USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 678 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 59 ASN : amide:sc= 0.915 K(o=2.5,f=-11!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -109:sc= 1.59 (180deg=-4.41!) USER MOD Set 2.1: A 29 SER OG : rot -75:sc= -0.645 USER MOD Set 2.2: A 30 HIS :FLIP no HD1:sc= -4.26! F(o=-6.3,f=-4.9!) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -0.443 (180deg=-2.24!) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.18) USER MOD Single : A 14 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= 0.899 (180deg=-1.88!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 18 LYS NZ :NH3+ -130:sc= 1.19 (180deg=-0.16) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -135:sc= -0.511 (180deg=-1.62!) USER MOD Single : A 33 GLN : amide:sc= -2.62! C(o=-2.6!,f=-2.6!) USER MOD Single : A 35 THR OG1 : rot -81:sc= 0.935 USER MOD Single : A 40 ASN : amide:sc= 0.622 K(o=0.62,f=-0.02) USER MOD Single : A 41 THR OG1 : rot 164:sc= 0.912 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 133:sc= -0.943! (180deg=-2.75!) USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= 0.528 (180deg=-3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 91:sc= 0.933 USER MOD Single : A 65 SER OG : rot -115:sc= 0.76 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -121:sc= -0.713 (180deg=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= -1.45 (180deg=-4.02!) USER MOD Single : A 73 TYR OH : rot 80:sc= -1.58! USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= 0.243 (180deg=-2.42!) USER MOD Single : A 81 LYS NZ :NH3+ -114:sc= 1.43 (180deg=0.934) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 0.97 (180deg=0.684) USER MOD Single : A 84 TYR OH : rot 169:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.402 4.271 -2.297 1.00 1.33 N ATOM 32 CA ALA A 3 4.484 4.790 -1.388 1.00 1.29 C ATOM 33 C ALA A 3 5.354 3.624 -0.812 1.00 1.04 C ATOM 34 O ALA A 3 6.482 3.798 -0.396 1.00 1.07 O ATOM 35 CB ALA A 3 3.763 5.585 -0.277 1.00 1.45 C ATOM 0 HA ALA A 3 5.184 5.430 -1.926 1.00 1.29 H new ATOM 0 HB1 ALA A 3 4.499 5.989 0.418 1.00 1.45 H new ATOM 0 HB2 ALA A 3 3.198 6.403 -0.723 1.00 1.45 H new ATOM 0 HB3 ALA A 3 3.082 4.924 0.260 1.00 1.45 H new ATOM 41 N GLU A 4 4.798 2.439 -0.819 1.00 0.86 N ATOM 42 CA GLU A 4 5.532 1.258 -0.295 1.00 0.65 C ATOM 43 C GLU A 4 6.856 1.088 -1.039 1.00 0.52 C ATOM 44 O GLU A 4 7.897 0.773 -0.495 1.00 0.31 O ATOM 45 CB GLU A 4 4.560 0.077 -0.441 1.00 0.74 C ATOM 46 CG GLU A 4 3.693 -0.073 0.872 1.00 0.81 C ATOM 47 CD GLU A 4 4.521 -0.488 2.100 1.00 2.91 C ATOM 48 OE1 GLU A 4 5.639 -0.959 1.981 1.00 4.21 O ATOM 49 OE2 GLU A 4 3.998 -0.314 3.181 1.00 3.25 O ATOM 0 H GLU A 4 3.860 2.242 -1.169 1.00 0.86 H new ATOM 0 HA GLU A 4 5.823 1.353 0.751 1.00 0.65 H new ATOM 0 HB2 GLU A 4 3.909 0.235 -1.301 1.00 0.74 H new ATOM 0 HB3 GLU A 4 5.116 -0.842 -0.627 1.00 0.74 H new ATOM 0 HG2 GLU A 4 3.195 0.874 1.081 1.00 0.81 H new ATOM 0 HG3 GLU A 4 2.912 -0.814 0.701 1.00 0.81 H new ATOM 56 N PHE A 5 6.720 1.341 -2.293 1.00 0.68 N ATOM 57 CA PHE A 5 7.837 1.262 -3.258 1.00 0.64 C ATOM 58 C PHE A 5 8.887 2.359 -2.969 1.00 0.68 C ATOM 59 O PHE A 5 10.070 2.112 -3.012 1.00 0.44 O ATOM 60 CB PHE A 5 7.167 1.415 -4.552 1.00 0.91 C ATOM 61 CG PHE A 5 8.235 1.585 -5.623 1.00 0.64 C ATOM 62 CD1 PHE A 5 8.802 0.481 -6.217 1.00 2.08 C ATOM 63 CD2 PHE A 5 8.655 2.839 -5.989 1.00 2.60 C ATOM 64 CE1 PHE A 5 9.782 0.640 -7.171 1.00 2.39 C ATOM 65 CE2 PHE A 5 9.630 3.002 -6.935 1.00 2.29 C ATOM 66 CZ PHE A 5 10.195 1.903 -7.532 1.00 0.45 C ATOM 0 H PHE A 5 5.832 1.615 -2.714 1.00 0.68 H new ATOM 0 HA PHE A 5 8.408 0.334 -3.212 1.00 0.64 H new ATOM 0 HB2 PHE A 5 6.550 0.543 -4.766 1.00 0.91 H new ATOM 0 HB3 PHE A 5 6.503 2.279 -4.537 1.00 0.91 H new ATOM 0 HD1 PHE A 5 8.478 -0.510 -5.935 1.00 2.08 H new ATOM 0 HD2 PHE A 5 8.211 3.707 -5.525 1.00 2.60 H new ATOM 0 HE1 PHE A 5 10.227 -0.227 -7.637 1.00 2.39 H new ATOM 0 HE2 PHE A 5 9.955 3.994 -7.212 1.00 2.29 H new ATOM 0 HZ PHE A 5 10.961 2.028 -8.283 1.00 0.45 H new ATOM 76 N ASP A 6 8.431 3.551 -2.698 1.00 1.16 N ATOM 77 CA ASP A 6 9.273 4.739 -2.385 1.00 1.44 C ATOM 78 C ASP A 6 10.053 4.460 -1.114 1.00 1.37 C ATOM 79 O ASP A 6 11.245 4.629 -0.987 1.00 1.56 O ATOM 80 CB ASP A 6 8.296 5.884 -2.236 1.00 1.81 C ATOM 81 CG ASP A 6 7.532 6.175 -3.519 1.00 2.14 C ATOM 82 OD1 ASP A 6 7.245 5.225 -4.221 1.00 2.15 O ATOM 83 OD2 ASP A 6 7.262 7.340 -3.715 1.00 2.89 O ATOM 0 H ASP A 6 7.433 3.759 -2.681 1.00 1.16 H new ATOM 0 HA ASP A 6 10.010 4.976 -3.152 1.00 1.44 H new ATOM 0 HB2 ASP A 6 7.588 5.651 -1.441 1.00 1.81 H new ATOM 0 HB3 ASP A 6 8.836 6.779 -1.929 1.00 1.81 H new ATOM 88 N LYS A 7 9.255 3.999 -0.201 1.00 1.15 N ATOM 89 CA LYS A 7 9.707 3.621 1.167 1.00 1.28 C ATOM 90 C LYS A 7 10.882 2.683 0.936 1.00 1.07 C ATOM 91 O LYS A 7 11.942 2.856 1.493 1.00 1.20 O ATOM 92 CB LYS A 7 8.489 2.952 1.829 1.00 1.20 C ATOM 93 CG LYS A 7 8.827 2.046 3.051 1.00 2.19 C ATOM 94 CD LYS A 7 7.513 1.262 3.328 1.00 3.17 C ATOM 95 CE LYS A 7 7.638 0.142 4.374 1.00 4.34 C ATOM 96 NZ LYS A 7 6.257 -0.423 4.483 1.00 5.95 N ATOM 0 H LYS A 7 8.256 3.861 -0.353 1.00 1.15 H new ATOM 0 HA LYS A 7 10.035 4.432 1.818 1.00 1.28 H new ATOM 0 HB2 LYS A 7 7.795 3.729 2.151 1.00 1.20 H new ATOM 0 HB3 LYS A 7 7.971 2.352 1.081 1.00 1.20 H new ATOM 0 HG2 LYS A 7 9.653 1.371 2.828 1.00 2.19 H new ATOM 0 HG3 LYS A 7 9.125 2.640 3.915 1.00 2.19 H new ATOM 0 HD2 LYS A 7 6.750 1.966 3.660 1.00 3.17 H new ATOM 0 HD3 LYS A 7 7.161 0.828 2.392 1.00 3.17 H new ATOM 0 HE2 LYS A 7 8.354 -0.617 4.059 1.00 4.34 H new ATOM 0 HE3 LYS A 7 7.985 0.530 5.332 1.00 4.34 H new ATOM 0 HZ1 LYS A 7 6.130 -0.850 5.423 1.00 5.95 H new ATOM 0 HZ2 LYS A 7 5.560 0.337 4.350 1.00 5.95 H new ATOM 0 HZ3 LYS A 7 6.120 -1.150 3.752 1.00 5.95 H new ATOM 110 N ALA A 8 10.630 1.727 0.079 1.00 0.70 N ATOM 111 CA ALA A 8 11.677 0.731 -0.247 1.00 0.50 C ATOM 112 C ALA A 8 12.831 1.528 -0.923 1.00 0.40 C ATOM 113 O ALA A 8 13.955 1.468 -0.466 1.00 0.35 O ATOM 114 CB ALA A 8 10.987 -0.320 -1.152 1.00 0.27 C ATOM 0 H ALA A 8 9.742 1.599 -0.406 1.00 0.70 H new ATOM 0 HA ALA A 8 12.112 0.196 0.597 1.00 0.50 H new ATOM 0 HB1 ALA A 8 11.707 -1.089 -1.431 1.00 0.27 H new ATOM 0 HB2 ALA A 8 10.159 -0.778 -0.611 1.00 0.27 H new ATOM 0 HB3 ALA A 8 10.609 0.166 -2.051 1.00 0.27 H new ATOM 120 N ALA A 9 12.575 2.255 -1.980 1.00 0.44 N ATOM 121 CA ALA A 9 13.665 3.035 -2.634 1.00 0.36 C ATOM 122 C ALA A 9 14.555 3.744 -1.602 1.00 0.51 C ATOM 123 O ALA A 9 15.758 3.604 -1.643 1.00 0.55 O ATOM 124 CB ALA A 9 13.007 4.036 -3.591 1.00 0.33 C ATOM 0 H ALA A 9 11.658 2.341 -2.418 1.00 0.44 H new ATOM 0 HA ALA A 9 14.324 2.364 -3.185 1.00 0.36 H new ATOM 0 HB1 ALA A 9 13.778 4.625 -4.088 1.00 0.33 H new ATOM 0 HB2 ALA A 9 12.425 3.496 -4.338 1.00 0.33 H new ATOM 0 HB3 ALA A 9 12.350 4.699 -3.028 1.00 0.33 H new ATOM 130 N GLU A 10 13.957 4.473 -0.706 1.00 0.61 N ATOM 131 CA GLU A 10 14.745 5.183 0.334 1.00 0.75 C ATOM 132 C GLU A 10 15.429 4.106 1.163 1.00 0.79 C ATOM 133 O GLU A 10 16.637 4.169 1.299 1.00 0.91 O ATOM 134 CB GLU A 10 13.738 6.070 1.123 1.00 0.59 C ATOM 135 CG GLU A 10 13.264 7.281 0.204 1.00 0.94 C ATOM 136 CD GLU A 10 14.411 8.238 -0.155 1.00 3.52 C ATOM 137 OE1 GLU A 10 15.273 7.797 -0.898 1.00 5.07 O ATOM 138 OE2 GLU A 10 14.354 9.350 0.337 1.00 4.49 O ATOM 0 H GLU A 10 12.948 4.608 -0.649 1.00 0.61 H new ATOM 0 HA GLU A 10 15.526 5.844 -0.043 1.00 0.75 H new ATOM 0 HB2 GLU A 10 12.878 5.476 1.432 1.00 0.59 H new ATOM 0 HB3 GLU A 10 14.206 6.450 2.031 1.00 0.59 H new ATOM 0 HG2 GLU A 10 12.826 6.886 -0.713 1.00 0.94 H new ATOM 0 HG3 GLU A 10 12.480 7.837 0.719 1.00 0.94 H new ATOM 145 N GLU A 11 14.704 3.150 1.690 1.00 0.73 N ATOM 146 CA GLU A 11 15.362 2.062 2.508 1.00 0.79 C ATOM 147 C GLU A 11 16.683 1.603 1.833 1.00 0.73 C ATOM 148 O GLU A 11 17.745 1.527 2.426 1.00 0.92 O ATOM 149 CB GLU A 11 14.410 0.890 2.597 1.00 0.92 C ATOM 150 CG GLU A 11 13.229 1.211 3.558 1.00 1.37 C ATOM 151 CD GLU A 11 13.026 0.243 4.738 1.00 1.86 C ATOM 152 OE1 GLU A 11 13.614 -0.835 4.733 1.00 4.00 O ATOM 153 OE2 GLU A 11 12.246 0.644 5.593 1.00 1.33 O ATOM 0 H GLU A 11 13.692 3.069 1.595 1.00 0.73 H new ATOM 0 HA GLU A 11 15.594 2.443 3.503 1.00 0.79 H new ATOM 0 HB2 GLU A 11 14.024 0.653 1.606 1.00 0.92 H new ATOM 0 HB3 GLU A 11 14.944 0.008 2.951 1.00 0.92 H new ATOM 0 HG2 GLU A 11 13.378 2.213 3.960 1.00 1.37 H new ATOM 0 HG3 GLU A 11 12.309 1.235 2.973 1.00 1.37 H new ATOM 160 N VAL A 12 16.556 1.324 0.558 1.00 0.48 N ATOM 161 CA VAL A 12 17.704 0.857 -0.278 1.00 0.38 C ATOM 162 C VAL A 12 18.733 1.980 -0.449 1.00 0.29 C ATOM 163 O VAL A 12 19.889 1.755 -0.172 1.00 0.32 O ATOM 164 CB VAL A 12 17.109 0.353 -1.633 1.00 0.36 C ATOM 165 CG1 VAL A 12 17.635 1.108 -2.860 1.00 0.70 C ATOM 166 CG2 VAL A 12 17.446 -1.141 -1.845 1.00 0.50 C ATOM 0 H VAL A 12 15.676 1.404 0.048 1.00 0.48 H new ATOM 0 HA VAL A 12 18.245 0.038 0.197 1.00 0.38 H new ATOM 0 HB VAL A 12 16.036 0.526 -1.553 1.00 0.36 H new ATOM 0 HG11 VAL A 12 17.177 0.701 -3.761 1.00 0.70 H new ATOM 0 HG12 VAL A 12 17.385 2.165 -2.771 1.00 0.70 H new ATOM 0 HG13 VAL A 12 18.717 0.995 -2.921 1.00 0.70 H new ATOM 0 HG21 VAL A 12 17.025 -1.478 -2.792 1.00 0.50 H new ATOM 0 HG22 VAL A 12 18.528 -1.271 -1.862 1.00 0.50 H new ATOM 0 HG23 VAL A 12 17.023 -1.729 -1.030 1.00 0.50 H new ATOM 176 N LYS A 13 