USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 308 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 32 CYS SG : rot 26:sc= 0.929 USER MOD Set 1.2: B 35 LYS NZ :NH3+ -110:sc= -0.319! (180deg=-5.09!) USER MOD Single : B 1 ARG N :NH3+ -129:sc= 0.0389 (180deg=-0.207) USER MOD Single : B 3 LYS NZ :NH3+ -113:sc= 0.388 (180deg=-0.773) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -63:sc= 1.14 USER MOD Single : B 10 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 15 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 76:sc= 1.26 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -1:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG B 1 2.479 12.034 1.618 1.00 0.86 N ATOM 2 CA ARG B 1 2.825 11.874 0.177 1.00 0.71 C ATOM 3 C ARG B 1 2.935 13.234 -0.516 1.00 0.66 C ATOM 4 O ARG B 1 3.252 14.230 0.128 1.00 0.73 O ATOM 5 CB ARG B 1 1.745 11.015 -0.493 1.00 0.60 C ATOM 6 CG ARG B 1 1.729 9.568 -0.019 1.00 0.65 C ATOM 7 CD ARG B 1 3.001 8.832 -0.426 1.00 0.72 C ATOM 8 NE ARG B 1 3.029 7.452 0.058 1.00 0.79 N ATOM 9 CZ ARG B 1 2.245 6.488 -0.389 1.00 0.73 C ATOM 10 NH1 ARG B 1 1.390 6.713 -1.351 1.00 0.64 N ATOM 11 NH2 ARG B 1 2.331 5.290 0.122 1.00 0.81 N ATOM 0 H1 ARG B 1 3.147 11.487 2.198 1.00 0.86 H new ATOM 0 H2 ARG B 1 2.536 13.039 1.879 1.00 0.86 H new ATOM 0 H3 ARG B 1 1.513 11.687 1.784 1.00 0.86 H new ATOM 0 HA ARG B 1 3.795 11.385 0.090 1.00 0.71 H new ATOM 0 HB2 ARG B 1 0.769 11.461 -0.302 1.00 0.60 H new ATOM 0 HB3 ARG B 1 1.898 11.032 -1.572 1.00 0.60 H new ATOM 0 HG2 ARG B 1 1.623 9.541 1.065 1.00 0.65 H new ATOM 0 HG3 ARG B 1 0.862 9.057 -0.437 1.00 0.65 H new ATOM 0 HD2 ARG B 1 3.086 8.834 -1.513 1.00 0.72 H new ATOM 0 HD3 ARG B 1 3.867 9.368 -0.037 1.00 0.72 H new ATOM 0 HE ARG B 1 3.699 7.218 0.790 1.00 0.79 H new ATOM 0 HH11 ARG B 1 1.322 7.642 -1.766 1.00 0.64 H new ATOM 0 HH12 ARG B 1 0.790 5.959 -1.687 1.00 0.64 H new ATOM 0 HH21 ARG B 1 3.003 5.100 0.865 1.00 0.81 H new ATOM 0 HH22 ARG B 1 1.726 4.544 -0.222 1.00 0.81 H new ATOM 27 N ARG B 2 2.671 13.277 -1.820 1.00 0.56 N ATOM 28 CA ARG B 2 2.747 14.535 -2.563 1.00 0.53 C ATOM 29 C ARG B 2 1.503 15.392 -2.328 1.00 0.46 C ATOM 30 O ARG B 2 0.376 14.908 -2.430 1.00 0.41 O ATOM 31 CB ARG B 2 2.924 14.277 -4.063 1.00 0.52 C ATOM 32 CG ARG B 2 4.177 13.485 -4.404 1.00 0.63 C ATOM 33 CD ARG B 2 4.519 13.582 -5.884 1.00 0.67 C ATOM 34 NE ARG B 2 3.429 13.127 -6.746 1.00 0.64 N ATOM 35 CZ ARG B 2 3.493 13.115 -8.061 1.00 0.72 C ATOM 36 NH1 ARG B 2 4.577 13.516 -8.673 1.00 0.81 N ATOM 37 NH2 ARG B 2 2.470 12.700 -8.762 1.00 0.79 N ATOM 0 H ARG B 2 2.406 12.467 -2.380 1.00 0.56 H new ATOM 0 HA ARG B 2 3.618 15.078 -2.195 1.00 0.53 H new ATOM 0 HB2 ARG B 2 2.052 13.739 -4.435 1.00 0.52 H new ATOM 0 HB3 ARG B 2 2.956 15.233 -4.586 1.00 0.52 H new ATOM 0 HG2 ARG B 2 5.014 13.855 -3.812 1.00 0.63 H new ATOM 0 HG3 ARG B 2 4.032 12.440 -4.132 1.00 0.63 H new ATOM 0 HD2 ARG B 2 4.763 14.616 -6.129 1.00 0.67 H new ATOM 0 HD3 ARG B 2 5.410 12.987 -6.087 1.00 0.67 H new ATOM 0 HE ARG B 2 2.570 12.800 -6.303 1.00 0.64 H new ATOM 0 HH11 ARG B 2 5.378 13.840 -8.131 1.00 0.81 H new ATOM 0 HH12 ARG B 2 4.621 13.505 -9.692 1.00 0.81 H new ATOM 0 HH21 ARG B 2 1.622 12.386 -8.290 1.00 0.79 H new ATOM 0 HH22 ARG B 2 2.520 12.691 -9.781 1.00 0.79 H new ATOM 51 N LYS B 3 1.720 16.667 -2.018 1.00 0.51 N ATOM 52 CA LYS B 3 0.621 17.602 -1.773 1.00 0.50 C ATOM 53 C LYS B 3 -0.078 17.989 -3.086 1.00 0.44 C ATOM 54 O LYS B 3 0.511 17.885 -4.164 1.00 0.48 O ATOM 55 CB LYS B 3 1.140 18.871 -1.087 1.00 0.62 C ATOM 56 CG LYS B 3 1.899 19.794 -2.027 1.00 0.67 C ATOM 57 CD LYS B 3 2.011 21.199 -1.463 1.00 0.79 C ATOM 58 CE LYS B 3 2.448 22.185 -2.533 1.00 0.86 C ATOM 59 NZ LYS B 3 1.483 22.243 -3.669 1.00 0.88 N ATOM 0 H LYS B 3 2.649 17.079 -1.930 1.00 0.51 H new ATOM 0 HA LYS B 3 -0.098 17.103 -1.123 1.00 0.50 H new ATOM 0 HB2 LYS B 3 0.298 19.414 -0.657 1.00 0.62 H new ATOM 0 HB3 LYS B 3 1.792 18.588 -0.261 1.00 0.62 H new ATOM 0 HG2 LYS B 3 2.897 19.392 -2.205 1.00 0.67 H new ATOM 0 HG3 LYS B 3 1.392 19.828 -2.992 1.00 0.67 H new ATOM 0 HD2 LYS B 3 1.050 21.507 -1.052 1.00 0.79 H new