ATOM 0 HD2 ARG B 20 2.940 2.771 -2.222 1.00 53.22 H new ATOM 0 HD3 ARG B 20 4.653 2.411 -2.295 1.00 53.22 H new ATOM 0 HE ARG B 20 3.385 4.538 -0.779 1.00 21.11 H new ATOM 0 HH11 ARG B 20 6.323 3.610 -2.502 1.00 73.41 H new ATOM 0 HH12 ARG B 20 7.357 4.682 -1.551 1.00 73.41 H new ATOM 0 HH21 ARG B 20 4.721 5.912 0.437 1.00 13.03 H new ATOM 0 HH22 ARG B 20 6.455 5.979 0.105 1.00 13.03 H new ATOM 635 N ARG B 21 6.007 1.487 -7.122 1.00 1.43 N ATOM 636 CA ARG B 21 7.121 0.931 -7.880 1.00 70.02 C ATOM 637 C ARG B 21 6.846 0.998 -9.379 1.00 40.33 C ATOM 638 O ARG B 21 7.739 0.771 -10.195 1.00 23.03 O ATOM 639 CB ARG B 21 7.377 -0.518 -7.462 1.00 35.24 C ATOM 640 CG ARG B 21 8.302 -0.653 -6.263 1.00 0.31 C ATOM 641 CD ARG B 21 8.516 -2.110 -5.886 1.00 72.34 C ATOM 642 NE ARG B 21 9.792 -2.621 -6.381 1.00 61.44 N ATOM 643 CZ ARG B 21 10.957 -2.391 -5.784 1.00 13.11 C ATOM 644 NH1 ARG B 21 11.006 -1.663 -4.677 1.00 75.34 N ATOM 645 NH2 ARG B 21 12.075 -2.890 -6.296 1.00 71.02 N ATOM 0 H ARG B 21 5.384 0.790 -6.714 1.00 1.43 H new ATOM 0 HA ARG B 21 8.008 1.527 -7.664 1.00 70.02 H new ATOM 0 HB2 ARG B 21 6.424 -0.994 -7.230 1.00 35.24 H new ATOM 0 HB3 ARG B 21 7.807 -1.059 -8.305 1.00 35.24 H new ATOM 0 HG2 ARG B 21 9.262 -0.190 -6.489 1.00 0.31 H new ATOM 0 HG3 ARG B 21 7.880 -0.115 -5.414 1.00 0.31 H new ATOM 0 HD2 ARG B 21 8.480 -2.213 -4.801 1.00 72.34 H new ATOM 0 HD3 ARG B 21 7.703 -2.712 -6.290 1.00 72.34 H new ATOM 0 HE ARG B 21 9.789 -3.185 -7.231 1.00 61.44 H new ATOM 0 HH11 ARG B 21 10.148 -1.278 -4.281 1.00 75.34 H new ATOM 0 HH12 ARG B 21 11.901 -1.488 -4.221 1.00 75.34 H new ATOM 0 HH21 ARG B 21 12.040 -3.450 -7.148 1.00 71.02 H new ATOM 0 HH22 ARG B 21 12.969 -2.713 -5.838 1.00 71.02 H new ATOM 659 N ASN B 22 5.604 1.311 -9.735 1.00 44.41 N ATOM 660 CA ASN B 22 5.211 1.408 -11.135 1.00 51.04 C ATOM 661 C ASN B 22 4.694 2.806 -11.460 1.00 12.24 C ATOM 662 O ASN B 22 5.222 3.487 -12.340 1.00 33.04 O ATOM 663 CB ASN B 22 4.138 0.367 -11.458 1.00 32.02 C ATOM 664 CG ASN B 22 4.489 -0.468 -12.674 1.00 70.33 C ATOM 665 OD1 ASN B 22 5.647 -0.833 -12.876 1.00 75.33 O ATOM 666 ND2 ASN B 22 3.488 -0.774 -13.492 1.00 4.20 N ATOM 0 H ASN B 22 4.853 1.502 -9.072 1.00 44.41 H new ATOM 0 HA ASN B 22 6.091 1.215 -11.748 1.00 51.04 H new ATOM 0 HB2 ASN B 22 4.001 -0.288 -10.598 1.00 32.02 H new ATOM 0 HB3 ASN B 22 3.187 0.871 -11.629 1.00 32.02 H new ATOM 0 HD21 ASN B 22 3.664 -1.333 -14.327 1.00 4.20 H new ATOM 0 HD22 ASN B 22 2.543 -0.450 -13.285 1.00 4.20 H new ATOM 673 N PHE B 23 3.657 3.228 -10.744 1.00 41.52 N ATOM 674 CA PHE B 23 3.067 4.545 -10.956 1.00 34.52 C ATOM 675 C PHE B 23 3.690 5.577 -10.020 1.00 75.34 C ATOM 676 O PHE B 23 3.202 6.700 -9.905 1.00 63.53 O ATOM 677 CB PHE B 23 1.554 4.490 -10.736 1.00 75.01 C ATOM 678 