18.375 3.156 -0.893 1.00 0.26 N ATOM 177 CA LYS A 13 19.380 4.256 -1.044 1.00 0.24 C ATOM 178 C LYS A 13 20.187 4.406 0.282 1.00 0.28 C ATOM 179 O LYS A 13 21.356 4.735 0.293 1.00 0.66 O ATOM 180 CB LYS A 13 18.643 5.567 -1.355 1.00 0.28 C ATOM 181 CG LYS A 13 18.903 6.079 -2.784 1.00 1.15 C ATOM 182 CD LYS A 13 18.466 7.566 -2.827 1.00 1.33 C ATOM 183 CE LYS A 13 19.587 8.469 -2.284 1.00 1.85 C ATOM 184 NZ LYS A 13 20.601 8.585 -3.367 1.00 2.50 N ATOM 0 H LYS A 13 17.423 3.406 -1.160 1.00 0.26 H new ATOM 0 HA LYS A 13 20.068 4.022 -1.857 1.00 0.24 H new ATOM 0 HB2 LYS A 13 17.572 5.417 -1.218 1.00 0.28 H new ATOM 0 HB3 LYS A 13 18.952 6.329 -0.640 1.00 0.28 H new ATOM 0 HG2 LYS A 13 19.958 5.981 -3.042 1.00 1.15 H new ATOM 0 HG3 LYS A 13 18.341 5.492 -3.511 1.00 1.15 H new ATOM 0 HD2 LYS A 13 18.224 7.851 -3.851 1.00 1.33 H new ATOM 0 HD3 LYS A 13 17.561 7.703 -2.235 1.00 1.33 H new ATOM 0 HE2 LYS A 13 19.197 9.450 -2.012 1.00 1.85 H new ATOM 0 HE3 LYS A 13 20.028 8.040 -1.384 1.00 1.85 H new ATOM 0 HZ1 LYS A 13 21.553 8.463 -2.966 1.00 2.50 H new ATOM 0 HZ2 LYS A 13 20.430 7.850 -4.083 1.00 2.50 H new ATOM 0 HZ3 LYS A 13 20.530 9.523 -3.810 1.00 2.50 H new ATOM 198 N HIS A 14 19.459 4.124 1.340 1.00 0.35 N ATOM 199 CA HIS A 14 19.954 4.182 2.765 1.00 0.58 C ATOM 200 C HIS A 14 20.759 2.937 3.204 1.00 0.69 C ATOM 201 O HIS A 14 21.210 2.848 4.336 1.00 0.90 O ATOM 202 CB HIS A 14 18.751 4.339 3.714 1.00 0.63 C ATOM 203 CG HIS A 14 18.078 5.684 3.532 1.00 0.79 C ATOM 204 ND1 HIS A 14 16.847 5.823 3.194 1.00 1.05 N ATOM 205 CD2 HIS A 14 18.554 6.972 3.670 1.00 0.90 C ATOM 206 CE1 HIS A 14 16.565 7.093 3.126 1.00 1.18 C ATOM 207 NE2 HIS A 14 17.599 7.839 3.415 1.00 1.11 N ATOM 0 H HIS A 14 18.482 3.839 1.270 1.00 0.35 H new ATOM 0 HA HIS A 14 20.631 5.035 2.815 1.00 0.58 H new ATOM 0 HB2 HIS A 14 18.031 3.542 3.527 1.00 0.63 H new ATOM 0 HB3 HIS A 14 19.083 4.233 4.747 1.00 0.63 H new ATOM 0 HD2 HIS A 14 19.565 7.231 3.947 1.00 0.90 H new ATOM 0 HE1 HIS A 14 15.593 7.483 2.862 1.00 1.18 H new ATOM 0 HE2 HIS A 14 17.652 8.857 3.437 1.00 1.11 H new ATOM 215 N LEU A 15 20.878 1.995 2.306 1.00 0.59 N ATOM 216 CA LEU A 15 21.657 0.751 2.599 1.00 0.64 C ATOM 217 C LEU A 15 23.067 1.256 2.900 1.00 0.97 C ATOM 218 O LEU A 15 23.680 1.934 2.103 1.00 1.45 O ATOM 219 CB LEU A 15 21.753 -0.182 1.382 1.00 0.48 C ATOM 220 CG LEU A 15 20.481 -0.952 1.128 1.00 0.35 C ATOM 221 CD1 LEU A 15 20.574 -1.471 -0.298 1.00 0.94 C ATOM 222 CD2 LEU A 15 20.389 -2.178 2.029 1.00 0.45 C ATOM 0 H LEU A 15 20.466 2.033 1.374 1.00 0.59 H new ATOM 0 HA LEU A 15 21.184 0.187 3.403 1.00 0.64 H new ATOM 0 HB2 LEU A 15 21.997 0.407 0.498 1.00 0.48 H new ATOM 0 HB3 LEU A 15 22.572 -0.885 1.533 1.00 0.48 H new ATOM 0 HG LEU A 15 19.622 -0.306 1.310 1.00 0.35 H new ATOM 0 HD11 LEU A 15 19.675 -2.039 -0.538 1.00 0.94 H new ATOM 0 HD12 LEU A 15 20.666 -0.630 -0.986 1.00 0.94 H new ATOM 0 HD13 LEU A 15 21.447 -2.116 -0.394 1.00 0.94 H new ATOM 0 HD21 LEU A 15 19.462 -2.712 1.823 1.00 0.45 H new ATOM 0 HD22 LEU A 15 21.237 -2.835 1.837 1.00 0.45 H new ATOM 0 HD23 LEU A 15 20.402 -1.864 3.073 1.00 0.45 H new ATOM 234 N LYS A 16 23.555 0.911 4.054 1.00 0.88 N ATOM 235 CA LYS A 16 24.926 1.318 4.502 1.00 1.08 C ATOM 236 C LYS A 16 25.967 0.877 3.440 1.00 0.91 C ATOM 237 O LYS A 16 27.102 1.297 3.441 1.00 1.01 O ATOM 238 CB LYS A 16 25.178 0.637 5.895 1.00 1.24 C ATOM 239 CG LYS A 16 24.240 1.167 7.064 1.00 2.27 C ATOM 240 CD LYS A 16 22.744 1.244 6.628 1.00 2.65 C ATOM 241 CE LYS A 16 21.763 1.591 7.738 1.00 2.08 C ATOM 242 NZ LYS A 16 20.698 2.484 7.147 1.00 3.50 N ATOM 0 H LYS A 16 23.048 0.344 4.733 1.00 0.88 H new ATOM 0 HA LYS A 16 25.017 2.399 4.608 1.00 1.08 H new ATOM 0 HB2 LYS A 16 25.036 -0.439 5.791 1.00 1.24 H new ATOM 0 HB3 LYS A 16 26.218 0.795 6.180 1.00 1.24 H new ATOM 0 HG2 LYS A 16 24.332 0.509 7.928 1.00 2.27 H new ATOM 0 HG3 LYS A 16 24.577 2.155 7.378 1.00 2.27 H new ATOM 0 HD2 LYS A 16 22.651 1.988 5.837 1.00 2.65 H new ATOM 0 HD3 LYS A 16 22.457 0.284 6.199 1.00 2.65 H new ATOM 0 HE2 LYS A 16 21.317 0.686 8.151 1.00 2.08 H new ATOM 0 HE3 LYS A 16 22.275 2.097 8.557 1.00 2.08 H new ATOM 0 HZ1 LYS A 16 20.752 3.425 7.586 1.00 3.50 H new ATOM 0 HZ2 LYS A 16 20.848 2.571 6.121 1.00 3.50 H new ATOM 0 HZ3 LYS A 16 19.760 2.071 7.326 1.00 3.50 H new ATOM 256 N THR A 17 25.516 0.011 2.576 1.00 0.94 N ATOM 257 CA THR A 17 26.369 -0.525 1.491 1.00 1.34 C ATOM 258 C THR A 17 25.667 -0.624 0.133 1.00 1.81 C ATOM 259 O THR A 17 24.467 -0.761 0.056 1.00 3.03 O ATOM 260 CB THR A 17 26.849 -1.869 2.014 1.00 1.20 C ATOM 261 OG1 THR A 17 27.692 -1.526 3.108 1.00 1.18 O ATOM 262 CG2 THR A 17 27.784 -2.587 1.057 1.00 1.76 C ATOM 0 H THR A 17 24.564 -0.355 2.582 1.00 0.94 H new ATOM 0 HA THR A 17 27.196 0.150 1.272 1.00 1.34 H new ATOM 0 HB THR A 17 25.984 -2.501 2.213 1.00 1.20 H new ATOM 0 HG1 THR A 17 28.050 -2.343 3.513 1.00 1.18 H new ATOM 0 HG21 THR A 17 28.089 -3.539 1.492 1.00 1.76 H new ATOM 0 HG22 THR A 17 27.270 -2.767 0.113 1.00 1.76 H new ATOM 0 HG23 THR A 17 28.665 -1.971 0.879 1.00 1.76 H new ATOM 270 N LYS A 18 26.488 -0.563 -0.881 1.00 0.86 N ATOM 271 CA LYS A 18 26.122 -0.641 -2.325 1.00 1.10 C ATOM 272 C LYS A 18 26.332 -2.167 -2.604 1.00 0.81 C ATOM 273 O LYS A 18 27.464 -2.604 -2.745 1.00 0.91 O ATOM 274 CB LYS A 18 27.108 0.324 -3.076 1.00 1.46 C ATOM 275 CG LYS A 18 28.609 -0.091 -2.926 1.00 1.52 C ATOM 276 CD LYS A 18 29.109 -0.659 -4.288 1.00 1.77 C ATOM 277 CE LYS A 18 30.454 -1.389 -4.150 1.00 1.95 C ATOM 278 NZ LYS A 18 30.177 -2.726 -3.542 1.00 3.62 N ATOM 0 H LYS A 18 27.493 -0.451 -0.746 1.00 0.86 H new ATOM 0 HA LYS A 18 25.123 -0.335 -2.634 1.00 1.10 H new ATOM 0 HB2 LYS A 18 26.848 0.347 -4.134 1.00 1.46 H new ATOM 0 HB3 LYS A 18 26.977 1.336 -2.693 1.00 1.46 H new ATOM 0 HG2 LYS A 18 29.211 0.769 -2.631 1.00 1.52 H new ATOM 0 HG3 LYS A 18 28.717 -0.840 -2.142 1.00 1.52 H new ATOM 0 HD2 LYS A 18 28.364 -1.346 -4.690 1.00 1.77 H new ATOM 0 HD3 LYS A 18 29.211 0.156 -5.005 1.00 1.77 H new ATOM 0 HE2 LYS A 18 30.931 -1.502 -5.124 1.00 1.95 H new ATOM 0 HE3 LYS A 18 31.139 -0.817 -3.524 1.00 1.95 H new ATOM 0 HZ1 LYS A 18 30.816 -2.880 -2.736 1.00 3.62 H new ATOM 0 HZ2 LYS A 18 29.191 -2.760 -3.213 1.00 3.62 H new ATOM 0 HZ3 LYS A 18 30.331 -3.469 -4.253 1.00 3.62 H new ATOM 292 N PRO A 19 25.246 -2.914 -2.667 1.00 0.64 N ATOM 293 CA PRO A 19 25.273 -4.394 -2.914 1.00 0.41 C ATOM 294 C PRO A 19 26.060 -4.924 -4.134 1.00 0.40 C ATOM 295 O PRO A 19 26.813 -4.213 -4.774 1.00 0.68 O ATOM 296 CB PRO A 19 23.751 -4.743 -2.914 1.00 0.27 C ATOM 297 CG PRO A 19 23.165 -3.662 -1.965 1.00 0.64 C ATOM 298 CD PRO A 19 23.837 -2.429 -2.515 1.00 0.84 C ATOM 0 HA PRO A 19 25.862 -4.905 -2.153 1.00 0.41 H new ATOM 0 HB2 PRO A 19 23.320 -4.684 -3.913 1.00 0.27 H new ATOM 0 HB3 PRO A 19 23.565 -5.752 -2.546 1.00 0.27 H new ATOM 0 HG2 PRO A 19 22.078 -3.604 -2.022 1.00 0.64 H new ATOM 0 HG3 PRO A 19 23.420 -3.843 -0.921 1.00 0.64 H new ATOM 0 HD2 PRO A 19 23.405 -2.113 -3.465 1.00 0.84 H new ATOM 0 HD3 PRO A 19 23.764 -1.581 -1.834 1.00 0.84 H new ATOM 306 N ALA A 20 25.869 -6.183 -4.441 1.00 0.51 N ATOM 307 CA ALA A 20 26.592 -6.789 -5.614 1.00 0.63 C ATOM 308 C ALA A 20 25.848 -6.435 -6.923 1.00 0.41 C ATOM 309 O ALA A 20 24.683 -6.083 -6.882 1.00 0.44 O ATOM 310 CB ALA A 20 26.638 -8.314 -5.402 1.00 0.78 C ATOM 0 H ALA A 20 25.249 -6.818 -3.937 1.00 0.51 H new ATOM 0 HA ALA A 20 27.607 -6.398 -5.691 1.00 0.63 H new ATOM 0 HB1 ALA A 20 27.157 -8.782 -6.238 1.00 0.78 H new ATOM 0 HB2 ALA A 20 27.167 -8.537 -4.476 1.00 0.78 H new ATOM 0 HB3 ALA A 20 25.622 -8.704 -5.342 1.00 0.78 H new ATOM 316 N ASP A 21 26.525 -6.522 -8.044 1.00 0.35 N ATOM 317 CA ASP A 21 25.850 -6.192 -9.329 1.00 0.45 C ATOM 318 C ASP A 21 24.486 -6.859 -9.429 1.00 0.35 C ATOM 319 O ASP A 21 23.540 -6.123 -9.448 1.00 0.27 O ATOM 320 CB ASP A 21 26.678 -6.656 -10.557 1.00 0.83 C ATOM 321 CG ASP A 21 28.137 -6.240 -10.568 1.00 1.21 C ATOM 322 OD1 ASP A 21 28.688 -5.814 -9.563 1.00 1.56 O ATOM 323 OD2 ASP A 21 28.677 -6.373 -11.650 1.00 3.03 O ATOM 0 H ASP A 21 27.502 -6.804 -8.120 1.00 0.35 H new ATOM 0 HA ASP A 21 25.748 -5.107 -9.336 1.00 0.45 H new ATOM 0 HB2 ASP A 21 26.630 -7.743 -10.613 1.00 0.83 H new ATOM 0 HB3 ASP A 21 26.203 -6.269 -11.458 1.00 0.83 H new ATOM 328 N GLU A 22 24.376 -8.161 -9.491 1.00 0.47 N ATOM 329 CA GLU A 22 23.014 -8.811 -9.592 1.00 0.56 C ATOM 330 C GLU A 22 21.910 -8.050 -8.835 1.00 0.50 C ATOM 331 O GLU A 22 20.842 -7.740 -9.337 1.00 0.82 O ATOM 332 CB GLU A 22 23.033 -10.266 -9.019 1.00 0.76 C ATOM 333 CG GLU A 22 23.874 -11.226 -9.889 1.00 1.01 C ATOM 334 CD GLU A 22 23.587 -12.680 -9.515 1.00 1.58 C ATOM 335 OE1 GLU A 22 23.973 -13.084 -8.429 1.00 0.36 O ATOM 336 OE2 GLU A 22 22.979 -13.301 -10.367 1.00 3.53 O ATOM 0 H GLU A 22 25.163 -8.810 -9.477 1.00 0.47 H new ATOM 0 HA GLU A 22 22.788 -8.804 -10.658 1.00 0.56 H new ATOM 0 HB2 GLU A 22 23.435 -10.250 -8.006 1.00 0.76 H new ATOM 0 HB3 GLU A 22 22.012 -10.641 -8.951 1.00 0.76 H new ATOM 0 HG2 GLU A 22 23.647 -11.064 -10.943 1.00 1.01 H new ATOM 0 HG3 GLU A 22 24.934 -11.013 -9.755 1.00 1.01 H new ATOM 343 N GLU A 23 22.248 -7.755 -7.610 1.00 0.32 N ATOM 344 CA GLU A 23 21.330 -7.033 -6.705 1.00 0.27 C ATOM 345 C GLU A 23 21.161 -5.601 -7.282 1.00 0.19 C ATOM 346 O GLU A 23 20.040 -5.215 -7.551 1.00 0.22 O ATOM 347 CB GLU A 23 22.014 -7.154 -5.278 1.00 0.21 C ATOM 348 CG GLU A 23 22.129 -8.694 -4.818 1.00 0.28 C ATOM 349 CD GLU A 23 22.786 -8.955 -3.429 1.00 0.84 C ATOM 350 OE1 GLU A 23 23.285 -8.038 -2.797 1.00 2.72 O ATOM 351 OE2 GLU A 23 22.751 -10.121 -3.052 1.00 1.33 O ATOM 0 H GLU A 23 23.148 -7.994 -7.194 1.00 0.32 H new ATOM 0 HA GLU A 23 20.314 -7.418 -6.614 1.00 0.27 H new ATOM 0 HB2 GLU A 23 23.007 -6.705 -5.308 1.00 0.21 H new ATOM 0 HB3 GLU A 23 21.433 -6.595 -4.544 1.00 0.21 H new ATOM 0 HG2 GLU A 23 21.127 -9.123 -4.808 1.00 0.28 H new ATOM 0 HG3 GLU A 23 22.700 -9.234 -5.573 1.00 0.28 H new ATOM 358 N MET A 24 22.244 -4.880 -7.440 1.00 0.11 N ATOM 359 CA MET A 24 22.201 -3.484 -8.011 1.00 0.07 C ATOM 360 C MET A 24 21.341 -3.523 -9.310 1.00 0.09 C ATOM 361 O MET A 24 20.414 -2.773 -9.483 1.00 0.14 O ATOM 362 CB MET A 24 23.687 -3.080 -8.233 1.00 0.18 C ATOM 363 CG MET A 24 24.341 -2.723 -6.869 1.00 0.48 C ATOM 364 SD MET A 24 25.811 -1.663 -6.884 1.00 2.26 S ATOM 365 CE MET A 24 24.977 -0.056 -6.944 1.00 1.40 C ATOM 0 H MET A 24 23.180 -5.202 -7.193 1.00 0.11 H new ATOM 0 HA MET A 24 21.735 -2.739 -7.366 1.00 0.07 H new ATOM 0 HB2 MET A 24 24.230 -3.899 -8.705 1.00 0.18 H new ATOM 0 HB3 MET A 24 23.745 -2.227 -8.910 1.00 0.18 H new ATOM 0 HG2 MET A 24 23.585 -2.237 -6.253 1.00 0.48 H new ATOM 0 HG3 MET A 24 24.607 -3.656 -6.371 1.00 0.48 H new ATOM 0 HE1 MET A 24 25.722 0.740 -6.960 1.00 1.40 H new ATOM 0 HE2 MET A 24 24.364 0.003 -7.844 1.00 1.40 H new ATOM 0 HE3 MET A 24 24.343 0.058 -6.065 1.00 1.40 H new ATOM 375 N LEU A 25 21.712 -4.414 -10.176 1.00 0.18 N ATOM 376 CA LEU A 25 21.107 -4.723 -11.480 1.00 0.26 C ATOM 377 C LEU A 25 19.585 -4.831 -11.277 1.00 0.30 C ATOM 378 O LEU A 25 18.802 -4.111 -11.869 1.00 0.52 O ATOM 379 CB LEU A 25 21.746 -6.059 -11.931 1.00 0.28 C ATOM 380 CG LEU A 25 23.183 -5.985 -12.499 1.00 0.24 C ATOM 381 CD1 LEU A 25 23.547 -7.338 -13.109 1.00 0.26 C ATOM 382 CD2 LEU A 25 23.278 -4.956 -13.615 1.00 0.17 C ATOM 0 H LEU A 25 22.519 -5.011 -9.992 1.00 0.18 H new ATOM 0 HA LEU A 25 21.280 -3.964 -12.243 1.00 0.26 H new ATOM 0 HB2 LEU A 25 21.752 -6.738 -11.079 1.00 0.28 H new ATOM 0 HB3 LEU A 25 21.103 -6.505 -12.690 1.00 0.28 H new ATOM 0 HG LEU A 25 23.852 -5.712 -11.683 1.00 0.24 H new ATOM 0 HD11 LEU A 25 24.559 -7.295 -13.512 1.00 0.26 H new ATOM 0 HD12 LEU A 25 23.495 -8.109 -12.341 1.00 0.26 H new ATOM 0 HD13 LEU A 25 22.847 -7.576 -13.910 1.00 0.26 H new ATOM 0 HD21 LEU A 25 24.299 -4.925 -13.996 1.00 0.17 H new ATOM 0 HD22 LEU A 25 22.598 -5.230 -14.422 1.00 0.17 H new ATOM 0 HD23 LEU A 25 23.005 -3.974 -13.229 1.00 0.17 H new ATOM 394 N PHE A 26 19.214 -5.727 -10.397 1.00 0.24 N ATOM 395 CA PHE A 26 17.767 -5.952 -10.104 1.00 0.24 C ATOM 396 C PHE A 26 17.177 -4.643 -9.578 1.00 0.13 C ATOM 397 O PHE A 26 16.226 -4.116 -10.101 1.00 0.16 O ATOM 398 CB PHE A 26 17.687 -7.087 -9.067 1.00 0.25 C ATOM 399 CG PHE A 26 16.238 -7.515 -8.771 1.00 0.43 C ATOM 400 CD1 PHE A 26 15.284 -6.598 -8.374 1.00 0.30 C ATOM 401 CD2 PHE A 26 15.868 -8.841 -8.891 1.00 1.14 C ATOM 402 CE1 PHE A 26 13.996 -6.999 -8.107 1.00 0.26 C ATOM 403 CE2 PHE A 26 14.574 -9.243 -8.619 1.00 1.34 C ATOM 404 CZ PHE A 26 13.633 -8.318 -8.223 1.00 0.82 C ATOM 0 H PHE A 26 19.856 -6.315 -9.866 1.00 0.24 H new ATOM 0 HA PHE A 26 17.196 -6.241 -10.986 1.00 0.24 H new ATOM 0 HB2 PHE A 26 18.249 -7.947 -9.431 1.00 0.25 H new ATOM 0 HB3 PHE A 26 18.163 -6.763 -8.141 1.00 0.25 H new ATOM 0 HD1 PHE A 26 15.552 -5.557 -8.272 1.00 0.30 H new ATOM 0 HD2 PHE A 26 16.599 -9.573 -9.201 1.00 1.14 H new ATOM 0 HE1 PHE A 26 13.262 -6.268 -7.803 1.00 0.26 H new ATOM 0 HE2 PHE A 26 14.300 -10.283 -8.717 1.00 1.34 H new ATOM 0 HZ PHE A 26 12.621 -8.627 -8.006 1.00 0.82 H new ATOM 414 N ILE A 27 17.742 -4.117 -8.540 1.00 0.13 N ATOM 415 CA ILE A 27 17.227 -2.835 -7.961 1.00 0.23 C ATOM 416 C ILE A 27 17.050 -1.735 -9.012 1.00 0.18 C ATOM 417 O ILE A 27 16.006 -1.133 -9.111 1.00 0.34 O ATOM 418 CB ILE A 27 18.223 -2.497 -6.853 1.00 0.46 C ATOM 419 CG1 ILE A 27 17.897 -3.414 -5.652 1.00 0.63 C ATOM 420 CG2 ILE A 27 18.221 -1.020 -6.436 1.00 0.45 C ATOM 421 CD1 ILE A 27 16.500 -3.093 -5.028 1.00 0.61 C ATOM 0 H ILE A 27 18.546 -4.515 -8.056 1.00 0.13 H new ATOM 0 HA ILE A 27 16.217 -2.931 -7.562 1.00 0.23 H new ATOM 0 HB ILE A 27 19.231 -2.670 -7.230 1.00 0.46 H new ATOM 0 HG12 ILE A 27 17.919 -4.455 -5.975 1.00 0.63 H new ATOM 0 HG13 ILE A 27 18.668 -3.301 -4.890 1.00 0.63 H new ATOM 0 HG21 ILE A 27 18.955 -0.864 -5.646 1.00 0.45 H new ATOM 0 HG22 ILE A 27 18.475 -0.399 -7.295 1.00 0.45 H new ATOM 0 HG23 ILE A 27 17.231 -0.746 -6.071 1.00 0.45 H new ATOM 0 HD11 ILE A 27 16.314 -3.762 -4.188 1.00 0.61 H new ATOM 0 HD12 ILE A 27 16.486 -2.060 -4.679 1.00 0.61 H new ATOM 0 HD13 ILE A 27 15.724 -3.232 -5.781 1.00 0.61 H new ATOM 433 N TYR A 28 18.063 -1.478 -9.780 1.00 0.26 N ATOM 434 CA TYR A 28 18.019 -0.441 -10.849 1.00 0.31 C ATOM 435 C TYR A 28 16.911 -0.838 -11.863 1.00 0.21 C ATOM 436 O TYR A 28 15.998 -0.062 -12.069 1.00 0.27 O ATOM 437 CB TYR A 28 19.448 -0.428 -11.419 1.00 0.44 C ATOM 438 CG TYR A 28 19.793 0.788 -12.284 1.00 0.55 C ATOM 439 CD1 TYR A 28 19.923 2.044 -11.726 1.00 2.77 C ATOM 440 CD2 TYR A 28 20.011 0.646 -13.633 1.00 1.94 C ATOM 441 CE1 TYR A 28 20.268 3.130 -12.511 1.00 2.90 C ATOM 442 CE2 TYR A 28 20.355 1.736 -14.406 1.00 1.79 C ATOM 443 CZ TYR A 28 20.487 2.982 -13.854 1.00 0.77 C ATOM 444 OH TYR A 28 20.856 4.042 -14.649 1.00 0.90 O ATOM 0 H TYR A 28 18.958 -1.962 -9.710 1.00 0.26 H new ATOM 0 HA TYR A 28 17.757 0.566 -10.523 1.00 0.31 H new ATOM 0 HB2 TYR A 28 20.154 -0.476 -10.590 1.00 0.44 H new ATOM 0 HB3 TYR A 28 19.593 -1.330 -12.014 1.00 0.44 H new ATOM 0 HD1 TYR A 28 19.754 2.180 -10.668 1.00 2.77 H new ATOM 0 HD2 TYR A 28 19.912 -0.327 -14.092 1.00 1.94 H new ATOM 0 HE1 TYR A 28 20.366 4.106 -12.059 1.00 2.90 H new ATOM 0 HE2 TYR A 28 20.523 1.604 -15.465 1.00 1.79 H new ATOM 0 HH TYR A 28 20.965 3.735 -15.573 1.00 0.90 H new ATOM 454 N SER A 29 17.013 -2.012 -12.447 1.00 0.11 N ATOM 455 CA SER A 29 15.984 -2.493 -13.446 1.00 0.16 C ATOM 456 C SER A 29 14.575 -2.318 -12.885 1.00 0.13 C ATOM 457 O SER A 29 13.744 -1.649 -13.455 1.00 0.13 O ATOM 458 CB SER A 29 16.236 -3.991 -13.771 1.00 0.25 C ATOM 459 OG SER A 29 16.236 -4.641 -12.502 1.00 0.32 O ATOM 0 H SER A 29 17.773 -2.670 -12.275 1.00 0.11 H new ATOM 0 HA SER A 29 16.074 -1.901 -14.357 1.00 0.16 H new ATOM 0 HB2 SER A 29 15.458 -4.392 -14.421 1.00 0.25 H new ATOM 0 HB3 SER A 29 17.186 -4.130 -14.287 1.00 0.25 H new ATOM 0 HG SER A 29 17.077 -4.450 -12.036 1.00 0.32 H new ATOM 465 N HIS A 30 14.339 -2.935 -11.765 1.00 0.16 N ATOM 466 CA HIS A 30 13.015 -2.861 -11.078 1.00 0.16 C ATOM 467 C HIS A 30 12.696 -1.421 -10.673 1.00 0.14 C ATOM 468 O HIS A 30 11.669 -0.927 -11.087 1.00 0.28 O ATOM 469 CB HIS A 30 13.111 -3.832 -9.897 1.00 0.15 C ATOM 470 CG HIS A 30 12.905 -5.183 -10.540 1.00 0.03 C ATOM 471 ND1 HIS A 30 13.778 -6.107 -11.067 1.00 0.40 N flip ATOM 472 CD2 HIS A 30 11.738 -5.688 -10.717 1.00 0.42 C flip ATOM 473 CE1 HIS A 30 13.109 -7.137 -11.541 1.00 0.27 C flip ATOM 474 NE2 HIS A 30 11.854 -6.839 -11.308 1.00 0.32 N flip ATOM 0 H HIS A 30 15.029 -3.507 -11.279 1.00 0.16 H new ATOM 0 HA HIS A 30 12.185 -3.150 -11.723 1.00 0.16 H new ATOM 0 HB2 HIS A 30 14.079 -3.766 -9.400 1.00 0.15 H new ATOM 0 HB3 HIS A 30 12.351 -3.625 -9.143 1.00 0.15 H new ATOM 0 HD2 HIS A 30 10.807 -5.228 -10.421 1.00 0.42 H new ATOM 0 HE1 HIS A 30 13.504 -8.024 -12.014 1.00 0.27 H new ATOM 0 HE2 HIS A 30 11.066 -7.436 -11.559 1.00 0.32 H new ATOM 482 N TYR A 31 13.501 -0.748 -9.901 1.00 0.24 N ATOM 483 CA TYR A 31 13.183 0.662 -9.533 1.00 0.20 C ATOM 484 C TYR A 31 12.814 1.472 -10.807 1.00 0.26 C ATOM 485 O TYR A 31 11.911 2.288 -10.782 1.00 0.25 O ATOM 486 CB TYR A 31 14.409 1.227 -8.819 1.00 0.19 C ATOM 487 CG TYR A 31 14.129 2.681 -8.475 1.00 0.11 C ATOM 488 CD1 TYR A 31 13.300 3.040 -7.440 1.00 0.13 C ATOM 489 CD2 TYR A 31 14.696 3.649 -9.251 1.00 0.47 C ATOM 490 CE1 TYR A 31 13.046 4.375 -7.203 1.00 0.18 C ATOM 491 CE2 TYR A 31 14.451 4.981 -9.026 1.00 0.64 C ATOM 492 CZ TYR A 31 13.613 5.352 -7.991 1.00 0.47 C ATOM 493 OH TYR A 31 13.308 6.673 -7.730 1.00 0.69 O ATOM 0 H TYR A 31 14.368 -1.113 -9.507 1.00 0.24 H new ATOM 0 HA TYR A 31 12.320 0.722 -8.869 1.00 0.20 H new ATOM 0 HB2 TYR A 31 14.619 0.656 -7.915 1.00 0.19 H new ATOM 0 HB3 TYR A 31 15.290 1.150 -9.457 1.00 0.19 H new ATOM 0 HD1 TYR A 31 12.850 2.282 -6.816 1.00 0.13 H new ATOM 0 HD2 TYR A 31 15.352 3.361 -10.060 1.00 0.47 H new ATOM 0 HE1 TYR A 31 12.394 4.658 -6.389 1.00 0.18 H new ATOM 0 HE2 TYR A 31 14.909 5.732 -9.652 1.00 0.64 H new ATOM 0 HH TYR A 31 13.782 7.250 -8.365 1.00 0.69 H new ATOM 503 N LYS A 32 13.522 1.230 -11.883 1.00 0.52 N ATOM 504 CA LYS A 32 13.222 1.954 -13.156 1.00 0.57 C ATOM 505 C LYS A 32 11.929 1.438 -13.786 1.00 0.55 C ATOM 506 O LYS A 32 11.087 2.219 -14.151 1.00 0.62 O ATOM 507 CB LYS A 32 14.386 1.747 -14.090 1.00 0.49 C ATOM 508 CG LYS A 32 15.312 2.974 -14.010 1.00 0.45 C ATOM 509 CD LYS A 32 16.703 2.569 -13.507 1.00 1.51 C ATOM 510 CE LYS A 32 16.754 2.701 -12.019 1.00 1.05 C ATOM 511 NZ LYS A 32 16.723 4.170 -11.772 1.00 1.74 N ATOM 0 H LYS A 32 14.293 0.564 -11.934 1.00 0.52 H new ATOM 0 HA LYS A 32 13.081 3.016 -12.956 1.00 0.57 H new ATOM 0 HB2 LYS A 32 14.932 0.844 -13.818 1.00 0.49 H new ATOM 0 HB3 LYS A 32 14.030 1.609 -15.111 