ATOM 0 HD3 LYS B 3 2.727 21.208 -0.641 1.00 0.79 H new ATOM 0 HE2 LYS B 3 2.549 23.177 -2.092 1.00 0.86 H new ATOM 0 HE3 LYS B 3 3.432 21.901 -2.907 1.00 0.86 H new ATOM 0 HZ1 LYS B 3 1.932 21.862 -4.526 1.00 0.88 H new ATOM 0 HZ2 LYS B 3 0.641 21.678 -3.439 1.00 0.88 H new ATOM 0 HZ3 LYS B 3 1.202 23.230 -3.836 1.00 0.88 H new ATOM 73 N PRO B 4 -1.342 18.453 -3.018 1.00 0.42 N ATOM 74 CA PRO B 4 -2.095 18.865 -4.212 1.00 0.40 C ATOM 75 C PRO B 4 -1.446 20.057 -4.933 1.00 0.52 C ATOM 76 O PRO B 4 -1.025 21.032 -4.303 1.00 0.63 O ATOM 77 CB PRO B 4 -3.472 19.255 -3.660 1.00 0.43 C ATOM 78 CG PRO B 4 -3.247 19.534 -2.213 1.00 0.51 C ATOM 79 CD PRO B 4 -2.132 18.624 -1.784 1.00 0.48 C ATOM 0 HA PRO B 4 -2.134 18.070 -4.957 1.00 0.40 H new ATOM 0 HB2 PRO B 4 -3.868 20.131 -4.173 1.00 0.43 H new ATOM 0 HB3 PRO B 4 -4.194 18.450 -3.798 1.00 0.43 H new ATOM 0 HG2 PRO B 4 -2.981 20.579 -2.054 1.00 0.51 H new ATOM 0 HG3 PRO B 4 -4.151 19.344 -1.634 1.00 0.51 H new ATOM 0 HD2 PRO B 4 -1.538 19.065 -0.984 1.00 0.48 H new ATOM 0 HD3 PRO B 4 -2.510 17.671 -1.413 1.00 0.48 H new ATOM 87 N LEU B 5 -1.358 19.967 -6.258 1.00 0.56 N ATOM 88 CA LEU B 5 -0.755 21.028 -7.069 1.00 0.73 C ATOM 89 C LEU B 5 -1.763 22.134 -7.405 1.00 0.77 C ATOM 90 O LEU B 5 -1.953 22.471 -8.574 1.00 0.88 O ATOM 91 CB LEU B 5 -0.160 20.453 -8.365 1.00 0.85 C ATOM 92 CG LEU B 5 1.142 19.652 -8.213 1.00 0.92 C ATOM 93 CD1 LEU B 5 2.166 20.436 -7.406 1.00 0.99 C ATOM 94 CD2 LEU B 5 0.883 18.290 -7.582 1.00 0.85 C ATOM 0 H LEU B 5 -1.697 19.169 -6.796 1.00 0.56 H new ATOM 0 HA LEU B 5 0.044 21.470 -6.473 1.00 0.73 H new ATOM 0 HB2 LEU B 5 -0.907 19.809 -8.829 1.00 0.85 H new ATOM 0 HB3 LEU B 5 0.023 21.278 -9.054 1.00 0.85 H new ATOM 0 HG LEU B 5 1.548 19.484 -9.210 1.00 0.92 H new ATOM 0 HD11 LEU B 5 3.080 19.850 -7.311 1.00 0.99 H new ATOM 0 HD12 LEU B 5 2.388 21.375 -7.914 1.00 0.99 H new ATOM 0 HD13 LEU B 5 1.765 20.646 -6.415 1.00 0.99 H new ATOM 0 HD21 LEU B 5 1.824 17.748 -7.488 1.00 0.85 H new ATOM 0 HD22 LEU B 5 0.442 18.425 -6.595 1.00 0.85 H new ATOM 0 HD23 LEU B 5 0.198 17.722 -8.211 1.00 0.85 H new ATOM 106 N PHE B 6 -2.400 22.694 -6.371 1.00 0.74 N ATOM 107 CA PHE B 6 -3.391 23.769 -6.543 1.00 0.82 C ATOM 108 C PHE B 6 -4.559 23.323 -7.433 1.00 0.77 C ATOM 109 O PHE B 6 -4.908 23.988 -8.408 1.00 0.87 O ATOM 110 CB PHE B 6 -2.736 25.036 -7.120 1.00 1.02 C ATOM 111 CG PHE B 6 -1.803 25.740 -6.167 1.00 1.13 C ATOM 112 CD1 PHE B 6 -0.707 25.086 -5.624 1.00 1.13 C ATOM 113 CD2 PHE B 6 -2.022 27.065 -5.824 1.00 1.32 C ATOM 114 CE1 PHE B 6 0.148 25.737 -4.756 1.00 1.28 C ATOM 115 CE2 PHE B 6 -1.169 27.722 -4.957 1.00 1.45 C ATOM 116 CZ PHE B 6 -0.083 27.058 -4.422 1.00 1.42 C ATOM 0 H PHE B 6 -2.248 22.421 -5.400 1.00 0.74 H new ATOM 0 HA PHE B 6 -3.789 24.002 -5.555 1.00 0.82 H new ATOM 0 HB2 PHE B 6 -2.183 24.767 -8.020 1.00 1.02 H new ATOM 0 HB3 PHE B 6 -3.520 25.731 -7.423 1.00 1.02 H new ATOM 0 HD1 PHE B 6 -0.520 24.054 -5.883 1.00 1.13 H new ATOM 0 HD2 PHE B 6 -2.869 27.590 -6.239 1.00 1.32 H new ATOM 0 HE1 PHE B 6 0.996 25.214 -4.339 1.00 1.28 H new ATOM 0 HE2 PHE B 6 -1.352 28.754 -4.698 1.00 1.45 H new ATOM 0 HZ PHE B 6 0.584 27.570 -3.744 1.00 1.42 H new ATOM 126 N TYR B 7 -5.154 22.190 -7.085 1.00 0.65 N ATOM 127 CA TYR B 7 -6.273 21.634 -7.839 1.00 0.63 C ATOM 128 C TYR B 7 -7.186 20.824 -6.915 1.00 0.53 C ATOM 129 O TYR B 7 -6.714 20.190 -5.971 1.00 0.48 O ATOM 130 CB TYR B 7 -5.746 20.743 -8.972 1.00 0.67 C ATOM 131 CG TYR B 7 -6.827 20.159 -9.854 1.00 0.71 C ATOM 132 CD1 TYR B 7 -7.760 20.976 -10.481 1.00 0.82 C ATOM 133 CD2 TYR B 7 -6.916 18.787 -10.056 1.00 0.70 C ATOM 134 CE1 TYR B 7 -8.750 20.442 -11.285 1.00 0.90 C ATOM 135 CE2 TYR B 7 -7.902 18.246 -10.858 1.00 0.79 C ATOM 136 CZ TYR B 7 -8.816 19.078 -11.470 1.00 0.88 C ATOM 137 OH TYR B 7 -9.800 18.543 -12.269 1.00 0.99 O ATOM 0 H TYR B 7 -4.878 21.632 -6.277 1.00 0.65 H new ATOM 0 HA TYR B 7 -6.850 22.453 -8.268 1.00 0.63 H new ATOM 0 HB2 TYR B 7 -5.064 21.326 -9.590 1.00 0.67 H new ATOM 0 HB3 TYR B 7 -5.166 19.928 -8.539 1.00 0.67 H new ATOM 0 HD1 TYR B 7 -7.711 22.045 -10.338 1.00 0.82 H new ATOM 0 HD2 