CG PHE B 23 0.829 3.664 -11.760 1.00 62.22 C ATOM 679 CD1 PHE B 23 0.866 4.010 -13.102 1.00 3.34 C ATOM 680 CD2 PHE B 23 0.110 2.541 -11.381 1.00 75.55 C ATOM 681 CE1 PHE B 23 0.200 3.252 -14.046 1.00 73.42 C ATOM 682 CE2 PHE B 23 -0.557 1.779 -12.321 1.00 72.24 C ATOM 683 CZ PHE B 23 -0.512 2.134 -13.656 1.00 43.50 C ATOM 0 H PHE B 23 3.208 2.677 -10.012 1.00 41.52 H new ATOM 0 HA PHE B 23 3.268 4.844 -11.985 1.00 34.52 H new ATOM 0 HB2 PHE B 23 1.354 4.083 -9.745 1.00 75.01 H new ATOM 0 HB3 PHE B 23 1.156 5.504 -10.751 1.00 75.01 H new ATOM 0 HD1 PHE B 23 1.422 4.882 -13.413 1.00 3.34 H new ATOM 0 HD2 PHE B 23 0.071 2.259 -10.339 1.00 75.55 H new ATOM 0 HE1 PHE B 23 0.236 3.533 -15.088 1.00 73.42 H new ATOM 0 HE2 PHE B 23 -1.113 0.906 -12.013 1.00 72.24 H new ATOM 0 HZ PHE B 23 -1.032 1.539 -14.392 1.00 43.50 H new ATOM 693 N GLY B 24 4.773 5.187 -9.356 1.00 24.14 N ATOM 694 CA GLY B 24 5.446 6.088 -8.439 1.00 24.10 C ATOM 695 C GLY B 24 6.888 6.344 -8.831 1.00 63.32 C ATOM 696 O GLY B 24 7.452 7.387 -8.502 1.00 43.31 O ATOM 0 H GLY B 24 5.197 4.263 -9.437 1.00 24.14 H new ATOM 0 HA2 GLY B 24 4.908 7.036 -8.405 1.00 24.10 H new ATOM 0 HA3 GLY B 24 5.415 5.668 -7.434 1.00 24.10 H new ATOM 700 N TYR B 25 7.487 5.389 -9.534 1.00 34.02 N ATOM 701 CA TYR B 25 8.873 5.513 -9.967 1.00 40.54 C ATOM 702 C TYR B 25 9.086 6.810 -10.743 1.00 24.53 C ATOM 703 O TYR B 25 10.189 7.359 -10.767 1.00 73.40 O ATOM 704 CB TYR B 25 9.268 4.317 -10.834 1.00 15.11 C ATOM 705 CG TYR B 25 10.712 3.901 -10.671 1.00 22.35 C ATOM 706 CD1 TYR B 25 11.742 4.683 -11.179 1.00 20.33 C ATOM 707 CD2 TYR B 25 11.046 2.726 -10.009 1.00 64.41 C ATOM 708 CE1 TYR B 25 13.064 4.306 -11.032 1.00 15.52 C ATOM 709 CE2 TYR B 25 12.365 2.342 -9.856 1.00 45.21 C ATOM 710 CZ TYR B 25 13.370 3.136 -10.370 1.00 1.01 C ATOM 711 OH TYR B 25 14.684 2.757 -10.221 1.00 64.40 O ATOM 0 H TYR B 25 7.034 4.520 -9.816 1.00 34.02 H new ATOM 0 HA TYR B 25 9.504 5.533 -9.079 1.00 40.54 H new ATOM 0 HB2 TYR B 25 8.625 3.472 -10.587 1.00 15.11 H new ATOM 0 HB3 TYR B 25 9.085 4.561 -11.880 1.00 15.11 H new ATOM 0 HD1 TYR B 25 11.506 5.601 -11.697 1.00 20.33 H new ATOM 0 HD2 TYR B 25 10.262 2.102 -9.607 1.00 64.41 H new ATOM 0 HE1 TYR B 25 13.853 4.925 -11.434 1.00 15.52 H new ATOM 0 HE2 TYR B 25 12.608 1.426 -9.337 1.00 45.21 H new ATOM 0 HH TYR B 25 14.726 1.910 -9.731 1.00 64.40 H new ATOM 721 N THR B 26 8.023 7.296 -11.376 1.00 12.21 N ATOM 722 CA THR B 26 8.092 8.526 -12.153 1.00 42.23 C ATOM 723 C THR B 26 8.683 9.665 -11.328 1.00 74.41 C ATOM 724 O THR B 26 9.377 10.534 -11.858 1.00 54.12 O ATOM 725 CB THR B 26 6.702 8.947 -12.664 1.00 12.41 C ATOM 726 OG1 THR B 26 6.834 9.961 -13.667 1.00 63.33 O ATOM 727 CG2 THR B 26 5.839 9.463 -11.524 1.00 5.34 C ATOM 0 H THR B 26 7.103 6.855 -11.365 1.00 12.21 H new ATOM 0 HA THR B 26 8.739 8.324 -13.007 1.00 42.23 H new ATOM 0 HB THR B 26 6.218 8.071 -13.096 1.00 12.41 H new ATOM 0 HG1 THR B 26 5.945 10.222 -13.988 1.00 63.33 H new ATOM 0 HG21 THR B 26 4.862 9.754 -11.910 1.00 5.34 H new ATOM 0 HG22 THR B 26 5.715 8.678 -10.778 1.00 5.34 H new ATOM 0 HG23 THR B 26 6.320 10.327 -11.066 1.00 5.34 H new ATOM 735 N LEU B 27 8.405 9.654 -10.030 1.00 3.31 N ATOM 736 CA LEU B 27 8.910 10.686 -9.130 1.00 60.51 C ATOM 737 C LEU B 27 10.266 10.290 -8.555 1.00 44.12 C ATOM 738 O LEU B 27 11.090 11.148 -8.236 1.00 24.12 O ATOM 739 CB LEU B 27 7.914 10.933 -7.995 1.00 55.34 C ATOM 740 CG LEU B 27 6.745 11.864 -8.320 1.00 61.30 C ATOM 741 CD1 LEU B 27 5.594 11.632 -7.353 1.00 14.00 C ATOM 742 CD2 LEU B 27 7.193 13.317 -8.280 1.00 51.23 C ATOM 0 H LEU B 27 7.833 8.942 -9.576 1.00 3.31 H new ATOM 0 HA LEU B 27 9.033 11.605 -9.703 1.00 60.51 H new ATOM 0 HB2 LEU B 27 7.510 9.972 -7.677 1.00 55.34 H new ATOM 0 HB3 LEU B 27 8.457 11.347 -7.145 1.00 55.34 H new ATOM 0 HG LEU B 27 6.397 11.640 -9.328 1.00 61.30 H new ATOM 0 HD11 LEU B 27 4.771 12.303 -7.599 1.00 14.00 H new ATOM 0 HD12 LEU B 27 5.256 10.599 -7.431 1.00 14.00 H new ATOM 0 HD13 LEU B 27 5.929 11.828 -6.335 1.00 14.00 H new ATOM 0 HD21 LEU B 27 6.348 13.965 -8.514 1.00 51.23 H new ATOM 0 HD22 LEU B 27 7.568 13.555 -7.285 1.00 51.23 H new ATOM 0 HD23 LEU B 27 7.984 13.474 -9.013 1.00 51.23 H new ATOM 754 N ARG B 28 10.492 8.987 -8.427 1.00 10.55 N ATOM 755 CA ARG B 28 11.748 8.478 -7.891 1.00 3.40 C ATOM 756 C ARG B 28 12.638 7.940 -9.008 1.00 11.12 C ATOM 757 O ARG B 28 13.226 8.707 -9.770 1.00 14.43 O ATOM 758 CB ARG B 28 11.480 7.377 -6.863 1.00 63.14 C ATOM 759 CG ARG B 28 10.984 7.901 -5.525 1.00 53.52 C ATOM 760 CD ARG B 28 12.128 8.104 -4.546 1.00 62.51 C ATOM 761 NE ARG B 28 11.656 8.531 -3.231 1.00 40.30 N ATOM 762 CZ ARG B 28 11.123 7.705 -2.338 1.00 54.12 C ATOM 763 NH1 ARG B 28 10.995 6.415 -2.617 1.00 23.40 N ATOM 764 NH2 ARG B 28 10.716 8.169 -1.164 1.00 21.35 N ATOM 0 H ARG B 28 9.821 8.264 -8.687 1.00 10.55 H new ATOM 0 HA ARG B 28 12.266 9.303 -7.403 1.00 3.40 H new ATOM 0 HB2 ARG B 28 10.742 6.685 -7.269 1.00 63.14 H new ATOM 0 HB3 ARG B 28 12.397 6.809 -6.704 1.00 63.14 H new ATOM 0 HG2 ARG B 28 10.460 8.845 -5.675 1.00 53.52 H new ATOM 0 HG3 ARG B 28 10.263 7.200 -5.103 1.00 53.52 H new ATOM 0 HD2 ARG B 28 12.688 7.174 -4.445 1.00 62.51 H new ATOM 0 HD3 ARG B 28 12.817 8.850 -4.943 1.00 62.51 H new ATOM 0 HE ARG B 28 11.740 9.517 -2.985 1.00 40.30 H new ATOM 0 HH11 ARG B 28 11.306 6.055 -3.519 1.00 23.40 H new ATOM 0 HH12 ARG B 28 10.585 5.783 -1.929 1.00 23.40 H new ATOM 0 HH21 ARG B 28 10.812 9.161 -0.946 1.00 21.35 H new ATOM 0 HH22 ARG B 28 10.307 7.534 -0.479 1.00 21.35 H new TER 778 ARG B 28