1.00 0.49 H new ATOM 0 HG2 LYS A 32 15.396 3.438 -14.993 1.00 0.45 H new ATOM 0 HG3 LYS A 32 14.880 3.719 -13.342 1.00 0.45 H new ATOM 0 HD2 LYS A 32 16.922 1.542 -13.799 1.00 1.51 H new ATOM 0 HD3 LYS A 32 17.465 3.200 -13.965 1.00 1.51 H new ATOM 0 HE2 LYS A 32 15.908 2.202 -11.547 1.00 1.05 H new ATOM 0 HE3 LYS A 32 17.658 2.249 -11.611 1.00 1.05 H new ATOM 0 HZ1 LYS A 32 17.437 4.417 -11.057 1.00 1.74 H new ATOM 0 HZ2 LYS A 32 16.931 4.675 -12.657 1.00 1.74 H new ATOM 0 HZ3 LYS A 32 15.780 4.445 -11.430 1.00 1.74 H new ATOM 525 N GLN A 33 11.786 0.151 -13.923 1.00 0.52 N ATOM 526 CA GLN A 33 10.548 -0.455 -14.516 1.00 0.56 C ATOM 527 C GLN A 33 9.342 -0.125 -13.615 1.00 0.76 C ATOM 528 O GLN A 33 8.209 -0.165 -14.048 1.00 1.60 O ATOM 529 CB GLN A 33 10.760 -1.993 -14.619 1.00 0.60 C ATOM 530 CG GLN A 33 10.703 -2.417 -16.102 1.00 0.70 C ATOM 531 CD GLN A 33 9.336 -2.274 -16.754 1.00 1.10 C ATOM 532 OE1 GLN A 33 9.166 -2.474 -17.931 1.00 3.24 O ATOM 533 NE2 GLN A 33 8.304 -1.940 -16.061 1.00 1.16 N ATOM 0 H GLN A 33 12.492 -0.530 -13.643 1.00 0.52 H new ATOM 0 HA GLN A 33 10.354 -0.052 -15.510 1.00 0.56 H new ATOM 0 HB2 GLN A 33 11.722 -2.269 -14.187 1.00 0.60 H new ATOM 0 HB3 GLN A 33 9.992 -2.517 -14.049 1.00 0.60 H new ATOM 0 HG2 GLN A 33 11.422 -1.821 -16.664 1.00 0.70 H new ATOM 0 HG3 GLN A 33 11.021 -3.457 -16.181 1.00 0.70 H new ATOM 0 HE21 GLN A 33 8.397 -1.760 -15.061 1.00 1.16 H new ATOM 0 HE22 GLN A 33 7.393 -1.855 -16.512 1.00 1.16 H new ATOM 542 N ALA A 34 9.605 0.179 -12.378 1.00 0.15 N ATOM 543 CA ALA A 34 8.540 0.528 -11.392 1.00 0.15 C ATOM 544 C ALA A 34 8.181 2.040 -11.390 1.00 0.16 C ATOM 545 O ALA A 34 7.061 2.413 -11.094 1.00 0.24 O ATOM 546 CB ALA A 34 9.069 0.072 -10.052 1.00 0.14 C ATOM 0 H ALA A 34 10.549 0.201 -11.993 1.00 0.15 H new ATOM 0 HA ALA A 34 7.602 0.035 -11.648 1.00 0.15 H new ATOM 0 HB1 ALA A 34 8.337 0.297 -9.276 1.00 0.14 H new ATOM 0 HB2 ALA A 34 9.251 -1.002 -10.079 1.00 0.14 H new ATOM 0 HB3 ALA A 34 10.001 0.592 -9.833 1.00 0.14 H new ATOM 552 N THR A 35 9.120 2.884 -11.724 1.00 0.14 N ATOM 553 CA THR A 35 8.818 4.372 -11.735 1.00 0.25 C ATOM 554 C THR A 35 8.818 4.927 -13.156 1.00 0.18 C ATOM 555 O THR A 35 7.974 5.726 -13.510 1.00 0.13 O ATOM 556 CB THR A 35 9.858 5.138 -10.932 1.00 0.44 C ATOM 557 OG1 THR A 35 11.077 4.790 -11.553 1.00 0.48 O ATOM 558 CG2 THR A 35 10.001 4.574 -9.553 1.00 0.57 C ATOM 0 H THR A 35 10.071 2.628 -11.988 1.00 0.14 H new ATOM 0 HA THR A 35 7.830 4.498 -11.292 1.00 0.25 H new ATOM 0 HB THR A 35 9.600 6.196 -10.888 1.00 0.44 H new ATOM 0 HG1 THR A 35 11.375 3.917 -11.223 1.00 0.48 H new ATOM 0 HG21 THR A 35 10.751 5.142 -9.003 1.00 0.57 H new ATOM 0 HG22 THR A 35 9.045 4.637 -9.033 1.00 0.57 H new ATOM 0 HG23 THR A 35 10.311 3.531 -9.617 1.00 0.57 H new ATOM 566 N VAL A 36 9.766 4.478 -13.932 1.00 0.24 N ATOM 567 CA VAL A 36 9.902 4.927 -15.359 1.00 0.23 C ATOM 568 C VAL A 36 9.036 4.002 -16.256 1.00 0.14 C ATOM 569 O VAL A 36 8.141 4.472 -16.926 1.00 0.29 O ATOM 570 CB VAL A 36 11.421 4.850 -15.774 1.00 0.29 C ATOM 571 CG1 VAL A 36 11.596 5.425 -17.193 1.00 0.36 C ATOM 572 CG2 VAL A 36 12.309 5.659 -14.800 1.00 0.67 C ATOM 0 H VAL A 36 10.471 3.803 -13.635 1.00 0.24 H new ATOM 0 HA VAL A 36 9.559 5.955 -15.478 1.00 0.23 H new ATOM 0 HB VAL A 36 11.726 3.804 -15.743 1.00 0.29 H new ATOM 0 HG11 VAL A 36 12.646 5.372 -17.480 1.00 0.36 H new ATOM 0 HG12 VAL A 36 10.998 4.846 -17.897 1.00 0.36 H new ATOM 0 HG13 VAL A 36 11.268 6.464 -17.207 1.00 0.36 H new ATOM 0 HG21 VAL A 36 13.351 5.587 -15.112 1.00 0.67 H new ATOM 0 HG22 VAL A 36 11.999 6.704 -14.808 1.00 0.67 H new ATOM 0 HG23 VAL A 36 12.204 5.257 -13.792 1.00 0.67 H new ATOM 582 N GLY A 37 9.321 2.724 -16.241 1.00 0.07 N ATOM 583 CA GLY A 37 8.558 1.707 -17.066 1.00 0.20 C ATOM 584 C GLY A 37 9.401 0.948 -18.103 1.00 0.19 C ATOM 585 O GLY A 37 10.515 0.532 -17.844 1.00 0.19 O ATOM 0 H GLY A 37 10.071 2.322 -15.678 1.00 0.07 H new ATOM 0 HA2 GLY A 37 8.101 0.983 -16.391 1.00 0.20 H new ATOM 0 HA3 GLY A 37 7.746 2.217 -17.583 1.00 0.20 H new ATOM 589 N ASP A 38 8.837 0.784 -19.269 1.00 0.86 N ATOM 590 CA ASP A 38 9.523 0.066 -20.383 1.00 1.26 C ATOM 591 C ASP A 38 10.741 0.920 -20.828 1.00 1.29 C ATOM 592 O ASP A 38 10.586 1.903 -21.536 1.00 2.63 O ATOM 593 CB ASP A 38 8.468 -0.100 -21.511 1.00 2.19 C ATOM 594 CG ASP A 38 7.122 -0.509 -20.941 1.00 2.40 C ATOM 595 OD1 ASP A 38 6.414 0.438 -20.627 1.00 1.07 O ATOM 596 OD2 ASP A 38 6.919 -1.706 -20.858 1.00 4.27 O ATOM 0 H ASP A 38 7.905 1.127 -19.502 1.00 0.86 H new ATOM 0 HA ASP A 38 9.900 -0.917 -20.100 1.00 1.26 H new ATOM 0 HB2 ASP A 38 8.365 0.837 -22.059 1.00 2.19 H new ATOM 0 HB3 ASP A 38 8.808 -0.851 -22.224 1.00 2.19 H new ATOM 601 N ILE A 39 11.924 0.560 -20.382 1.00 1.56 N ATOM 602 CA ILE A 39 13.138 1.354 -20.786 1.00 1.23 C ATOM 603 C ILE A 39 13.096 1.817 -22.264 1.00 2.12 C ATOM 604 O ILE A 39 13.215 1.012 -23.169 1.00 2.90 O ATOM 605 CB ILE A 39 14.431 0.498 -20.519 1.00 1.16 C ATOM 606 CG1 ILE A 39 15.560 1.543 -20.407 1.00 0.72 C ATOM 607 CG2 ILE A 39 14.844 -0.511 -21.623 1.00 1.83 C ATOM 608 CD1 ILE A 39 16.852 0.856 -19.982 1.00 0.86 C ATOM 0 H ILE A 39 12.103 -0.234 -19.767 1.00 1.56 H new ATOM 0 HA ILE A 39 13.152 2.260 -20.181 1.00 1.23 H new ATOM 0 HB ILE A 39 14.240 -0.121 -19.643 1.00 1.16 H new ATOM 0 HG12 ILE A 39 15.701 2.045 -21.364 1.00 0.72 H new ATOM 0 HG13 ILE A 39 15.289 2.310 -19.682 1.00 0.72 H new ATOM 0 HG21 ILE A 39 15.749 -1.036 -21.316 1.00 1.83 H new ATOM 0 HG22 ILE A 39 14.041 -1.232 -21.776 1.00 1.83 H new ATOM 0 HG23 ILE A 39 15.033 0.025 -22.553 1.00 1.83 H new ATOM 0 HD11 ILE A 39 17.649 1.596 -19.903 1.00 0.86 H new ATOM 0 HD12 ILE A 39 16.707 0.375 -19.015 1.00 0.86 H new ATOM 0 HD13 ILE A 39 17.126 0.105 -20.723 1.00 0.86 H new ATOM 620 N ASN A 40 12.910 3.092 -22.481 1.00 2.52 N ATOM 621 CA ASN A 40 12.863 3.638 -23.879 1.00 3.65 C ATOM 622 C ASN A 40 13.916 4.765 -24.032 1.00 3.68 C ATOM 623 O ASN A 40 13.751 5.729 -24.756 1.00 4.64 O ATOM 624 CB ASN A 40 11.399 4.108 -24.091 1.00 4.69 C ATOM 625 CG ASN A 40 11.007 5.151 -23.062 1.00 4.70 C ATOM 626 OD1 ASN A 40 11.091 6.340 -23.265 1.00 5.42 O ATOM 627 ND2 ASN A 40 10.563 4.778 -21.911 1.00 4.61 N ATOM 0 H ASN A 40 12.787 3.789 -21.746 1.00 2.52 H new ATOM 0 HA ASN A 40 13.119 2.905 -24.644 1.00 3.65 H new ATOM 0 HB2 ASN A 40 11.288 4.522 -25.093 1.00 4.69 H new ATOM 0 HB3 ASN A 40 10.726 3.254 -24.022 1.00 4.69 H new ATOM 0 HD21 ASN A 40 10.299 5.476 -21.215 1.00 4.61 H new ATOM 0 HD22 ASN A 40 10.475 3.785 -21.696 1.00 4.61 H new ATOM 634 N THR A 41 14.981 4.552 -23.303 1.00 2.74 N ATOM 635 CA THR A 41 16.162 5.488 -23.260 1.00 2.79 C ATOM 636 C THR A 41 17.331 4.987 -24.129 1.00 2.36 C ATOM 637 O THR A 41 17.212 4.053 -24.898 1.00 2.08 O ATOM 638 CB THR A 41 16.709 5.616 -21.796 1.00 2.69 C ATOM 639 OG1 THR A 41 17.539 4.463 -21.611 1.00 2.29 O ATOM 640 CG2 THR A 41 15.643 5.340 -20.727 1.00 2.67 C ATOM 0 H THR A 41 15.090 3.732 -22.707 1.00 2.74 H new ATOM 0 HA THR A 41 15.803 6.445 -23.638 1.00 2.79 H new ATOM 0 HB THR A 41 17.142 6.611 -21.695 1.00 2.69 H new ATOM 0 HG1 THR A 41 18.114 4.596 -20.828 1.00 2.29 H new ATOM 0 HG21 THR A 41 16.085 5.445 -19.736 1.00 2.67 H new ATOM 0 HG22 THR A 41 14.825 6.052 -20.836 1.00 2.67 H new ATOM 0 HG23 THR A 41 15.260 4.327 -20.848 1.00 2.67 H new ATOM 648 N GLU A 42 18.449 5.643 -23.957 1.00 2.39 N ATOM 649 CA GLU A 42 19.674 5.264 -24.716 1.00 2.06 C ATOM 650 C GLU A 42 20.436 4.157 -23.963 1.00 2.00 C ATOM 651 O GLU A 42 20.064 3.761 -22.876 1.00 2.28 O ATOM 652 CB GLU A 42 20.528 6.538 -24.868 1.00 2.18 C ATOM 653 CG GLU A 42 19.818 7.464 -25.894 1.00 4.95 C ATOM 654 CD GLU A 42 20.409 8.886 -25.967 1.00 5.86 C ATOM 655 OE1 GLU A 42 21.511 9.091 -25.482 1.00 6.07 O ATOM 656 OE2 GLU A 42 19.697 9.699 -26.528 1.00 6.63 O ATOM 0 H GLU A 42 18.565 6.430 -23.319 1.00 2.39 H new ATOM 0 HA GLU A 42 19.426 4.867 -25.701 1.00 2.06 H new ATOM 0 HB2 GLU A 42 20.636 7.043 -23.908 1.00 2.18 H new ATOM 0 HB3 GLU A 42 21.532 6.287 -25.210 1.00 2.18 H new ATOM 0 HG2 GLU A 42 19.875 7.006 -26.882 1.00 4.95 H new ATOM 0 HG3 GLU A 42 18.761 7.533 -25.635 1.00 4.95 H new ATOM 663 N ARG A 43 21.493 3.748 -24.594 1.00 1.66 N ATOM 664 CA ARG A 43 22.392 2.673 -24.088 1.00 1.59 C ATOM 665 C ARG A 43 23.663 3.227 -23.381 1.00 1.86 C ATOM 666 O ARG A 43 24.400 3.980 -23.990 1.00 2.42 O ATOM 667 CB ARG A 43 22.770 1.814 -25.282 1.00 1.29 C ATOM 668 CG ARG A 43 23.556 0.586 -24.775 1.00 1.22 C ATOM 669 CD ARG A 43 23.345 -0.519 -25.762 1.00 1.00 C ATOM 670 NE ARG A 43 24.339 -1.594 -25.379 1.00 1.09 N ATOM 671 CZ ARG A 43 24.002 -2.818 -25.146 1.00 0.98 C ATOM 672 NH1 ARG A 43 23.511 -3.140 -24.020 1.00 2.69 N ATOM 673 NH2 ARG A 43 24.178 -3.680 -26.058 1.00 2.06 N ATOM 0 H ARG A 43 21.788 4.136 -25.490 1.00 1.66 H new ATOM 0 HA ARG A 43 21.869 2.093 -23.328 1.00 1.59 H new ATOM 0 HB2 ARG A 43 21.876 1.496 -25.818 1.00 1.29 H new ATOM 0 HB3 ARG A 43 23.375 2.387 -25.984 1.00 1.29 H new ATOM 0 HG2 ARG A 43 24.616 0.821 -24.682 1.00 1.22 H new ATOM 0 HG3 ARG A 43 23.208 0.289 -23.786 1.00 1.22 H new ATOM 0 HD2 ARG A 43 22.323 -0.895 -25.718 1.00 1.00 H new ATOM 0 HD3 ARG A 43 23.514 -0.173 -26.782 1.00 1.00 H new ATOM 0 HE ARG A 43 25.323 -1.339 -25.301 1.00 1.09 H new ATOM 0 HH11 ARG A 43 23.382 -2.431 -23.298 1.00 2.69 H new ATOM 0 HH12 ARG A 43 23.245 -4.108 -23.837 1.00 2.69 H new ATOM 0 HH21 ARG A 43 24.578 -3.401 -26.953 1.00 2.06 H new ATOM 0 HH22 ARG A 43 23.919 -4.653 -25.897 1.00 2.06 H new ATOM 687 N PRO A 44 23.891 2.846 -22.136 1.00 1.90 N ATOM 688 CA PRO A 44 25.053 3.260 -21.281 1.00 2.37 C ATOM 689 C PRO A 44 26.307 3.945 -21.822 1.00 3.05 C ATOM 690 O PRO A 44 26.872 4.791 -21.161 1.00 4.62 O ATOM 691 CB PRO A 44 25.337 1.948 -20.541 1.00 2.22 C ATOM 692 CG PRO A 44 23.900 1.609 -20.114 1.00 2.84 C ATOM 693 CD PRO A 44 23.032 1.911 -21.356 1.00 2.16 C ATOM 0 HA PRO A 44 24.754 4.141 -20.713 1.00 2.37 H new ATOM 0 HB2 PRO A 44 25.778 1.187 -21.185 1.00 2.22 H new ATOM 0 HB3 PRO A 44 26.010 2.078 -19.694 1.00 2.22 H new ATOM 0 HG2 PRO A 44 23.813 0.564 -19.816 1.00 2.84 H new ATOM 0 HG3 PRO A 44 23.590 2.211 -19.260 1.00 2.84 H new ATOM 0 HD2 PRO A 44 22.802 1.007 -21.919 1.00 2.16 H new ATOM 0 HD3 PRO A 44 22.080 2.367 -21.084 1.00 2.16 H new ATOM 701 N GLY A 45 26.690 3.552 -22.990 1.00 3.04 N ATOM 702 CA GLY A 45 27.910 4.123 -23.655 1.00 3.69 C ATOM 703 C GLY A 45 28.891 3.008 -23.967 1.00 3.70 C ATOM 704 O GLY A 45 28.499 1.874 -24.130 1.00 4.61 O ATOM 0 H GLY A 45 26.206 2.841 -23.538 1.00 3.04 H new ATOM 0 HA2 GLY A 45 27.628 4.640 -24.572 1.00 3.69 H new ATOM 0 HA3 GLY A 45 28.379 4.861 -23.005 1.00 3.69 H new ATOM 708 N MET A 46 30.143 3.342 -24.044 1.00 3.30 N ATOM 709 CA MET A 46 31.205 2.322 -24.347 1.00 4.12 C ATOM 710 C MET A 46 31.817 1.910 -22.991 1.00 3.59 C ATOM 711 O MET A 46 32.991 2.110 -22.764 1.00 3.63 O ATOM 712 CB MET A 46 32.255 2.995 -25.275 1.00 5.28 C ATOM 713 CG MET A 46 31.551 3.908 -26.289 1.00 5.71 C ATOM 714 SD MET A 46 32.577 4.714 -27.544 1.00 5.35 S ATOM 715 CE MET A 46 32.044 6.423 -27.277 1.00 6.14 C ATOM 0 H MET A 46 30.492 4.291 -23.909 1.00 3.30 H new ATOM 0 HA MET A 46 30.822 1.436 -24.854 1.00 4.12 H new ATOM 0 HB2 MET A 46 32.960 3.575 -24.680 1.00 5.28 H new ATOM 0 HB3 MET A 46 32.831 2.232 -25.799 1.00 5.28 H new ATOM 0 HG2 MET A 46 30.793 3.317 -26.803 1.00 5.71 H new ATOM 0 HG3 MET A 46 31.027 4.686 -25.734 1.00 5.71 H new ATOM 0 HE1 MET A 46 32.572 7.081 -27.967 1.00 6.14 H new ATOM 0 HE2 MET A 46 30.971 6.501 -27.451 1.00 6.14 H new ATOM 0 HE3 MET A 46 32.268 6.718 -26.252 1.00 6.14 H new ATOM 725 N LEU A 47 31.039 1.331 -22.119 1.00 3.39 N ATOM 726 CA LEU A 47 31.566 0.921 -20.764 1.00 2.96 C ATOM 727 C LEU A 47 31.193 -0.568 -20.528 1.00 1.94 C ATOM 728 O LEU A 47 30.222 -0.859 -19.844 1.00 2.83 O ATOM 729 CB LEU A 47 30.909 1.814 -19.645 1.00 3.22 C ATOM 730 CG LEU A 47 30.494 3.235 -20.082 1.00 5.32 C ATOM 731 CD1 LEU A 47 29.818 3.895 -18.878 1.00 6.70 C ATOM 732 CD2 LEU A 47 31.699 4.094 -20.481 1.00 4.81 C ATOM 0 H LEU A 47 30.054 1.118 -22.277 1.00 3.39 H new ATOM 0 HA LEU A 47 32.648 1.050 -20.727 1.00 2.96 H new ATOM 0 HB2 LEU A 47 30.027 1.298 -19.265 1.00 3.22 H new ATOM 0 HB3 LEU A 47 31.610 1.899 -18.815 1.00 3.22 H new ATOM 0 HG LEU A 47 29.837 3.159 -20.949 1.00 5.32 H new ATOM 0 HD11 LEU A 47 29.507 4.905 -19.144 1.00 6.70 H new ATOM 0 HD12 LEU A 47 28.945 3.312 -18.586 1.00 6.70 H new ATOM 0 HD13 LEU A 47 30.520 3.938 -18.045 1.00 6.70 H new ATOM 0 HD21 LEU A 47 31.357 5.084 -20.781 1.00 4.81 H new ATOM 0 HD22 LEU A 47 32.377 4.186 -19.633 1.00 4.81 H new ATOM 0 HD23 LEU A 47 32.221 3.623 -21.314 1.00 4.81 H new ATOM 744 N ASP A 48 31.932 -1.498 -21.062 1.00 2.34 N ATOM 745 CA ASP A 48 31.546 -2.924 -20.835 1.00 2.25 C ATOM 746 C ASP A 48 31.904 -3.654 -19.512 1.00 2.96 C ATOM 747 O ASP A 48 32.357 -4.784 -19.462 1.00 4.77 O ATOM 748 CB ASP A 48 32.087 -3.606 -22.121 1.00 2.12 C ATOM 749 CG ASP A 48 31.139 -3.161 -23.230 1.00 1.61 C ATOM 750 OD1 ASP A 48 30.027 -3.666 -23.225 1.00 1.51 O ATOM 751 OD2 ASP A 48 31.519 -2.327 -24.032 1.00 2.62 O ATOM 0 H ASP A 48 32.764 -1.344 -21.631 1.00 2.34 H new ATOM 0 HA ASP A 48 30.470 -2.982 -20.670 1.00 2.25 H new ATOM 0 HB2 ASP A 48 33.112 -3.298 -22.330 1.00 2.12 H new ATOM 0 HB3 ASP A 48 32.094 -4.691 -22.019 1.00 2.12 H new ATOM 756 N PHE A 49 31.680 -2.911 -18.461 1.00 1.90 N ATOM 757 CA PHE A 49 31.920 -3.432 -17.088 1.00 2.73 C ATOM 758 C PHE A 49 30.443 -3.805 -16.679 1.00 2.12 C ATOM 759 O PHE A 49 29.910 -4.846 -16.991 1.00 3.20 O ATOM 760 CB PHE A 49 32.659 -2.249 -16.229 1.00 3.55 C ATOM 761 CG PHE A 49 31.830 -1.024 -15.778 1.00 3.49 C ATOM 762 CD1 PHE A 49 31.389 -0.061 -16.656 1.00 5.04 C ATOM 763 CD2 PHE A 49 31.487 -0.903 -14.439 1.00 3.26 C ATOM 764 CE1 PHE A 49 30.623 1.000 -16.203 1.00 5.70 C ATOM 765 CE2 PHE A 49 30.731 0.149 -13.995 1.00 4.24 C ATOM 766 CZ PHE A 49 30.296 1.099 -14.869 1.00 5.16 C ATOM 0 H PHE A 49 31.336 -1.952 -18.499 1.00 1.90 H new ATOM 0 HA PHE A 49 32.581 -4.287 -16.946 1.00 2.73 H new ATOM 0 HB2 PHE A 49 33.084 -2.707 -15.335 1.00 3.55 H new ATOM 0 HB3 PHE A 49 33.493 -1.881 -16.826 1.00 3.55 H new ATOM 0 HD1 PHE A 49 31.641 -0.133 -17.704 1.00 5.04 H new ATOM 0 HD2 PHE A 49 31.822 -1.651 -13.735 1.00 3.26 H new ATOM 0 HE1 PHE A 49 30.281 1.752 -16.898 1.00 5.70 H new ATOM 0 HE2 PHE A 49 30.479 0.226 -12.948 1.00 4.24 H new ATOM 0 HZ PHE A 49 29.697 1.926 -14.517 1.00 5.16 H new ATOM 776 N LYS A 50 29.852 -2.907 -15.952 1.00 1.09 N ATOM 777 CA LYS A 50 28.472 -2.849 -15.373 1.00 1.84 C ATOM 778 C LYS A 50 27.559 -1.932 -16.253 1.00 1.95 C ATOM 779 O LYS A 50 26.353 -2.074 -16.336 1.00 3.36 O ATOM 780 CB LYS A 50 28.682 -2.331 -13.977 1.00 2.12 C ATOM 781 CG LYS A 50 29.672 -3.254 -13.200 1.00 3.66 C ATOM 782 CD LYS A 50 29.920 -2.635 -11.799 1.00 3.98 C ATOM 783 CE LYS A 50 31.017 -3.366 -11.044 1.00 4.22 C ATOM 784 NZ LYS A 50 30.635 -4.803 -10.979 1.00 6.14 N ATOM 0 H LYS A 50 30.368 -2.065 -15.695 1.00 1.09 H new ATOM 0 HA LYS A 50 27.957 -3.810 -15.351 1.00 1.84 H new ATOM 0 HB2 LYS A 50 29.075 -1.315 -14.014 1.00 2.12 H new ATOM 0 HB3 LYS A 50 27.728 -2.285 -13.451 1.00 2.12 H new ATOM 0 HG2 LYS A 50 29.258 -4.258 -13.103 1.00 3.66 H new ATOM 0 HG3 LYS A 50 30.611 -3.347 -13.745 1.00 3.66 H new ATOM 0 HD2 LYS A 50 30.192 -1.585 -11.909 1.00 3.98 H new ATOM 0 HD3 LYS A 50 28.997 -2.666 -11.220 1.00 3.98 H new ATOM 0 HE2 LYS A 50 31.975 -3.247 -11.550 1.00 4.22 H new ATOM 0 HE3 LYS A 50 31.132 -2.954 -10.041 1.00 4.22 H new ATOM 0 HZ1 LYS A 50 31.451 -5.391 -11.242 1.00 6.14 H new ATOM 0 HZ2 LYS A 50 30.335 -5.039 -10.012 1.00 6.14 H new ATOM 0 HZ3 LYS A 50 29.851 -4.984 -11.638 1.00 6.14 H new ATOM 798 N GLY A 51 28.237 -0.988 -16.863 1.00 0.78 N ATOM 799 CA GLY A 51 27.663 0.062 -17.785 1.00 0.73 C ATOM 800 C GLY A 51 26.393 -0.387 -18.480 1.00 0.54 C ATOM 801 O GLY A 51 25.329 0.108 -18.189 1.00 0.66 O ATOM 0 H GLY A 51 29.246 -0.895 -16.750 1.00 0.78 H new ATOM 0 HA2 GLY A 51 27.456 0.966 -17.212 1.00 0.73 H new ATOM 0 HA3 GLY A 51 28.408 0.324 -18.536 1.00 0.73 H new ATOM 805 N LYS A 52 26.568 -1.304 -19.382 1.00 0.37 N ATOM 806 CA LYS A 52 25.415 -1.873 -20.163 1.00 0.33 C ATOM 807 C LYS A 52 24.555 -2.851 -19.331 1.00 0.25 C ATOM 808 O LYS A 52 23.363 -2.924 -19.533 1.00 0.26 O ATOM 809 CB LYS A 52 25.910 -2.665 -21.394 1.00 0.19 C ATOM 810 CG LYS A 52 26.384 -1.797 -22.579 1.00 0.37 C ATOM 811 CD LYS A 52 27.814 -1.248 -22.326 1.00 1.71 C ATOM 812 CE LYS A 52 28.399 -0.737 -23.647 1.00 1.94 C ATOM 813 NZ LYS A 52 28.780 -1.893 -24.496 1.00 0.75 N ATOM 0 H LYS A 52 27.477 -1.699 -19.624 1.00 0.37 H new ATOM 0 HA LYS A 52 24.818 -1.010 -20.457 1.00 0.33 H new ATOM 0 HB2 LYS A 52 26.731 -3.312 -21.085 1.00 0.19 H new ATOM 0 HB3 LYS A 52 25.105 -3.314 -21.738 1.00 0.19 H new ATOM 0 HG2 LYS A 52 26.374 -2.388 -23.495 1.00 0.37 H new ATOM 0 HG3 LYS A 52 25.692 -0.968 -22.727 1.00 0.37 H new ATOM 0 HD2 LYS A 52 27.783 -0.442 -21.593 1.00 1.71 H new ATOM 0 HD3 LYS A 52 28.449 -2.031 -21.912 1.00 1.71 H new ATOM 0 HE2 LYS A 52 27.668 -0.116 -24.165 1.00 1.94 H new ATOM 0 HE3 LYS A 52 29.270 -0.111 -23.454 1.00 1.94 H new ATOM 0 HZ1 LYS A 52 29.681 -1.691 -24.974 1.00 0.75 H new ATOM 0 HZ2 LYS A 52 28.886 -2.740 -23.902 1.00 0.75 H new ATOM 0 HZ3 LYS A 52 28.040 -2.060 -25.208 1.00 0.75 H new ATOM 827 N ALA A 53 25.197 -3.512 -18.399 1.00 0.42 N ATOM 828 CA ALA A 53 24.496 -4.508 -17.549 1.00 0.40 C ATOM 829 C ALA A 53 23.264 -3.849 -16.909 1.00 0.36 C ATOM 830 O ALA A 53 22.161 -4.343 -17.007 1.00 0.33 O ATOM 831 CB ALA A 53 25.516 -5.021 -16.479 1.00 0.45 C ATOM 0 H ALA A 53 26.189 -3.398 -18.193 1.00 0.42 H new ATOM 0 HA ALA A 53 24.141 -5.358 -18.131 1.00 0.40 H new ATOM 0 HB1 ALA A 53 25.031 -5.756 -15.837 1.00 0.45 H new ATOM 0 HB2 ALA A 53 26.367 -5.482 -16.980 1.00 0.45 H new ATOM 0 HB3 ALA A 53 25.861 -4.183 -15.874 1.00 0.45 H new ATOM 837 N LYS A 54 23.498 -2.735 -16.276 1.00 0.46 N ATOM 838 CA LYS A 54 22.373 -1.995 -15.611 1.00 0.52 C ATOM 839 C LYS A 54 21.294 -1.492 -16.610 1.00 0.39 C ATOM 840 O LYS A 54 20.203 -1.148 -16.212 1.00 0.31 O ATOM 841 CB LYS A 54 23.018 -0.837 -14.826 1.00 0.64 C ATOM 842 CG LYS A 54 23.550 0.217 -15.792 1.00 0.66 C ATOM 843 CD LYS A 54 24.574 1.094 -15.058 1.00 0.72 C ATOM 844 CE LYS A 54 24.959 2.299 -15.928 1.00 2.58 C ATOM 845 NZ LYS A 54 26.126 3.011 -15.291 1.00 2.76 N ATOM 0 H LYS A 54 24.416 -2.299 -16.186 1.00 0.46 H new ATOM 0 HA LYS A 54 21.828 -2.666 -14.947 1.00 0.52 H new ATOM 0 HB2 LYS A 54 22.285 -0.390 -14.155 1.00 0.64 H new ATOM 0 HB3 LYS A 54 23.830 -1.216 -14.205 1.00 0.64 H new ATOM 0 HG2 LYS A 54 24.014 -0.262 -16.654 1.00 0.66 H new ATOM 0 HG3 LYS A 54 22.731 0.830 -16.170 1.00 