TYR B 7 -6.202 18.133 -9.578 1.00 0.70 H new ATOM 0 HE1 TYR B 7 -9.468 21.090 -11.765 1.00 0.90 H new ATOM 0 HE2 TYR B 7 -7.957 17.177 -11.005 1.00 0.79 H new ATOM 0 HH TYR B 7 -9.706 17.568 -12.295 1.00 0.99 H new ATOM 147 N THR B 8 -8.491 20.848 -7.188 1.00 0.55 N ATOM 148 CA THR B 8 -9.470 20.113 -6.375 1.00 0.53 C ATOM 149 C THR B 8 -9.406 18.591 -6.608 1.00 0.47 C ATOM 150 O THR B 8 -10.429 17.918 -6.758 1.00 0.54 O ATOM 151 CB THR B 8 -10.910 20.623 -6.627 1.00 0.66 C ATOM 152 OG1 THR B 8 -11.853 19.833 -5.889 1.00 0.70 O ATOM 153 CG2 THR B 8 -11.260 20.589 -8.110 1.00 0.75 C ATOM 0 H THR B 8 -8.898 21.368 -7.966 1.00 0.55 H new ATOM 0 HA THR B 8 -9.203 20.303 -5.335 1.00 0.53 H new ATOM 0 HB THR B 8 -10.959 21.658 -6.288 1.00 0.66 H new ATOM 0 HG1 THR B 8 -11.825 18.907 -6.208 1.00 0.70 H new ATOM 0 HG21 THR B 8 -12.277 20.953 -8.252 1.00 0.75 H new ATOM 0 HG22 THR B 8 -10.567 21.224 -8.662 1.00 0.75 H new ATOM 0 HG23 THR B 8 -11.186 19.566 -8.478 1.00 0.75 H new ATOM 161 N ILE B 9 -8.192 18.051 -6.616 1.00 0.39 N ATOM 162 CA ILE B 9 -7.982 16.620 -6.804 1.00 0.38 C ATOM 163 C ILE B 9 -8.338 15.854 -5.523 1.00 0.33 C ATOM 164 O ILE B 9 -8.738 14.692 -5.570 1.00 0.40 O ATOM 165 CB ILE B 9 -6.518 16.315 -7.222 1.00 0.40 C ATOM 166 CG1 ILE B 9 -6.331 14.825 -7.522 1.00 0.48 C ATOM 167 CG2 ILE B 9 -5.536 16.770 -6.150 1.00 0.37 C ATOM 168 CD1 ILE B 9 -7.125 14.342 -8.716 1.00 0.64 C ATOM 0 H ILE B 9 -7.333 18.587 -6.494 1.00 0.39 H new ATOM 0 HA ILE B 9 -8.639 16.289 -7.609 1.00 0.38 H new ATOM 0 HB ILE B 9 -6.311 16.876 -8.134 1.00 0.40 H new ATOM 0 HG12 ILE B 9 -5.273 14.628 -7.696 1.00 0.48 H new ATOM 0 HG13 ILE B 9 -6.622 14.247 -6.645 1.00 0.48 H new ATOM 0 HG21 ILE B 9 -4.519 16.544 -6.469 1.00 0.37 H new ATOM 0 HG22 ILE B 9 -5.638 17.844 -5.996 1.00 0.37 H new ATOM 0 HG23 ILE B 9 -5.748 16.248 -5.217 1.00 0.37 H new ATOM 0 HD11 ILE B 9 -6.943 13.278 -8.868 1.00 0.64 H new ATOM 0 HD12 ILE B 9 -8.188 14.506 -8.537 1.00 0.64 H new ATOM 0 HD13 ILE B 9 -6.817 14.893 -9.605 1.00 0.64 H new ATOM 180 N ASN B 10 -8.185 16.531 -4.379 1.00 0.28 N ATOM 181 CA ASN B 10 -8.482 15.955 -3.063 1.00 0.33 C ATOM 182 C ASN B 10 -7.626 14.717 -2.772 1.00 0.33 C ATOM 183 O ASN B 10 -8.084 13.768 -2.132 1.00 0.40 O ATOM 184 CB ASN B 10 -9.974 15.631 -2.939 1.00 0.43 C ATOM 185 CG ASN B 10 -10.825 16.887 -2.920 1.00 0.50 C ATOM 186 OD1 ASN B 10 -10.646 17.755 -2.073 1.00 0.57 O ATOM 187 ND2 ASN B 10 -11.752 16.997 -3.855 1.00 0.56 N ATOM 0 H ASN B 10 -7.852 17.494 -4.340 1.00 0.28 H new ATOM 0 HA ASN B 10 -8.227 16.704 -2.314 1.00 0.33 H new ATOM 0 HB2 ASN B 10 -10.279 14.998 -3.773 1.00 0.43 H new ATOM 0 HB3 ASN B 10 -10.147 15.061 -2.026 1.00 0.43 H new ATOM 0 HD21 ASN B 10 -12.347 17.825 -3.888 1.00 0.56 H new ATOM 0 HD22 ASN B 10 -11.872 16.254 -4.544 1.00 0.56 H new ATOM 194 N LEU B 11 -6.371 14.760 -3.233 1.00 0.30 N ATOM 195 CA LEU B 11 -5.404 13.675 -3.024 1.00 0.35 C ATOM 196 C LEU B 11 -5.928 12.304 -3.480 1.00 0.39 C ATOM 197 O LEU B 11 -5.793 11.314 -2.761 1.00 0.43 O ATOM 198 CB LEU B 11 -4.990 13.614 -1.548 1.00 0.42 C ATOM 199 CG LEU B 11 -4.244 14.842 -1.025 1.00 0.43 C ATOM 200 CD1 LEU B 11 -3.937 14.686 0.456 1.00 0.58 C ATOM 201 CD2 LEU B 11 -2.963 15.060 -1.813 1.00 0.46 C ATOM 0 H LEU B 11 -5.996 15.548 -3.762 1.00 0.30 H new ATOM 0 HA LEU B 11 -4.538 13.904 -3.645 1.00 0.35 H new ATOM 0 HB2 LEU B 11 -5.885 13.469 -0.943 1.00 0.42 H new ATOM 0 HB3 LEU B 11 -4.360 12.737 -1.401 1.00 0.42 H new ATOM 0 HG LEU B 11 -4.882 15.716 -1.155 1.00 0.43 H new ATOM 0 HD11 LEU B 11 -3.406 15.569 0.812 1.00 0.58 H new ATOM 0 HD12 LEU B 11 -4.869 14.574 1.011 1.00 0.58 H new ATOM 0 HD13 LEU B 11 -3.316 13.803 0.608 1.00 0.58 H new ATOM 0 HD21 LEU B 11 -2.444 15.938 -1.428 1.00 0.46 H new ATOM 0 HD22 LEU B 11 -2.320 14.185 -1.712 1.00 0.46 H new ATOM 0 HD23 LEU B 11 -3.204 15.213 -2.865 1.00 0.46 H new ATOM 213 N ILE B 12 -6.508 12.243 -4.677 1.00 0.40 N ATOM 214 CA ILE B 12 -7.026 11.000 -5.214 1.00 0.46 C ATOM 215 C ILE B 12 -5.898 9.999 -5.510 1.00 0.41 C ATOM 216 O ILE B 12 -6.011 8.815 -5.189 1.00 0.42 O ATOM 217 CB ILE B 12 -7.852 11.290 -6.487 1.00 0.54 C ATOM 218 CG1 ILE B 12 -9.285 11.689 -6.116 1.00 0.64 C ATOM 219 CG2 ILE B 12 -7.847 10.109 -7.430 1.00 0.59 C ATOM 220 CD1 ILE B 12 -10.026 10.639 -5.313 1.00 0.71 C ATOM 0 H ILE B 12 -6.628 13.048 -5.291 1.00 0.40 H new ATOM 0 HA ILE B 12 -7.672 10.543 -4.464 1.00 0.46 H new ATOM 0 HB ILE B 12 -7.384 12.125 -7.008 1.00 0.54 H new ATOM 0 HG12 ILE B 12 -9.257 12.617 -5.544 1.00 0.64 H new ATOM 0 HG13 ILE B 12 -9.843 11.894 -7.030 1.00 0.64 H new ATOM 0 HG21 ILE B 12 -8.437 10.347 -8.315 1.00 0.59 H new ATOM 0 HG22 ILE B 12 -6.822 9.885 -7.727 1.00 0.59 H new ATOM 0 HG23 ILE B 12 -8.278 9.242 -6.929 1.00 0.59 H new ATOM 0 HD11 ILE B 12 -11.032 10.995 -5.089 1.00 0.71 H new ATOM 0 HD12 ILE B 12 -10.087 9.716 -5.890 1.00 0.71 H new ATOM 0 HD13 ILE B 12 -9.493 10.450 -4.381 1.00 0.71 H new ATOM 232 N ILE B 13 -4.810 10.484 -6.117 1.00 0.40 N ATOM 233 CA ILE B 13 -3.661 9.636 -6.455 1.00 0.39 C ATOM 234 C ILE B 13 -3.124 8.880 -5.224 1.00 0.36 C ATOM 235 O ILE B 13 -3.174 7.652 -5.189 1.00 0.36 O ATOM 236 CB ILE B 13 -2.531 10.461 -7.111 1.00 0.44 C ATOM 237 CG1 ILE B 13 -3.045 11.151 -8.379 1.00 0.53 C ATOM 238 CG2 ILE B 13 -1.338 9.573 -7.427 1.00 0.47 C ATOM 239 CD1 ILE B 13 -2.031 12.070 -9.028 1.00 0.62 C ATOM 0 H ILE B 13 -4.700 11.462 -6.385 1.00 0.40 H new ATOM 0 HA ILE B 13 -4.014 8.897 -7.174 1.00 0.39 H new ATOM 0 HB ILE B 13 -2.207 11.229 -6.409 1.00 0.44 H new ATOM 0 HG12 ILE B 13 -3.345 10.390 -9.099 1.00 0.53 H new ATOM 0 HG13 ILE B 13 -3.937 11.726 -8.132 1.00 0.53 H new ATOM 0 HG21 ILE B 13 -0.552 10.171 -7.888 1.00 0.47 H new ATOM 0 HG22 ILE B 13 -0.962 9.128 -6.506 1.00 0.47 H new ATOM 0 HG23 ILE B 13 -1.644 8.783 -8.113 1.00 0.47 H new ATOM 0 HD11 ILE B 13 -2.467 12.522 -9.919 1.00 0.62 H new ATOM 0 HD12 ILE B 13 -1.748 12.854 -8.325 1.00 0.62 H new ATOM 0 HD13 ILE B 13 -1.147 11.497 -9.307 1.00 0.62 H new ATOM 251 N PRO B 14 -2.625 9.581 -4.177 1.00 0.35 N ATOM 252 CA PRO B 14 -2.127 8.913 -2.967 1.00 0.37 C ATOM 253 C PRO B 14 -3.188 7.995 -2.348 1.00 0.37 C ATOM 254 O PRO B 14 -2.881 6.889 -1.903 1.00 0.41 O ATOM 255 CB PRO B 14 -1.787 10.069 -2.014 1.00 0.40 C ATOM 256 CG PRO B 14 -2.460 11.270 -2.588 1.00 0.39 C ATOM 257 CD PRO B 14 -2.517 11.044 -4.071 1.00 0.38 C ATOM 0 HA PRO B 14 -1.272 8.271 -3.179 1.00 0.37 H new ATOM 0 HB2 PRO B 14 -2.144 9.864 -1.005 1.00 0.40 H new ATOM 0 HB3 PRO B 14 -0.709 10.218 -1.946 1.00 0.40 H new ATOM 0 HG2 PRO B 14 -3.461 11.392 -2.173 1.00 0.39 H new ATOM 0 HG3 PRO B 14 -1.905 12.178 -2.353 1.00 0.39 H new ATOM 0 HD2 PRO B 14 -3.372 11.546 -4.523 1.00 0.38 H new ATOM 0 HD3 PRO B 14 -1.625 11.420 -4.572 1.00 0.38 H new ATOM 265 N CYS B 15 -4.442 8.460 -2.350 1.00 0.38 N ATOM 266 CA CYS B 15 -5.558 7.682 -1.809 1.00 0.42 C ATOM 267 C CYS B 15 -5.737 6.360 -2.563 1.00 0.42 C ATOM 268 O CYS B 15 -5.813 5.297 -1.945 1.00 0.45 O ATOM 269 CB CYS B 15 -6.857 8.491 -1.870 1.00 0.46 C ATOM 270 SG CYS B 15 -8.315 7.596 -1.286 1.00 0.58 S ATOM 0 H CYS B 15 -4.708 9.372 -2.721 1.00 0.38 H new ATOM 0 HA CYS B 15 -5.324 7.455 -0.769 1.00 0.42 H new ATOM 0 HB2 CYS B 15 -6.737 9.396 -1.274 1.00 0.46 H new ATOM 0 HB3 CYS B 15 -7.027 8.808 -2.899 1.00 0.46 H new ATOM 0 HG CYS B 15 -9.360 8.364 -1.375 1.00 0.58 H new ATOM 276 N VAL B 16 -5.801 6.420 -3.897 1.00 0.40 N ATOM 277 CA VAL B 16 -5.968 5.207 -4.696 1.00 0.41 C ATOM 278 C VAL B 16 -4.753 4.279 -4.556 1.00 0.38 C ATOM 279 O VAL B 16 -4.916 3.067 -4.414 1.00 0.39 O ATOM 280 CB VAL B 16 -6.270 5.506 -6.189 1.00 0.45 C ATOM 281 CG1 VAL B 16 -5.078 6.113 -6.903 1.00 0.44 C ATOM 282 CG2 VAL B 16 -6.736 4.245 -6.904 1.00 0.50 C ATOM 0 H VAL B 16 -5.741 7.283 -4.438 1.00 0.40 H new ATOM 0 HA VAL B 16 -6.843 4.693 -4.297 1.00 0.41 H new ATOM 0 HB VAL B 16 -7.072 6.244 -6.214 1.00 0.45 H new ATOM 0 HG11 VAL B 16 -5.337 6.305 -7.944 1.00 0.44 H new ATOM 0 HG12 VAL B 16 -4.802 7.050 -6.419 1.00 0.44 H new ATOM 0 HG13 VAL B 16 -4.237 5.421 -6.860 1.00 0.44 H new ATOM 0 HG21 VAL B 16 -6.943 4.475 -7.949 1.00 0.50 H new ATOM 0 HG22 VAL B 16 -5.957 3.485 -6.847 1.00 0.50 H new ATOM 0 HG23 VAL B 16 -7.643 3.871 -6.428 1.00 0.50 H new ATOM 292 N LEU