0.66 H new ATOM 0 HD2 LYS A 54 24.157 1.438 -14.111 1.00 0.72 H new ATOM 0 HD3 LYS A 54 25.462 0.508 -14.821 1.00 0.72 H new ATOM 0 HE2 LYS A 54 25.222 1.969 -16.933 1.00 2.58 H new ATOM 0 HE3 LYS A 54 24.112 2.978 -16.027 1.00 2.58 H new ATOM 0 HZ1 LYS A 54 26.394 3.829 -15.874 1.00 2.76 H new ATOM 0 HZ2 LYS A 54 25.857 3.336 -14.340 1.00 2.76 H new ATOM 0 HZ3 LYS A 54 26.933 2.359 -15.218 1.00 2.76 H new ATOM 859 N TRP A 55 21.568 -1.445 -17.894 1.00 0.40 N ATOM 860 CA TRP A 55 20.521 -0.958 -18.865 1.00 0.27 C ATOM 861 C TRP A 55 19.859 -2.261 -19.204 1.00 0.21 C ATOM 862 O TRP A 55 18.694 -2.474 -18.944 1.00 0.68 O ATOM 863 CB TRP A 55 21.183 -0.374 -20.095 1.00 0.51 C ATOM 864 CG TRP A 55 20.209 0.469 -20.921 1.00 0.63 C ATOM 865 CD1 TRP A 55 19.745 1.693 -20.529 1.00 0.81 C ATOM 866 CD2 TRP A 55 19.684 0.144 -22.136 1.00 0.62 C ATOM 867 NE1 TRP A 55 18.969 2.024 -21.541 1.00 0.91 N ATOM 868 CE2 TRP A 55 18.864 1.181 -22.539 1.00 0.80 C ATOM 869 CE3 TRP A 55 19.815 -0.959 -22.984 1.00 0.50 C ATOM 870 CZ2 TRP A 55 18.183 1.153 -23.742 1.00 0.84 C ATOM 871 CZ3 TRP A 55 19.134 -1.006 -24.204 1.00 0.52 C ATOM 872 CH2 TRP A 55 18.312 0.058 -24.584 1.00 0.70 C ATOM 0 H TRP A 55 22.458 -1.718 -18.312 1.00 0.40 H new ATOM 0 HA TRP A 55 19.856 -0.182 -18.485 1.00 0.27 H new ATOM 0 HB2 TRP A 55 22.031 0.242 -19.793 1.00 0.51 H new ATOM 0 HB3 TRP A 55 21.579 -1.181 -20.712 1.00 0.51 H new ATOM 0 HD1 TRP A 55 19.959 2.245 -19.626 1.00 0.81 H new ATOM 0 HE1 TRP A 55 18.465 2.911 -21.548 1.00 0.91 H new ATOM 0 HE3 TRP A 55 20.449 -1.784 -22.694 1.00 0.50 H new ATOM 0 HZ2 TRP A 55 17.552 1.982 -24.026 1.00 0.84 H new ATOM 0 HZ3 TRP A 55 19.243 -1.863 -24.852 1.00 0.52 H new ATOM 0 HH2 TRP A 55 17.782 0.028 -25.525 1.00 0.70 H new ATOM 883 N ASP A 56 20.611 -3.117 -19.826 1.00 0.25 N ATOM 884 CA ASP A 56 20.193 -4.478 -20.235 1.00 0.16 C ATOM 885 C ASP A 56 19.258 -5.069 -19.177 1.00 0.20 C ATOM 886 O ASP A 56 18.143 -5.420 -19.492 1.00 0.25 O ATOM 887 CB ASP A 56 21.587 -5.131 -20.451 1.00 0.27 C ATOM 888 CG ASP A 56 22.233 -4.515 -21.703 1.00 0.52 C ATOM 889 OD1 ASP A 56 22.010 -3.354 -22.029 1.00 1.49 O ATOM 890 OD2 ASP A 56 22.972 -5.242 -22.321 1.00 1.80 O ATOM 0 H ASP A 56 21.575 -2.905 -20.085 1.00 0.25 H new ATOM 0 HA ASP A 56 19.580 -4.599 -21.128 1.00 0.16 H new ATOM 0 HB2 ASP A 56 22.220 -4.966 -19.579 1.00 0.27 H new ATOM 0 HB3 ASP A 56 21.484 -6.210 -20.571 1.00 0.27 H new ATOM 895 N ALA A 57 19.746 -5.140 -17.966 1.00 0.21 N ATOM 896 CA ALA A 57 18.982 -5.672 -16.800 1.00 0.26 C ATOM 897 C ALA A 57 17.524 -5.136 -16.759 1.00 0.34 C ATOM 898 O ALA A 57 16.638 -5.756 -16.217 1.00 0.46 O ATOM 899 CB ALA A 57 19.786 -5.270 -15.567 1.00 0.20 C ATOM 0 H ALA A 57 20.690 -4.835 -17.729 1.00 0.21 H new ATOM 0 HA ALA A 57 18.869 -6.755 -16.859 1.00 0.26 H new ATOM 0 HB1 ALA A 57 19.281 -5.630 -14.670 1.00 0.20 H new ATOM 0 HB2 ALA A 57 20.782 -5.709 -15.623 1.00 0.20 H new ATOM 0 HB3 ALA A 57 19.870 -4.184 -15.525 1.00 0.20 H new ATOM 905 N TRP A 58 17.345 -3.970 -17.315 1.00 0.34 N ATOM 906 CA TRP A 58 16.030 -3.245 -17.421 1.00 0.39 C ATOM 907 C TRP A 58 15.430 -3.480 -18.862 1.00 0.42 C ATOM 908 O TRP A 58 14.249 -3.668 -19.077 1.00 0.52 O ATOM 909 CB TRP A 58 16.318 -1.729 -17.121 1.00 0.37 C ATOM 910 CG TRP A 58 15.038 -0.867 -17.175 1.00 0.38 C ATOM 911 CD1 TRP A 58 13.761 -1.331 -17.238 1.00 0.41 C ATOM 912 CD2 TRP A 58 15.010 0.486 -17.215 1.00 0.39 C ATOM 913 NE1 TRP A 58 13.054 -0.215 -17.319 1.00 0.44 N ATOM 914 CE2 TRP A 58 13.705 0.929 -17.316 1.00 0.42 C ATOM 915 CE3 TRP A 58 16.040 1.412 -17.168 1.00 0.40 C ATOM 916 CZ2 TRP A 58 13.405 2.287 -17.381 1.00 0.46 C ATOM 917 CZ3 TRP A 58 15.762 2.777 -17.230 1.00 0.41 C ATOM 918 CH2 TRP A 58 14.446 3.215 -17.338 1.00 0.44 C ATOM 0 H TRP A 58 18.115 -3.448 -17.733 1.00 0.34 H new ATOM 0 HA TRP A 58 15.290 -3.610 -16.709 1.00 0.39 H new ATOM 0 HB2 TRP A 58 16.774 -1.636 -16.135 1.00 0.37 H new ATOM 0 HB3 TRP A 58 17.040 -1.349 -17.844 1.00 0.37 H new ATOM 0 HD1 TRP A 58 13.412 -2.353 -17.225 1.00 0.41 H new ATOM 0 HE1 TRP A 58 12.036 -0.241 -17.382 1.00 0.44 H new ATOM 0 HE3 TRP A 58 17.063 1.075 -17.083 1.00 0.40 H new ATOM 0 HZ2 TRP A 58 12.380 2.618 -17.464 1.00 0.46 H new ATOM 0 HZ3 TRP A 58 16.569 3.494 -17.194 1.00 0.41 H new ATOM 0 HH2 TRP A 58 14.230 4.272 -17.388 1.00 0.44 H new ATOM 929 N ASN A 59 16.289 -3.489 -19.839 1.00 0.41 N ATOM 930 CA ASN A 59 15.869 -3.699 -21.274 1.00 0.42 C ATOM 931 C ASN A 59 15.109 -5.036 -21.313 1.00 0.50 C ATOM 932 O ASN A 59 14.056 -5.158 -21.910 1.00 0.55 O ATOM 933 CB ASN A 59 17.145 -3.721 -22.143 1.00 0.31 C ATOM 934 CG ASN A 59 16.821 -3.707 -23.643 1.00 0.18 C ATOM 935 OD1 ASN A 59 16.096 -2.849 -24.096 1.00 0.57 O ATOM 936 ND2 ASN A 59 17.308 -4.590 -24.459 1.00 0.22 N ATOM 0 H ASN A 59 17.292 -3.357 -19.712 1.00 0.41 H new ATOM 0 HA ASN A 59 15.222 -2.910 -21.658 1.00 0.42 H new ATOM 0 HB2 ASN A 59 17.765 -2.859 -21.898 1.00 0.31 H new ATOM 0 HB3 ASN A 59 17.729 -4.611 -21.907 1.00 0.31 H new ATOM 0 HD21 ASN A 59 17.077 -4.549 -25.452 1.00 0.22 H new ATOM 0 HD22 ASN A 59 17.922 -5.325 -24.108 1.00 0.22 H new ATOM 943 N GLU A 60 15.713 -5.959 -20.618 1.00 0.51 N ATOM 944 CA GLU A 60 15.230 -7.362 -20.458 1.00 0.70 C ATOM 945 C GLU A 60 13.835 -7.400 -19.800 1.00 0.86 C ATOM 946 O GLU A 60 13.110 -8.365 -19.905 1.00 0.99 O ATOM 947 CB GLU A 60 16.302 -8.105 -19.607 1.00 0.85 C ATOM 948 CG GLU A 60 16.064 -9.652 -19.670 1.00 1.11 C ATOM 949 CD GLU A 60 16.575 -10.275 -20.984 1.00 3.44 C ATOM 950 OE1 GLU A 60 16.110 -9.863 -22.033 1.00 4.69 O ATOM 951 OE2 GLU A 60 17.414 -11.149 -20.857 1.00 4.76 O ATOM 0 H GLU A 60 16.585 -5.781 -20.119 1.00 0.51 H new ATOM 0 HA GLU A 60 15.110 -7.851 -21.424 1.00 0.70 H new ATOM 0 HB2 GLU A 60 17.299 -7.868 -19.977 1.00 0.85 H new ATOM 0 HB3 GLU A 60 16.256 -7.764 -18.573 1.00 0.85 H new ATOM 0 HG2 GLU A 60 16.565 -10.128 -18.827 1.00 1.11 H new ATOM 0 HG3 GLU A 60 14.999 -9.857 -19.565 1.00 1.11 H new ATOM 958 N LEU A 61 13.496 -6.333 -19.134 1.00 0.91 N ATOM 959 CA LEU A 61 12.176 -6.204 -18.439 1.00 1.12 C ATOM 960 C LEU A 61 11.225 -5.285 -19.204 1.00 1.32 C ATOM 961 O LEU A 61 10.068 -5.187 -18.828 1.00 1.86 O ATOM 962 CB LEU A 61 12.303 -5.567 -17.058 1.00 0.88 C ATOM 963 CG LEU A 61 13.328 -6.194 -16.144 1.00 0.70 C ATOM 964 CD1 LEU A 61 13.155 -5.485 -14.802 1.00 0.44 C ATOM 965 CD2 LEU A 61 13.040 -7.672 -15.979 1.00 0.77 C ATOM 0 H LEU A 61 14.097 -5.515 -19.037 1.00 0.91 H new ATOM 0 HA LEU A 61 11.801 -7.225 -18.373 1.00 1.12 H new ATOM 0 HB2 LEU A 61 12.551 -4.513 -17.185 1.00 0.88 H new ATOM 0 HB3 LEU A 61 11.331 -5.609 -16.567 1.00 0.88 H new ATOM 0 HG LEU A 61 14.340 -6.095 -16.537 1.00 0.70 H new ATOM 0 HD11 LEU A 61 13.868 -5.888 -14.083 1.00 0.44 H new ATOM 0 HD12 LEU A 61 13.332 -4.417 -14.929 1.00 0.44 H new ATOM 0 HD13 LEU A 61 12.141 -5.643 -14.435 1.00 0.44 H new ATOM 0 HD21 LEU A 61 13.784 -8.116 -15.318 1.00 0.77 H new ATOM 0 HD22 LEU A 61 12.048 -7.803 -15.548 1.00 0.77 H new ATOM 0 HD23 LEU A 61 13.081 -8.161 -16.952 1.00 0.77 H new ATOM 977 N LYS A 62 11.713 -4.663 -20.250 1.00 1.01 N ATOM 978 CA LYS A 62 10.883 -3.721 -21.065 1.00 1.21 C ATOM 979 C LYS A 62 9.604 -4.512 -21.453 1.00 2.06 C ATOM 980 O LYS A 62 9.694 -5.639 -21.913 1.00 4.28 O ATOM 981 CB LYS A 62 11.784 -3.308 -22.281 1.00 0.84 C ATOM 982 CG LYS A 62 11.408 -1.930 -22.865 1.00 0.82 C ATOM 983 CD LYS A 62 11.664 -1.870 -24.408 1.00 1.33 C ATOM 984 CE LYS A 62 13.064 -2.299 -24.868 1.00 3.77 C ATOM 985 NZ LYS A 62 14.055 -1.239 -24.517 1.00 5.26 N ATOM 0 H LYS A 62 12.672 -4.771 -20.580 1.00 1.01 H new ATOM 0 HA LYS A 62 10.564 -2.807 -20.563 1.00 1.21 H new ATOM 0 HB2 LYS A 62 12.827 -3.291 -21.965 1.00 0.84 H new ATOM 0 HB3 LYS A 62 11.700 -4.063 -23.062 1.00 0.84 H new ATOM 0 HG2 LYS A 62 10.358 -1.722 -22.661 1.00 0.82 H new ATOM 0 HG3 LYS A 62 11.989 -1.153 -22.369 1.00 0.82 H new ATOM 0 HD2 LYS A 62 10.929 -2.503 -24.904 1.00 1.33 H new ATOM 0 HD3 LYS A 62 11.487 -0.849 -24.748 1.00 1.33 H new ATOM 0 HE2 LYS A 62 13.341 -3.241 -24.394 1.00 3.77 H new ATOM 0 HE3 LYS A 62 13.067 -2.471 -25.944 1.00 3.77 H new ATOM 0 HZ1 LYS A 62 14.374 -0.761 -25.384 1.00 5.26 H new ATOM 0 HZ2 LYS A 62 13.611 -0.545 -23.883 1.00 5.26 H new ATOM 0 HZ3 LYS A 62 14.871 -1.671 -24.040 1.00 5.26 H new ATOM 999 N GLY A 63 8.461 -3.901 -21.272 1.00 0.56 N ATOM 1000 CA GLY A 63 7.147 -4.562 -21.589 1.00 1.13 C ATOM 1001 C GLY A 63 6.355 -4.783 -20.293 1.00 0.74 C ATOM 1002 O GLY A 63 5.242 -5.264 -20.325 1.00 0.66 O ATOM 0 H GLY A 63 8.376 -2.951 -20.910 1.00 0.56 H new ATOM 0 HA2 GLY A 63 6.573 -3.941 -22.276 1.00 1.13 H new ATOM 0 HA3 GLY A 63 7.319 -5.515 -22.089 1.00 1.13 H new ATOM 1006 N THR A 64 6.956 -4.431 -19.182 1.00 0.66 N ATOM 1007 CA THR A 64 6.269 -4.603 -17.840 1.00 0.68 C ATOM 1008 C THR A 64 5.600 -3.339 -17.272 1.00 0.49 C ATOM 1009 O THR A 64 5.898 -2.227 -17.669 1.00 0.33 O ATOM 1010 CB THR A 64 7.284 -5.083 -16.798 1.00 1.01 C ATOM 1011 OG1 THR A 64 7.859 -6.227 -17.388 1.00 1.28 O ATOM 1012 CG2 THR A 64 6.634 -5.696 -15.568 1.00 1.34 C ATOM 0 H THR A 64 7.893 -4.031 -19.135 1.00 0.66 H new ATOM 0 HA THR A 64 5.477 -5.326 -18.032 1.00 0.68 H new ATOM 0 HB THR A 64 7.921 -4.241 -16.527 1.00 1.01 H new ATOM 0 HG1 THR A 64 8.651 -5.966 -17.903 1.00 1.28 H new ATOM 0 HG21 THR A 64 7.407 -6.016 -14.869 1.00 1.34 H new ATOM 0 HG22 THR A 64 