B 17 -3.535 4.842 -4.565 1.00 0.37 N ATOM 293 CA LEU B 17 -2.327 4.034 -4.407 1.00 0.38 C ATOM 294 C LEU B 17 -2.342 3.300 -3.065 1.00 0.39 C ATOM 295 O LEU B 17 -2.166 2.084 -3.015 1.00 0.41 O ATOM 296 CB LEU B 17 -1.084 4.915 -4.500 1.00 0.42 C ATOM 297 CG LEU B 17 -1.005 5.783 -5.753 1.00 0.45 C ATOM 298 CD1 LEU B 17 0.268 6.609 -5.743 1.00 0.53 C ATOM 299 CD2 LEU B 17 -1.091 4.925 -7.005 1.00 0.49 C ATOM 0 H LEU B 17 -3.366 5.841 -4.679 1.00 0.37 H new ATOM 0 HA LEU B 17 -2.302 3.297 -5.210 1.00 0.38 H new ATOM 0 HB2 LEU B 17 -1.049 5.563 -3.624 1.00 0.42 H new ATOM 0 HB3 LEU B 17 -0.201 4.278 -4.461 1.00 0.42 H new ATOM 0 HG LEU B 17 -1.854 6.467 -5.758 1.00 0.45 H new ATOM 0 HD11 LEU B 17 0.310 7.223 -6.643 1.00 0.53 H new ATOM 0 HD12 LEU B 17 0.277 7.253 -4.864 1.00 0.53 H new ATOM 0 HD13 LEU B 17 1.132 5.945 -5.716 1.00 0.53 H new ATOM 0 HD21 LEU B 17 -1.033 5.562 -7.887 1.00 0.49 H new ATOM 0 HD22 LEU B 17 -0.265 4.214 -7.016 1.00 0.49 H new ATOM 0 HD23 LEU B 17 -2.037 4.383 -7.010 1.00 0.49 H new ATOM 311 N ILE B 18 -2.582 4.043 -1.981 1.00 0.41 N ATOM 312 CA ILE B 18 -2.646 3.451 -0.644 1.00 0.46 C ATOM 313 C ILE B 18 -3.756 2.399 -0.570 1.00 0.47 C ATOM 314 O ILE B 18 -3.551 1.306 -0.041 1.00 0.50 O ATOM 315 CB ILE B 18 -2.862 4.523 0.442 1.00 0.51 C ATOM 316 CG1 ILE B 18 -1.627 5.422 0.528 1.00 0.54 C ATOM 317 CG2 ILE B 18 -3.151 3.878 1.795 1.00 0.60 C ATOM 318 CD1 ILE B 18 -1.746 6.521 1.555 1.00 0.60 C ATOM 0 H ILE B 18 -2.734 5.051 -2.004 1.00 0.41 H new ATOM 0 HA ILE B 18 -1.687 2.969 -0.457 1.00 0.46 H new ATOM 0 HB ILE B 18 -3.727 5.128 0.171 1.00 0.51 H new ATOM 0 HG12 ILE B 18 -0.758 4.808 0.765 1.00 0.54 H new ATOM 0 HG13 ILE B 18 -1.445 5.869 -0.450 1.00 0.54 H new ATOM 0 HG21 ILE B 18 -3.300 4.655 2.544 1.00 0.60 H new ATOM 0 HG22 ILE B 18 -4.051 3.267 1.722 1.00 0.60 H new ATOM 0 HG23 ILE B 18 -2.309 3.250 2.086 1.00 0.60 H new ATOM 0 HD11 ILE B 18 -0.833 7.116 1.558 1.00 0.60 H new ATOM 0 HD12 ILE B 18 -2.595 7.159 1.308 1.00 0.60 H new ATOM 0 HD13 ILE B 18 -1.897 6.082 2.541 1.00 0.60 H new ATOM 330 N THR B 19 -4.922 2.726 -1.131 1.00 0.45 N ATOM 331 CA THR B 19 -6.055 1.796 -1.151 1.00 0.48 C ATOM 332 C THR B 19 -5.689 0.517 -1.906 1.00 0.45 C ATOM 333 O THR B 19 -5.963 -0.590 -1.440 1.00 0.49 O ATOM 334 CB THR B 19 -7.304 2.429 -1.806 1.00 0.50 C ATOM 335 OG1 THR B 19 -7.658 3.640 -1.127 1.00 0.52 O ATOM 336 CG2 THR B 19 -8.487 1.471 -1.773 1.00 0.58 C ATOM 0 H THR B 19 -5.107 3.625 -1.576 1.00 0.45 H new ATOM 0 HA THR B 19 -6.289 1.558 -0.114 1.00 0.48 H new ATOM 0 HB THR B 19 -7.060 2.648 -2.845 1.00 0.50 H new ATOM 0 HG1 THR B 19 -7.039 4.354 -1.387 1.00 0.52 H new ATOM 0 HG21 THR B 19 -9.351 1.943 -2.241 1.00 0.58 H new ATOM 0 HG22 THR B 19 -8.233 0.561 -2.316 1.00 0.58 H new ATOM 0 HG23 THR B 19 -8.725 1.222 -0.739 1.00 0.58 H new ATOM 344 N SER B 20 -5.045 0.679 -3.065 1.00 0.42 N ATOM 345 CA SER B 20 -4.618 -0.464 -3.876 1.00 0.42 C ATOM 346 C SER B 20 -3.641 -1.342 -3.097 1.00 0.43 C ATOM 347 O SER B 20 -3.821 -2.556 -3.015 1.00 0.45 O ATOM 348 CB SER B 20 -3.969 0.008 -5.181 1.00 0.42 C ATOM 349 OG SER B 20 -3.565 -1.091 -5.983 1.00 0.45 O ATOM 0 H SER B 20 -4.808 1.588 -3.462 1.00 0.42 H new ATOM 0 HA SER B 20 -5.503 -1.052 -4.119 1.00 0.42 H new ATOM 0 HB2 SER B 20 -4.673 0.627 -5.737 1.00 0.42 H new ATOM 0 HB3 SER B 20 -3.105 0.633 -4.955 1.00 0.42 H new ATOM 0 HG SER B 20 -3.156 -0.760 -6.810 1.00 0.45 H new ATOM 355 N LEU B 21 -2.616 -0.719 -2.508 1.00 0.44 N ATOM 356 CA LEU B 21 -1.630 -1.448 -1.715 1.00 0.49 C ATOM 357 C LEU B 21 -2.304 -2.160 -0.544 1.00 0.51 C ATOM 358 O LEU B 21 -2.027 -3.333 -0.275 1.00 0.53 O ATOM 359 CB LEU B 21 -0.560 -0.489 -1.197 1.00 0.54 C ATOM 360 CG LEU B 21 0.102 0.369 -2.271 1.00 0.55 C ATOM 361 CD1 LEU B 21 1.116 1.312 -1.648 1.00 0.63 C ATOM 362 CD2 LEU B 21 0.750 -0.508 -3.329 1.00 0.59 C ATOM 0 H LEU B 21 -2.450 0.286 -2.567 1.00 0.44 H new ATOM 0 HA LEU B 21 -1.159 -2.196 -2.352 1.00 0.49 H new ATOM 0 HB2 LEU B 21 -1.010 0.168 -0.453 1.00 0.54 H new ATOM 0 HB3 LEU B 21 0.211 -1.067 -0.687 1.00 0.54 H new ATOM 0 HG LEU B 21 -0.666 0.972 -2.757 1.00 0.55 H new ATOM 0 HD11 LEU B 21 1.578 1.916 -2.428 1.00 0.63 H new ATOM 0 HD12 LEU B 21 0.615 1.964 -0.933 1.00 0.63 H new ATOM 0 HD13 LEU B 21 1.884 0.733 -1.135 1.00 0.63 H new ATOM 0 HD21 LEU B 21 1.217 0.121 -4.087 1.00 0.59 H new ATOM 0 HD22 LEU B 21 1.507 -1.139 -2.864 1.00 0.59 H new ATOM 0 HD23 LEU B 21 -0.009 -1.136 -3.796 1.00 0.59 H new ATOM 374 N ALA B 22 -3.207 -1.451 0.144 1.00 0.52 N ATOM 375 CA ALA B 22 -3.927 -2.040 1.267 1.00 0.56 C ATOM 376 C ALA B 22 -4.692 -3.275 0.824 1.00 0.55 C ATOM 377 O ALA B 22 -4.457 -4.348 1.339 1.00 0.59 O ATOM 378 CB ALA B 22 -4.873 -1.042 1.915 1.00 0.60 C ATOM 0 H ALA B 22 -3.451 -0.481 -0.058 1.00 0.52 H new ATOM 0 HA ALA B 22 -3.186 -2.330 2.012 1.00 0.56 H new ATOM 0 HB1 ALA B 22 -5.391 -1.519 2.747 1.00 0.60 H new ATOM 0 HB2 ALA B 22 -4.305 -0.188 2.283 1.00 0.60 H new ATOM 0 HB3 ALA B 22 -5.603 -0.703 1.180 1.00 0.60 H new ATOM 384 N ILE B 23 -5.581 -3.125 -0.153 1.00 0.53 N ATOM 385 CA ILE B 23 -6.356 -4.262 -0.671 1.00 0.54 C ATOM 386 C ILE B 23 -5.428 -5.377 -1.169 1.00 0.52 C ATOM 387 O ILE B 23 -5.718 -6.550 -0.982 1.00 0.55 O ATOM 388 CB ILE B 23 -7.313 -3.829 -1.808 1.00 0.56 C ATOM 389 CG1 ILE B 23 -8.215 -2.680 -1.343 1.00 0.60 C ATOM 390 CG2 ILE B 23 -8.160 -5.005 -2.283 1.00 0.60 C ATOM 391 CD1 ILE B 23 -9.081 -3.022 -0.148 1.00 0.69 C ATOM 0 H ILE B 23 -5.787 -2.234 -0.604 1.00 0.53 H new ATOM 0 HA ILE B 23 -6.957 -4.643 0.155 1.00 0.54 H new ATOM 0 HB ILE B 23 -6.707 -3.482 -2.645 1.00 0.56 H new ATOM 0 HG12 ILE B 23 -7.592 -1.821 -1.094 1.00 0.60 H new ATOM 0 HG13 ILE B 23 -8.858 -2.378 -2.170 1.00 0.60 H new ATOM 0 HG21 ILE B 23 -8.824 -4.676 -3.082 1.00 0.60 H new ATOM 0 HG22 ILE B 23 -7.509 -5.796 -2.655 1.00 0.60 H new ATOM 0 HG23 ILE B 23 -8.753 -5.385 -1.452 1.00 0.60 H new ATOM 0 HD11 ILE B 23 -9.689 -2.158 0.120 1.00 0.69 H new ATOM 0 HD12 ILE B 23 -9.731 -3.860 -0.398 1.00 0.69 H new ATOM 0 HD13 ILE B 23 -8.446 -3.294 0.695 1.00 0.69 H new ATOM 403 N LEU B 24 -4.299 -5.011 -1.777 1.00 0.49 N ATOM 404 CA LEU B 24 -3.339 -6.008 -2.256 1.00 0.51 C ATOM 405 C LEU B 24 -2.824 -6.855 -1.081 1.00 0.56 C ATOM 406 O LEU B 24 -2.749 -8.081 -1.169 1.00 0.60 O ATOM 407 CB LEU B 24 -2.167 -5.322 -2.971 1.00 0.53 C ATOM 408 CG LEU B 24 -1.804 -5.893 -4.347 1.00 0.71 C ATOM 409 CD1 LEU B 24 -1.330 -7.333 -4.233 1.00 1.11 C ATOM 410 CD2 LEU B 24 -2.993 -5.794 -5.294 1.00 1.30 C ATOM 0 H LEU B 24 -4.028 -4.043 -1.949 1.00 0.49 H new ATOM 0 HA LEU B 24 -3.843 -6.663 -2.967 1.00 0.51 H new ATOM 0 HB2 LEU B 24 -2.405 -4.265 -3.088 1.00 0.53 H new ATOM 0 HB3 LEU B 24 -1.288 -5.382 -2.329 1.00 0.53 H new ATOM 0 HG LEU B 24 -0.985 -5.301 -4.754 1.00 0.71 H new ATOM 0 HD11 LEU B 24 -1.079 -7.713 -5.223 1.00 1.11 H new ATOM 0 HD12 LEU B 24 -0.448 -7.376 -3.594 1.00 1.11 H new ATOM 0 HD13 LEU B 24 -2.122 -7.944 -3.800 1.00 1.11 H new ATOM 0 HD21 LEU B 24 -2.719 -6.203 -6.266 1.00 1.30 H new ATOM 0 HD22 LEU B 24 -3.831 -6.359 -4.886 1.00 1.30 H new ATOM 0 HD23 LEU B 24 -3.281 -4.749 -5.409 1.00 1.30 H new ATOM 422 N VAL B 25 -2.493 -6.188 0.025 1.00 0.57 N ATOM 423 CA VAL B 25 -2.012 -6.873 1.232 1.00 0.65 C ATOM 424 C VAL B 25 -3.179 -7.496 2.019 1.00 0.67 C ATOM 425 O VAL B 25 -3.127 -8.652 2.436 1.00 0.72 O ATOM 426 CB VAL B 25 -1.256 -5.887 2.153 1.00 0.69 C ATOM 427 CG1 VAL B 25 -0.910 -6.530 3.490 1.00 0.80 C ATOM 428 CG2 VAL B 25 -0.002 -5.370 1.466 1.00 0.71 C ATOM 0 H VAL B 25 -2.548 -5.173 0.113 1.00 0.57 H new ATOM 0 HA VAL B 25 -1.336 -7.665 0.909 1.00 0.65 H new ATOM 0 HB VAL B 25 -1.916 -5.043 2.352 1.00 0.69 H new ATOM 0 HG11 VAL B 25 -0.379 -5.810 4.113 1.00 0.80 H new ATOM 0 HG12 VAL B 25 -1.826 -6.840 3.993 1.00 0.80 H new ATOM 0 HG13 VAL B 25 -0.276 -7.401 3.322 1.00 0.80 H new ATOM 0 HG21 VAL B 25 0.517 -4.678 2.129 1.00 0.71 H new ATOM 0 HG22 VAL B 25 0.655 -6.207 1.230 1.00 0.71 H new ATOM 0 HG23 VAL B 25 -0.277 -4.854 0.546 1.00 0.71 H new ATOM 438 N PHE B 26 -4.215 -6.691 2.212 1.00 0.65 N ATOM 439 CA PHE B 26 -5.426 -7.068 2.946 1.00 0.70 C ATOM 440 C PHE B 26 -6.160 -8.243 2.296 1.00 0.69 C ATOM 441 O PHE B 26 -6.525 -9.206 2.963 1.00 0.76 O ATOM 442 CB PHE B 26 -6.358 -5.848 3.014 1.00 0.71 C ATOM 443 CG PHE B 26 -5.937 -4.799 4.019 1.00 0.76 C ATOM 444 CD1 PHE B 26 -4.604 -4.654 4.383 1.00 0.79 C ATOM 445 CD2 PHE B 26 -6.875 -3.961 4.599 1.00 0.86 C ATOM 446 CE1 PHE B 26 -4.218 -3.699 5.301 1.00 0.85 C ATOM 447 CE2 PHE B 26 -6.494 -3.004 5.521 1.00 0.92 C ATOM 448 CZ PHE B 26 -5.165 -2.873 5.872 1.00 0.89 C ATOM 0 H PHE B 26 -4.242 -5.735 1.857 1.00 0.65 H new ATOM 0 HA PHE B 26 -5.132 -7.389 3.945 1.00 0.70 H new ATOM 0 HB2 PHE B 26 -6.409 -5.389 2.027 1.00 0.71 H new ATOM 0 HB3 PHE B 26 -7.364 -6.187 3.260 1.00 0.71 H new ATOM 0 HD1 PHE B 26 -3.859 -5.299 3.941 1.00 0.79 H new ATOM 0 HD2 PHE B 26 -7.916 -4.056 4.328 1.00 0.86 H new ATOM 0 HE1 PHE B 26 -3.177 -3.598 5.572 1.00 0.85 H new ATOM 0 HE2 PHE B 26 -7.236 -2.359 5.967 1.00 0.92 H new ATOM 0 HZ PHE B 26 -4.867 -2.125 6.592 1.00 0.89 H new ATOM 458 N TYR B 27 -6.372 -8.156 0.990 1.00 0.64 N ATOM 459 CA TYR B 27 -7.061 -9.203 0.243 1.00 0.64 C ATOM 460 C TYR B 27 -6.051 -10.160 -0.398 1.00 0.62 C ATOM 461 O TYR B 27 -6.136 -10.463 -1.590 1.00 0.64 O ATOM 462 CB TYR B 27 -7.950 -8.577 -0.841 1.00 0.64 C ATOM 463 CG TYR B 27 -9.177 -7.849 -0.324 1.00 0.70 C ATOM 464 CD1 TYR B 27 -9.096 -6.944 0.729 1.00 0.73 C ATOM 465 CD2 TYR B 27 -10.420 -8.058 -0.909 1.00 0.79 C ATOM 466 CE1 TYR B 27 -10.214 -6.273 1.182 1.00 0.81 C ATOM 467 CE2 TYR B 27 -11.543 -7.392 -0.460 1.00 0.87 C ATOM 468 CZ TYR B 27 -11.436 -6.500 0.586 1.00 0.87 C ATOM 469 OH TYR B 27 -12.552 -5.830 1.033 1.00 0.96 O ATOM 0 H TYR B 27 -6.074 -7.364 0.420 1.00 0.64 H new ATOM 0 HA TYR B 27 -7.685 -9.769 0.935 1.00 0.64 H new ATOM 0 HB2 TYR B 27 -7.350 -7.878 -1.423 1.00 0.64 H new ATOM 0 HB3 TYR B 27 -8.273 -9.363 -1.523 1.00 0.64 H new ATOM 0 HD1 TYR B 27 -8.141 -6.763 1.201 1.00 0.73 H new ATOM 0 HD2 TYR B 27 -10.509 -8.754 -1.730 1.00 0.79 H new ATOM 0 HE1 TYR B 27 -10.132 -5.573 2.000 1.00 0.81 H new ATOM 0 HE2 TYR B 27 -12.501 -7.569 -0.926 1.00 0.87 H new ATOM 0 HH TYR B 27 -13.331 -6.104 0.505 1.00 0.96 H new ATOM 479 N LEU B 28 -5.084 -10.620 0.395 1.00 0.64 N ATOM 480 CA LEU B 28 -4.047 -11.525 -0.093 1.00 0.65 C ATOM 481 C LEU B 28 -4.631 -12.846 -0.614 1.00 0.64 C ATOM 482 O LEU B 28 -5.450 -13.487 0.047 1.00 0.63 O ATOM 483 CB LEU B 28 -3.011 -11.805 1.009 1.00 0.71 C ATOM 484 CG LEU B 28 -3.493 -12.648 2.201 1.00 0.74 C ATOM 485 CD1 LEU B 28 -2.307 -13.097 3.033 1.00 0.87 C ATOM 486 CD2 LEU B 28 -4.469 -11.872 3.076 1.00 0.77 C ATOM 0 H LEU B 28 -4.998 -10.379 1.382 1.00 0.64 H new ATOM 0 HA LEU B 28 -3.556 -11.028 -0.930 1.00 0.65 H new ATOM 0 HB2 LEU B 28 -2.158 -12.310 0.556 1.00 0.71 H new ATOM 0 HB3 LEU B 28 -2.650 -10.849 1.390 1.00 0.71 H new ATOM 0 HG LEU B 28 -4.013 -13.519 1.803 1.00 0.74 H new ATOM 0 HD11 LEU B 28 -2.658 -13.693 3.875 1.00 0.87 H new ATOM 0 HD12 LEU B 28 -1.637 -13.697 2.417 1.00 0.87 H new ATOM 0 HD13 LEU B 28 -1.772 -12.223 3.405 1.00 0.87 H new ATOM 0 HD21 LEU B 28 -4.789 -12.499 3.909 1.00 0.77 H new ATOM 0 HD22 LEU B 28 -3.980 -10.978 3.462 1.00 0.77 H new ATOM 0 HD23 LEU B 28 -5.338 -11.584 2.484 1.00 0.77 H new ATOM 498 N PRO B 29 -4.213 -13.268 -1.820 1.00 0.70 N ATOM 499 CA PRO B 29 -4.689 -14.512 -2.438 1.00 0.75 C ATOM 500 C PRO B 29 -4.097 -15.772 -1.788 1.00 0.69 C ATOM 501 O PRO B 29 -3.205 -16.412 -2.346 1.00 0.86 O ATOM 502 CB PRO B 29 -4.221 -14.381 -3.887 1.00 0.91 C ATOM 503 CG PRO B 29 -3.012 -13.513 -3.819 1.00 0.99 C ATOM 504 CD PRO B 29 -3.244 -12.558 -2.679 1.00 0.79 C ATOM 0 HA PRO B 29 -5.767 -14.632 -2.327 1.00 0.75 H new ATOM 0 HB2 PRO B 29 -3.985 -15.355 -4.316 1.00 0.91 H new ATOM 0 HB3 PRO B 29 -4.993 -13.935 -4.514 1.00 0.91 H new ATOM 0 HG2 PRO B 29 -2.114 -14.108 -3.652 1.00 0.99 H new ATOM 0 HG3 PRO B 29 -2.867 -12.974 -4.755 1.00 0.99 H new ATOM 0 HD2 PRO B 29 -2.319 -12.340 -2.144 1.00 0.79 H new ATOM 0 HD3 PRO B 29 -3.642 -11.605 -3.029 1.00 0.79 H new ATOM 512 N SER B 30 -4.589 -16.120 -0.602 1.00 0.51 N ATOM 513 CA SER B 30 -4.100 -17.299 0.117 1.00 0.49 C ATOM 514 C SER B 30 -5.147 -17.822 1.101 1.00 0.42 C ATOM 515 O SER B 30 -5.693 -17.063 1.903 1.00 0.42 O ATOM 516 CB SER B 30 -2.804 -16.977 0.871 1.00 0.54 C ATOM 517 OG SER B 30 -1.767 -16.595 -0.021 1.00 0.75 O ATOM 0 H SER B 30 -5.324 -15.606 -0.117 1.00 0.51 H new ATOM 0 HA SER B 30 -3.900 -18.073 -0.624 1.00 0.49 H new ATOM 0 HB2 SER B 30 -2.986 -16.174 1.585 1.00 0.54 H new ATOM 0 HB3 SER B 30 -2.489 -17.848 1.445 1.00 0.54 H new ATOM 0 HG SER B 30 -2.099 -16.628 -0.942 1.00 0.75 H new ATOM 523 N ASP B 31 -5.429 -19.121 1.022 1.00 0.54 N ATOM 524 CA ASP B 31 -6.416 -19.759 1.891 1.00 0.68 C ATOM 525 C ASP B 31 -5.981 -19.718 3.361 1.00 0.66 C ATOM 526 O ASP B 31 -4.898 -20.187 3.710 1.00 0.67 O ATOM 527 CB ASP B 31 -6.630 -21.210 1.456 1.00 0.86 C ATOM 528 CG ASP B 31 -6.932 -21.333 -0.025 1.00 1.01 C ATOM 529 OD1 ASP B 31 -6.035 -21.026 -0.843 1.00 1.00 O ATOM 530 OD2 ASP B 31 -8.064 -21.729 -0.366 1.00 1.24 O ATOM 0 H ASP B 31 -4.984 -19.756 0.360 1.00 0.54 H new ATOM 0 HA ASP B 31 -7.351 -19.205 1.800 1.00 0.68 H new ATOM 0 HB2 ASP B 31 -5.739 -21.792 1.691 1.00 0.86 H new ATOM 0 HB3 ASP B 31 -7.452 -21.640 2.028 1.00 0.86 H new ATOM 535 N CYS B 32 -6.842 -19.148 4.213 1.00 0.78 N ATOM 536 CA CYS B 32 -6.570 -19.026 5.653 1.00 0.91 C ATOM 537 C CYS B 32 -5.256 -18.275 5.906 1.00 0.83 C ATOM 538 O CYS B 32 -4.427 -18.691 6.718 1.00 0.96 O ATOM 539 CB CYS B 32 -6.531 -20.410 6.316 1.00 1.10 C ATOM 540 SG CYS B 32 -6.555 -20.366 8.126 1.00 1.34 S ATOM 0 H CYS B 32 -7.741 -18.760 3.928 1.00 0.78 H new ATOM 0 HA CYS B 32 -7.381 -18.450 6.098 1.00 0.91 H new ATOM 0 HB2 CYS B 32 -7.384 -20.992 5.966 1.00 1.10 H new ATOM 0 HB3 CYS B 32 -5.632 -20.932 5.988 1.00 1.10 H new ATOM 0 HG CYS B 32 -7.126 -19.269 8.526 1.00 1.34 H new ATOM 546 N GLY B 33 -5.077 -17.169 5.186 1.00 0.69 N ATOM 547 CA GLY B 33 -3.870 -16.362 5.311 1.00 0.74 C ATOM 548 C GLY B 33 -3.764 -15.605 6.630 1.00 0.94 C ATOM 549 O GLY B 33 -2.667 -15.239 7.046 1.00 1.10 O ATOM 0 H GLY B 33 -5.754 -16.813 4.511 1.00 0.69 H new ATOM 0 HA2 GLY B 33 -3.000 -17.010 5.205 1.00 0.74 H new ATOM 0 HA3 GLY B 33 -3.837 -15.646 4.490 1.00 0.74 H new ATOM 553 N GLU B 34 -4.901 -15.355 7.278 1.00 1.00 N ATOM 554 CA GLU B 34 -4.918 -14.624 8.549 1.00 1.22 C ATOM 555 C GLU B 34 -4.253 -15.426 9.682 1.00 1.43 C ATOM 556 O GLU B 34 -3.550 -14.863 10.519 1.00 1.62 O ATOM 557 CB GLU B 34 -6.361 -14.226 8.922 1.00 1.31 C ATOM 558 CG GLU B 34 -7.271 -15.373 9.369 1.00 1.43 C ATOM 559 CD GLU B 34 -7.316 -16.534 8.391 1.00 1.27 C ATOM 560 OE1 GLU B 34 -7.538 -16.293 7.185 1.00 1.10 O ATOM 561 OE2 GLU B 34 -7.110 -17.685 8.832 1.00 1.38 O ATOM 0 H GLU B 34 -5.821 -15.646 6.947 1.00 1.00 H new ATOM 0 HA GLU B 34 -4.331 -13.715 8.416 1.00 1.22 H new ATOM 0 HB2 GLU B 34 -6.319 -13.487 9.722 1.00 1.31 H new ATOM 0 HB3 GLU B 34 -6.818 -13.738 8.061 1.00 1.31 H new ATOM 0 HG2 GLU B 34 -6.930 -15.739 10.338 1.00 1.43 H new ATOM 0 HG3 GLU B 34 -8.281 -14.989 9.510 1.00 1.43 H new ATOM 568 N LYS B 35 -4.482 -16.736 9.697 1.00 1.44 N ATOM 569 CA LYS B 35 -3.908 -17.620 10.715 1.00 1.65 C ATOM 570 C LYS B 35 -2.437 -17.937 10.408 1.00 1.66 C ATOM 571 O LYS B 35 -1.573 -17.637 11.258 1.00 1.87 O ATOM 572 CB LYS B 35 -4.748 -18.907 10.795 1.00 1.69 C ATOM 573 CG LYS B 35 -4.253 -19.959 11.785 1.00 1.91 C ATOM 574 CD LYS B 35 -3.139 -20.843 11.216 1.00 1.88 C ATOM 575 CE LYS B 35 -3.547 -21.545 9.923 1.00 1.69 C ATOM 576 NZ LYS B 35 -3.449 -20.650 8.730 1.00 1.43 N ATOM 577 OXT LYS B 35 -2.169 -18.513 9.325 1.00 1.51 O ATOM 0 H LYS B 35 -5.066 -17.215 9.011 1.00 1.44 H new ATOM 0 HA LYS B 35 -3.931 -17.116 11.681 1.00 1.65 H new ATOM 0 HB2 LYS B 35 -5.770 -18.636 11.061 1.00 1.69 H new ATOM 0 HB3 LYS B 35 -4.785 -19.357 9.803 1.00 1.69 H new ATOM 0 HG2 LYS B 35 -3.890 -19.461 12.684 1.00 1.91 H new ATOM 0 HG3 LYS B 35 -5.090 -20.589 12.086 1.00 1.91 H new ATOM 0 HD2 LYS B 35 -2.255 -20.232 11.030 1.00 1.88 H new ATOM 0 HD3 LYS B 35 -2.859 -21.591 11.958 1.00 1.88 H new ATOM 0 HE2 LYS B 35 -2.912 -22.418 9.771 1.00 1.69 H new ATOM 0 HE3 LYS B 35 -4.570 -21.908 10.018 1.00 1.69 H new ATOM 0 HZ1 LYS B 35 -4.404 -20.424 8.386 1.00 1.43 H new ATOM 0 HZ2 LYS B 35 -2.959 -19.771 8.994 1.00 1.43 H new ATOM 0 HZ3 LYS B 35 -2.915 -21.131 7.978 1.00 1.43 H new TER 591 LYS B 35