5.994 -4.956 -15.088 1.00 1.34 H new ATOM 0 HG23 THR A 64 6.034 -6.557 -15.864 1.00 1.34 H new ATOM 1020 N SER A 65 4.704 -3.552 -16.333 1.00 0.87 N ATOM 1021 CA SER A 65 4.000 -2.389 -15.698 1.00 1.08 C ATOM 1022 C SER A 65 4.663 -2.042 -14.368 1.00 0.86 C ATOM 1023 O SER A 65 5.277 -2.859 -13.705 1.00 0.80 O ATOM 1024 CB SER A 65 2.521 -2.689 -15.418 1.00 1.70 C ATOM 1025 OG SER A 65 2.053 -1.371 -15.111 1.00 3.96 O ATOM 0 H SER A 65 4.432 -4.471 -15.982 1.00 0.87 H new ATOM 0 HA SER A 65 4.067 -1.560 -16.402 1.00 1.08 H new ATOM 0 HB2 SER A 65 2.013 -3.121 -16.280 1.00 1.70 H new ATOM 0 HB3 SER A 65 2.386 -3.383 -14.588 1.00 1.70 H new ATOM 0 HG SER A 65 1.764 -1.336 -14.175 1.00 3.96 H new ATOM 1031 N LYS A 66 4.492 -0.801 -14.018 1.00 0.83 N ATOM 1032 CA LYS A 66 5.071 -0.284 -12.752 1.00 0.68 C ATOM 1033 C LYS A 66 4.855 -1.184 -11.557 1.00 0.46 C ATOM 1034 O LYS A 66 5.784 -1.589 -10.905 1.00 0.30 O ATOM 1035 CB LYS A 66 4.486 1.113 -12.531 1.00 0.79 C ATOM 1036 CG LYS A 66 5.161 2.041 -13.564 1.00 0.99 C ATOM 1037 CD LYS A 66 4.153 2.446 -14.653 1.00 1.01 C ATOM 1038 CE LYS A 66 3.357 3.631 -14.161 1.00 2.62 C ATOM 1039 NZ LYS A 66 2.578 4.116 -15.336 1.00 3.52 N ATOM 0 H LYS A 66 3.969 -0.115 -14.562 1.00 0.83 H new ATOM 0 HA LYS A 66 6.156 -0.247 -12.850 1.00 0.68 H new ATOM 0 HB2 LYS A 66 3.404 1.106 -12.665 1.00 0.79 H new ATOM 0 HB3 LYS A 66 4.679 1.458 -11.515 1.00 0.79 H new ATOM 0 HG2 LYS A 66 5.547 2.931 -13.067 1.00 0.99 H new ATOM 0 HG3 LYS A 66 6.013 1.534 -14.017 1.00 0.99 H new ATOM 0 HD2 LYS A 66 4.675 2.699 -15.576 1.00 1.01 H new ATOM 0 HD3 LYS A 66 3.488 1.613 -14.881 1.00 1.01 H new ATOM 0 HE2 LYS A 66 2.694 3.345 -13.344 1.00 2.62 H new ATOM 0 HE3 LYS A 66 4.015 4.412 -13.779 1.00 2.62 H new ATOM 0 HZ1 LYS A 66 2.005 4.938 -15.057 1.00 3.52 H new ATOM 0 HZ2 LYS A 66 3.232 4.391 -16.096 1.00 3.52 H new ATOM 0 HZ3 LYS A 66 1.953 3.357 -15.675 1.00 3.52 H new ATOM 1053 N GLU A 67 3.626 -1.468 -11.321 1.00 0.51 N ATOM 1054 CA GLU A 67 3.159 -2.326 -10.215 1.00 0.37 C ATOM 1055 C GLU A 67 3.952 -3.645 -10.041 1.00 0.26 C ATOM 1056 O GLU A 67 4.456 -3.932 -8.967 1.00 0.19 O ATOM 1057 CB GLU A 67 1.671 -2.538 -10.521 1.00 0.43 C ATOM 1058 CG GLU A 67 0.817 -1.185 -10.423 1.00 0.49 C ATOM 1059 CD GLU A 67 1.192 -0.158 -11.502 1.00 3.04 C ATOM 1060 OE1 GLU A 67 1.087 -0.545 -12.654 1.00 3.90 O ATOM 1061 OE2 GLU A 67 1.575 0.943 -11.133 1.00 4.91 O ATOM 0 H GLU A 67 2.863 -1.111 -11.897 1.00 0.51 H new ATOM 0 HA GLU A 67 3.323 -1.853 -9.247 1.00 0.37 H new ATOM 0 HB2 GLU A 67 1.567 -2.956 -11.522 1.00 0.43 H new ATOM 0 HB3 GLU A 67 1.263 -3.271 -9.825 1.00 0.43 H new ATOM 0 HG2 GLU A 67 -0.243 -1.424 -10.510 1.00 0.49 H new ATOM 0 HG3 GLU A 67 0.964 -0.740 -9.439 1.00 0.49 H new ATOM 1068 N ASP A 68 4.077 -4.424 -11.087 1.00 0.40 N ATOM 1069 CA ASP A 68 4.835 -5.707 -10.962 1.00 0.51 C ATOM 1070 C ASP A 68 6.285 -5.456 -10.615 1.00 0.50 C ATOM 1071 O ASP A 68 6.889 -6.117 -9.787 1.00 0.55 O ATOM 1072 CB ASP A 68 4.656 -6.402 -12.292 1.00 0.76 C ATOM 1073 CG ASP A 68 3.265 -6.987 -12.303 1.00 0.95 C ATOM 1074 OD1 ASP A 68 2.362 -6.186 -12.455 1.00 3.05 O ATOM 1075 OD2 ASP A 68 3.198 -8.188 -12.150 1.00 1.09 O ATOM 0 H ASP A 68 3.692 -4.230 -12.012 1.00 0.40 H new ATOM 0 HA ASP A 68 4.465 -6.332 -10.149 1.00 0.51 H new ATOM 0 HB2 ASP A 68 4.785 -5.699 -13.115 1.00 0.76 H new ATOM 0 HB3 ASP A 68 5.404 -7.184 -12.422 1.00 0.76 H new ATOM 1080 N ALA A 69 6.774 -4.461 -11.285 1.00 0.46 N ATOM 1081 CA ALA A 69 8.178 -4.061 -11.074 1.00 0.41 C ATOM 1082 C ALA A 69 8.233 -3.590 -9.604 1.00 0.41 C ATOM 1083 O ALA A 69 9.171 -3.960 -8.948 1.00 0.41 O ATOM 1084 CB ALA A 69 8.502 -2.953 -12.072 1.00 0.39 C ATOM 0 H ALA A 69 6.260 -3.908 -11.970 1.00 0.46 H new ATOM 0 HA ALA A 69 8.911 -4.852 -11.235 1.00 0.41 H new ATOM 0 HB1 ALA A 69 9.536 -2.635 -11.940 1.00 0.39 H new ATOM 0 HB2 ALA A 69 8.363 -3.326 -13.087 1.00 0.39 H new ATOM 0 HB3 ALA A 69 7.838 -2.105 -11.903 1.00 0.39 H new ATOM 1090 N MET A 70 7.282 -2.826 -9.117 1.00 0.40 N ATOM 1091 CA MET A 70 7.330 -2.380 -7.693 1.00 0.35 C ATOM 1092 C MET A 70 7.407 -3.643 -6.849 1.00 0.37 C ATOM 1093 O MET A 70 8.309 -3.726 -6.046 1.00 0.34 O ATOM 1094 CB MET A 70 6.041 -1.548 -7.288 1.00 0.32 C ATOM 1095 CG MET A 70 6.002 -0.159 -7.959 1.00 0.37 C ATOM 1096 SD MET A 70 4.830 1.055 -7.301 1.00 1.12 S ATOM 1097 CE MET A 70 4.842 2.202 -8.703 1.00 0.75 C ATOM 0 H MET A 70 6.476 -2.494 -9.647 1.00 0.40 H new ATOM 0 HA MET A 70 8.188 -1.726 -7.538 1.00 0.35 H new ATOM 0 HB2 MET A 70 5.148 -2.108 -7.566 1.00 0.32 H new ATOM 0 HB3 MET A 70 6.016 -1.426 -6.205 1.00 0.32 H new ATOM 0 HG2 MET A 70 7.002 0.272 -7.899 1.00 0.37 H new ATOM 0 HG3 MET A 70 5.780 -0.302 -9.016 1.00 0.37 H new ATOM 0 HE1 MET A 70 5.164 3.187 -8.365 1.00 0.75 H new ATOM 0 HE2 MET A 70 5.530 1.837 -9.466 1.00 0.75 H new ATOM 0 HE3 MET A 70 3.839 2.273 -9.124 1.00 0.75 H new ATOM 1107 N LYS A 71 6.504 -4.570 -7.031 1.00 0.42 N ATOM 1108 CA LYS A 71 6.560 -5.824 -6.225 1.00 0.44 C ATOM 1109 C LYS A 71 8.007 -6.375 -6.232 1.00 0.52 C ATOM 1110 O LYS A 71 8.660 -6.414 -5.213 1.00 0.58 O ATOM 1111 CB LYS A 71 5.560 -6.852 -6.832 1.00 0.50 C ATOM 1112 CG LYS A 71 4.134 -6.230 -6.758 1.00 0.83 C ATOM 1113 CD LYS A 71 2.994 -7.229 -7.109 1.00 1.76 C ATOM 1114 CE LYS A 71 2.697 -8.138 -5.921 1.00 3.07 C ATOM 1115 NZ LYS A 71 3.769 -9.171 -5.849 1.00 5.75 N ATOM 0 H LYS A 71 5.735 -4.514 -7.699 1.00 0.42 H new ATOM 0 HA LYS A 71 6.278 -5.630 -5.190 1.00 0.44 H new ATOM 0 HB2 LYS A 71 5.825 -7.078 -7.865 1.00 0.50 H new ATOM 0 HB3 LYS A 71 5.596 -7.791 -6.280 1.00 0.50 H new ATOM 0 HG2 LYS A 71 3.968 -5.843 -5.753 1.00 0.83 H new ATOM 0 HG3 LYS A 71 4.083 -5.381 -7.439 1.00 0.83 H new ATOM 0 HD2 LYS A 71 2.095 -6.680 -7.389 1.00 1.76 H new ATOM 0 HD3 LYS A 71 3.282 -7.830 -7.972 1.00 1.76 H new ATOM 0 HE2 LYS A 71 2.664 -7.559 -4.998 1.00 3.07 H new ATOM 0 HE3 LYS A 71 1.721 -8.610 -6.037 1.00 3.07 H new ATOM 0 HZ1 LYS A 71 3.354 -10.083 -5.569 1.00 5.75 H new ATOM 0 HZ2 LYS A 71 4.221 -9.268 -6.781 1.00 5.75 H new ATOM 0 HZ3 LYS A 71 4.481 -8.884 -5.147 1.00 5.75 H new ATOM 1129 N ALA A 72 8.499 -6.780 -7.373 1.00 0.52 N ATOM 1130 CA ALA A 72 9.899 -7.319 -7.421 1.00 0.61 C ATOM 1131 C ALA A 72 10.928 -6.299 -6.833 1.00 0.45 C ATOM 1132 O ALA A 72 11.809 -6.651 -6.078 1.00 0.35 O ATOM 1133 CB ALA A 72 10.127 -7.653 -8.898 1.00 0.79 C ATOM 0 H ALA A 72 8.004 -6.764 -8.265 1.00 0.52 H new ATOM 0 HA ALA A 72 10.039 -8.204 -6.800 1.00 0.61 H new ATOM 0 HB1 ALA A 72 11.131 -8.056 -9.029 1.00 0.79 H new ATOM 0 HB2 ALA A 72 9.394 -8.393 -9.221 1.00 0.79 H new ATOM 0 HB3 ALA A 72 10.018 -6.749 -9.497 1.00 0.79 H new ATOM 1139 N TYR A 73 10.805 -5.047 -7.177 1.00 0.49 N ATOM 1140 CA TYR A 73 11.732 -4.014 -6.662 1.00 0.40 C ATOM 1141 C TYR A 73 11.834 -4.139 -5.146 1.00 0.36 C ATOM 1142 O TYR A 73 12.885 -4.336 -4.570 1.00 0.38 O ATOM 1143 CB TYR A 73 11.185 -2.622 -7.031 1.00 0.38 C ATOM 1144 CG TYR A 73 12.133 -1.658 -6.355 1.00 0.20 C ATOM 1145 CD1 TYR A 73 13.432 -1.613 -6.794 1.00 2.47 C ATOM 1146 CD2 TYR A 73 11.722 -0.858 -5.305 1.00 2.29 C ATOM 1147 CE1 TYR A 73 14.316 -0.782 -6.192 1.00 2.49 C ATOM 1148 CE2 TYR A 73 12.628 -0.021 -4.705 1.00 2.25 C ATOM 1149 CZ TYR A 73 13.919 0.004 -5.158 1.00 0.31 C ATOM 1150 OH TYR A 73 14.849 0.814 -4.584 1.00 0.59 O ATOM 0 H TYR A 73 10.084 -4.694 -7.807 1.00 0.49 H new ATOM 0 HA TYR A 73 12.720 -4.148 -7.102 1.00 0.40 H new ATOM 0 HB2 TYR A 73 11.170 -2.474 -8.111 1.00 0.38 H new ATOM 0 HB3 TYR A 73 10.163 -2.489 -6.677 1.00 0.38 H new ATOM 0 HD1 TYR A 73 13.748 -2.238 -7.616 1.00 2.47 H new ATOM 0 HD2 TYR A 73 10.699 -0.892 -4.961 1.00 2.29 H new ATOM 0 HE1 TYR A 73 15.339 -0.744 -6.535 1.00 2.49 H new ATOM 0 HE2 TYR A 73 12.326 0.612 -3.884 1.00 2.25 H new ATOM 0 HH TYR A 73 14.969 1.616 -5.135 1.00 0.59 H new ATOM 1160 N ILE A 74 10.675 -4.020 -4.578 1.00 0.34 N ATOM 1161 CA ILE A 74 10.477 -4.093 -3.107 1.00 0.34 C ATOM 1162 C ILE A 74 10.938 -5.454 -2.563 1.00 0.40 C ATOM 1163 O ILE A 74 11.590 -5.491 -1.541 1.00 0.37 O ATOM 1164 CB ILE A 74 8.981 -3.838 -2.838 1.00 0.43 C ATOM 1165 CG1 ILE A 74 8.593 -2.442 -3.381 1.00 0.52 C ATOM 1166 CG2 ILE A 74 8.790 -3.795 -1.307 1.00 0.47 C ATOM 1167 CD1 ILE A 74 7.061 -2.337 -3.476 1.00 0.84 C ATOM 0 H ILE A 74 9.812 -3.867 -5.100 1.00 0.34 H new ATOM 0 HA ILE A 74 11.077 -3.343 -2.592 1.00 0.34 H new ATOM 0 HB ILE A 74 8.377 -4.613 -3.311 1.00 0.43 H new ATOM 0 HG12 ILE A 74 8.982 -1.664 -2.724 1.00 0.52 H new ATOM 0 HG13 ILE A 74 9.041 -2.284 -4.362 1.00 0.52 H new ATOM 0 HG21 ILE A 74 7.740 -3.616 -1.076 1.00 0.47 H new ATOM 0 HG22 ILE A 74 9.099 -4.747 -0.875 1.00 0.47 H new ATOM 0 HG23 ILE A 74 9.396 -2.992 -0.887 1.00 0.47 H new ATOM 0 HD11 ILE A 74 6.787 -1.354 -3.858 1.00 0.84 H new ATOM 0 HD12 ILE A 74 6.685 -3.106 -4.150 1.00 0.84 H new ATOM 0 HD13 ILE A 74 6.625 -2.476 -2.487 1.00 0.84 H new ATOM 1179 N ASP A 75 10.619 -6.522 -3.244 1.00 0.58 N ATOM 1180 CA ASP A 75 11.038 -7.883 -2.780 1.00 0.65 C ATOM 1181 C ASP A 75 12.573 -8.013 -2.825 1.00 0.61 C ATOM 1182 O ASP A 75 13.171 -8.805 -2.118 1.00 0.80 O ATOM 1183 CB ASP A 75 10.292 -8.831 -3.711 1.00 0.73 C ATOM 1184 CG ASP A 75 8.896 -9.110 -3.152 1.00 0.74 C ATOM 1185 OD1 ASP A 75 8.250 -8.122 -2.851 1.00 0.63 O ATOM 1186 OD2 ASP A 75 8.527 -10.270 -3.054 1.00 0.88 O ATOM 0 H ASP A 75 10.081 -6.513 -4.111 1.00 0.58 H new ATOM 0 HA ASP A 75 10.790 -8.104 -1.742 1.00 0.65 H new ATOM 0 HB2 ASP A 75 10.215 -8.393 -4.706 1.00 0.73 H new ATOM 0 HB3 ASP A 75 10.846 -9.764 -3.815 1.00 0.73 H new ATOM 1191 N LYS A 76 13.185 -7.199 -3.649 1.00 0.41 N ATOM 1192 CA LYS A 76 14.667 -7.243 -3.760 1.00 0.41 C ATOM 1193 C LYS A 76 15.090 -6.353 -2.599 1.00 0.35 C ATOM 1194 O LYS A 76 15.931 -6.771 -1.826 1.00 0.26 O ATOM 1195 CB LYS A 76 15.081 -6.694 -5.126 1.00 0.41 C ATOM 1196 CG LYS A 76 16.550 -7.174 -5.452 1.00 0.51 C ATOM 1197 CD LYS A 76 16.531 -8.749 -5.533 1.00 0.60 C ATOM 1198 CE LYS A 76 17.808 -9.415 -6.043 1.00 1.82 C ATOM 1199 NZ LYS A 76 17.579 -10.902 -5.969 1.00 1.11 N ATOM 0 H LYS A 76 12.722 -6.512 -4.244 1.00 0.41 H new ATOM 0 HA LYS A 76 15.122 -8.232 -3.703 1.00 0.41 H new ATOM 0 HB2 LYS A 76 14.392 -7.042 -5.896 1.00 0.41 H new ATOM 0 HB3 LYS A 76 15.033 -5.605 -5.124 1.00 0.41 H new ATOM 0 HG2 LYS A 76 16.892 -6.746 -6.394 1.00 0.51 H new ATOM 0 HG3 LYS A 76 17.242 -6.839 -4.680 1.00 0.51 H new ATOM 0 HD2 LYS A 76 16.314 -9.140 -4.539 1.00 0.60 H new ATOM 0 HD3 LYS A 76 15.707 -9.049 -6.180 1.00 0.60 H new ATOM 0 HE2 LYS A 76 18.023 -9.107 -7.066 1.00 1.82 H new ATOM 0 HE3 LYS A 76 18.665 -9.125 -5.436 1.00 1.82 H new ATOM 0 HZ1 LYS A 76 18.152 -11.378 -6.695 1.00 1.11 H new ATOM 0 HZ2 LYS A 76 17.854 -11.249 -5.028 1.00 1.11 H new ATOM 0 HZ3 LYS A 76 16.573 -11.107 -6.133 1.00 1.11 H new ATOM 1213 N VAL A 77 14.540 -5.159 -2.477 1.00 0.39 N ATOM 1214 CA VAL A 77 14.914 -4.271 -1.320 1.00 0.35 C ATOM 1215 C VAL A 77 14.879 -5.218 -0.091 1.00 0.40 C ATOM 1216 O VAL A 77 15.756 -5.194 0.757 1.00 0.32 O ATOM 1217 CB VAL A 77 13.873 -3.132 -1.245 1.00 0.43 C ATOM 1218 CG1 VAL A 77 14.161 -2.297 0.003 1.00 0.49 C ATOM 1219 CG2 VAL A 77 14.044 -2.204 -2.492 1.00 0.35 C ATOM 0 H VAL A 77 13.855 -4.765 -3.122 1.00 0.39 H new ATOM 0 HA VAL A 77 15.891 -3.793 -1.394 1.00 0.35 H new ATOM 0 HB VAL A 77 12.866 -3.549 -1.214 1.00 0.43 H new ATOM 0 HG11 VAL A 77 13.436 -1.486 0.074 1.00 0.49 H new ATOM 0 HG12 VAL A 77 14.087 -2.929 0.888 1.00 0.49 H new ATOM 0 HG13 VAL A 77 15.166 -1.880 -0.062 1.00 0.49 H new ATOM 0 HG21 VAL A 77 13.313 -1.397 -2.448 1.00 0.35 H new ATOM 0 HG22 VAL A 77 15.049 -1.783 -2.497 1.00 0.35 H new ATOM 0 HG23 VAL A 77 13.889 -2.784 -3.401 1.00 0.35 H new ATOM 1229 N GLU A 78 13.845 -6.027 -0.014 1.00 0.67 N ATOM 1230 CA GLU A 78 13.709 -7.006 1.090 1.00 0.77 C ATOM 1231 C GLU A 78 14.930 -7.957 1.040 1.00 0.72 C ATOM 1232 O GLU A 78 15.681 -7.962 2.002 1.00 0.70 O ATOM 1233 CB GLU A 78 12.344 -7.740 0.882 1.00 0.95 C ATOM 1234 CG GLU A 78 11.236 -7.014 1.734 1.00 1.08 C ATOM 1235 CD GLU A 78 11.691 -6.915 3.186 1.00 2.46 C ATOM 1236 OE1 GLU A 78 11.695 -7.949 3.833 1.00 4.69 O ATOM 1237 OE2 GLU A 78 12.039 -5.801 3.555 1.00 1.69 O ATOM 0 H GLU A 78 13.080 -6.042 -0.689 1.00 0.67 H new ATOM 0 HA GLU A 78 13.701 -6.547 2.079 1.00 0.77 H new ATOM 0 HB2 GLU A 78 12.071 -7.735 -0.173 1.00 0.95 H new ATOM 0 HB3 GLU A 78 12.428 -8.784 1.185 1.00 0.95 H new ATOM 0 HG2 GLU A 78 11.048 -6.018 1.332 1.00 1.08 H new ATOM 0 HG3 GLU A 78 10.297 -7.564 1.673 1.00 1.08 H new ATOM 1244 N GLU A 79 15.124 -8.727 -0.017 1.00 0.71 N ATOM 1245 CA GLU A 79 16.326 -9.656 -0.093 1.00 0.73 C ATOM 1246 C GLU A 79 17.595 -8.956 0.467 1.00 0.52 C ATOM 1247 O GLU A 79 18.397 -9.516 1.193 1.00 0.68 O ATOM 1248 CB GLU A 79 16.622 -10.069 -1.577 1.00 0.80 C ATOM 1249 CG GLU A 79 15.602 -11.119 -2.148 1.00 1.17 C ATOM 1250 CD GLU A 79 15.950 -11.465 -3.601 1.00 3.67 C ATOM 1251 OE1 GLU A 79 17.036 -11.992 -3.782 1.00 4.50 O ATOM 1252 OE2 GLU A 79 15.172 -11.205 -4.506 1.00 4.81 O ATOM 0 H GLU A 79 14.508 -8.756 -0.829 1.00 0.71 H new ATOM 0 HA GLU A 79 16.088 -10.539 0.500 1.00 0.73 H new ATOM 0 HB2 GLU A 79 16.604 -9.178 -2.205 1.00 0.80 H new ATOM 0 HB3 GLU A 79 17.629 -10.482 -1.637 1.00 0.80 H new ATOM 0 HG2 GLU A 79 15.620 -12.022 -1.538 1.00 1.17 H new ATOM 0 HG3 GLU A 79 14.590 -10.718 -2.095 1.00 1.17 H new ATOM 1259 N LEU A 80 17.725 -7.709 0.094 1.00 0.19 N ATOM 1260 CA LEU A 80 18.864 -6.827 0.502 1.00 0.16 C ATOM 1261 C LEU A 80 18.914 -6.548 1.989 1.00 0.27 C ATOM 1262 O LEU A 80 19.943 -6.784 2.591 1.00 0.32 O ATOM 1263 CB LEU A 80 18.745 -5.513 -0.286 1.00 0.11 C ATOM 1264 CG LEU A 80 19.060 -5.776 -1.751 1.00 0.11 C ATOM 1265 CD1 LEU A 80 18.805 -4.520 -2.558 1.00 0.25 C ATOM 1266 CD2 LEU A 80 20.547 -6.104 -1.858 1.00 0.24 C ATOM 0 H LEU A 80 17.050 -7.241 -0.511 1.00 0.19 H new ATOM 0 HA LEU A 80 19.794 -7.347 0.274 1.00 0.16 H new ATOM 0 HB2 LEU A 80 17.739 -5.105 -0.186 1.00 0.11 H new ATOM 0 HB3 LEU A 80 19.432 -4.770 0.118 1.00 0.11 H new ATOM 0 HG LEU A 80 18.440 -6.591 -2.124 1.00 0.11 H new ATOM 0 HD11 LEU A 80 19.031 -4.710 -3.607 1.00 0.25 H new ATOM 0 HD12 LEU A 80 17.759 -4.230 -2.459 1.00 0.25 H new ATOM 0 HD13 LEU A 80 19.441 -3.715 -2.189 1.00 0.25 H new ATOM 0 HD21 LEU A 80 20.803 -6.298 -2.900 1.00 0.24 H new ATOM 0 HD22 LEU A 80 21.133 -5.261 -1.491 1.00 0.24 H new ATOM 0 HD23 LEU A 80 20.769 -6.988 -1.260 1.00 0.24 H new ATOM 1278 N LYS A 81 17.848 -6.037 2.549 1.00 0.29 N ATOM 1279 CA LYS A 81 17.813 -5.747 4.024 1.00 0.40 C ATOM 1280 C LYS A 81 18.508 -6.885 4.802 1.00 0.41 C ATOM 1281 O LYS A 81 19.348 -6.621 5.637 1.00 0.70 O ATOM 1282 CB LYS A 81 16.271 -5.534 4.350 1.00 0.55 C ATOM 1283 CG LYS A 81 15.996 -5.417 5.886 1.00 0.93 C ATOM 1284 CD LYS A 81 15.179 -4.116 6.326 1.00 1.34 C ATOM 1285 CE LYS A 81 13.682 -4.053 6.022 1.00 2.91 C ATOM 1286 NZ LYS A 81 13.442 -3.572 4.631 1.00 5.69 N ATOM 0 H LYS A 81 16.991 -5.805 2.048 1.00 0.29 H new ATOM 0 HA LYS A 81 18.367 -4.859 4.328 1.00 0.40 H new ATOM 0 HB2 LYS A 81 15.918 -4.631 3.851 1.00 0.55 H new ATOM 0 HB3 LYS A 81 15.698 -6.368 3.944 1.00 0.55 H new ATOM 0 HG2 LYS A 81 15.446 -6.300 6.210 1.00 0.93 H new ATOM 0 HG3 LYS A 81 16.950 -5.424 6.413 1.00 0.93 H new ATOM 0 HD2 LYS A 81 15.303 -3.996 7.402 1.00 1.34 H new ATOM 0 HD3 LYS A 81 15.649 -3.254 5.852 1.00 1.34 H new ATOM 0 HE2 LYS A 81 13.239 -5.040 6.151 1.00 2.91 H new ATOM 0 HE3 LYS A 81 13.190 -3.387 6.731 1.00 2.91 H new ATOM 0 HZ1 LYS A 81 12.968 -2.647 4.661 1.00 5.69 H new ATOM 0 HZ2 LYS A 81 14.351 -3.480 4.134 1.00 5.69 H new ATOM 0 HZ3 LYS A 81 12.839 -4.254 4.127 1.00 5.69 H new ATOM 1300 N LYS A 82 18.159 -8.107 4.504 1.00 0.21 N ATOM 1301 CA LYS A 82 18.778 -9.275 5.199 1.00 0.40 C ATOM 1302 C LYS A 82 20.301 -9.414 5.018 1.00 0.47 C ATOM 1303 O LYS A 82 21.025 -9.809 5.907 1.00 0.40 O ATOM 1304 CB LYS A 82 18.082 -10.535 4.690 1.00 0.42 C ATOM 1305 CG LYS A 82 16.596 -10.465 5.043 1.00 0.57 C ATOM 1306 CD LYS A 82 15.896 -11.644 4.345 1.00 0.67 C ATOM 1307 CE LYS A 82 14.420 -11.560 4.664 1.00 1.13 C ATOM 1308 NZ LYS A 82 13.734 -12.771 4.104 1.00 1.68 N ATOM 0 H LYS A 82 17.462 -8.350 3.800 1.00 0.21 H new ATOM 0 HA LYS A 82 18.639 -9.119 6.269 1.00 0.40 H new ATOM 0 HB2 LYS A 82 18.208 -10.624 3.611 1.00 0.42 H new ATOM 0 HB3 LYS A 82 18.533 -11.420 5.138 1.00 0.42 H new ATOM 0 HG2 LYS A 82 16.456 -10.521 6.122 1.00 0.57 H new ATOM 0 HG3 LYS A 82 16.169 -9.517 4.715 1.00 0.57 H new ATOM 0 HD2 LYS A 82 16.057 -11.600 3.268 1.00 0.67 H new ATOM 0 HD3 LYS A 82 16.308 -12.592 4.691 1.00 0.67 H new ATOM 0 HE2 LYS A 82 14.270 -11.506 5.742 1.00 1.13 H new ATOM 0 HE3 LYS A 82 13.993 -10.653 4.237 1.00 1.13 H new ATOM 0 HZ1 LYS A 82 12.717 -12.724 4.318 1.00 1.68 H new ATOM 0 HZ2 LYS A 82 13.870 -12.802 3.073 1.00 1.68 H new ATOM 0 HZ3 LYS A 82 14.138 -13.628 4.532 1.00 1.68 H new ATOM 1322 N LYS A 83 20.713 -9.086 3.831 1.00 0.63 N ATOM 1323 CA LYS A 83 22.155 -9.136 3.404 1.00 0.75 C ATOM 1324 C LYS A 83 22.999 -8.012 4.011 1.00 0.91 C ATOM 1325 O LYS A 83 24.086 -8.239 4.506 1.00 1.17 O ATOM 1326 CB LYS A 83 22.222 -9.026 1.868 1.00 0.63 C ATOM 1327 CG LYS A 83 21.612 -10.256 1.213 1.00 0.67 C ATOM 1328 CD LYS A 83 21.140 -9.853 -0.211 1.00 0.60 C ATOM 1329 CE LYS A 83 20.621 -11.064 -0.922 1.00 0.61 C ATOM 1330 NZ LYS A 83 21.799 -11.759 -1.493 1.00 1.00 N ATOM 0 H LYS A 83 20.083 -8.768 3.095 1.00 0.63 H new ATOM 0 HA LYS A 83 22.565 -10.081 3.760 1.00 0.75 H new ATOM 0 HB2 LYS A 83 21.692 -8.132 1.539 1.00 0.63 H new ATOM 0 HB3 LYS A 83 23.259 -8.916 1.551 1.00 0.63 H new ATOM 0 HG2 LYS A 83 22.344 -11.062 1.159 1.00 0.67 H new ATOM 0 HG3 LYS A 83 20.773 -10.626 1.803 1.00 0.67 H new ATOM 0 HD2 LYS A 83 20.361 -9.093 -0.147 1.00 0.60 H new ATOM 0 HD3 LYS A 83 21.967 -9.415 -0.770 1.00 0.60 H new ATOM 0 HE2 LYS A 83 20.083 -11.716 -0.234 1.00 0.61 H new ATOM 0 HE3 LYS A 83 19.920 -10.781 -1.707 1.00 0.61 H new ATOM 0 HZ1 LYS A 83 21.480 -12.499 -2.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 22.392 -11.074 -2.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 22.352 -12.192 -0.726 1.00 1.00 H new ATOM 1344 N TYR A 84 22.476 -6.820 3.947 1.00 0.83 N ATOM 1345 CA TYR A 84 23.231 -5.659 4.507 1.00 1.07 C ATOM 1346 C TYR A 84 22.922 -5.246 5.947 1.00 1.37 C ATOM 1347 O TYR A 84 23.775 -4.593 6.520 1.00 2.74 O ATOM 1348 CB TYR A 84 23.014 -4.534 3.441 1.00 0.98 C ATOM 1349 CG TYR A 84 23.607 -5.175 2.166 1.00 0.83 C ATOM 1350 CD1 TYR A 84 24.967 -5.417 2.103 1.00 0.89 C ATOM 1351 CD2 TYR A 84 22.817 -5.576 1.100 1.00 0.66 C ATOM 1352 CE1 TYR A 84 25.518 -6.049 1.013 1.00 0.82 C ATOM 1353 CE2 TYR A 84 23.380 -6.207 0.017 1.00 0.56 C ATOM 1354 CZ TYR A 84 24.724 -6.443 -0.027 1.00 0.66 C ATOM 1355 OH TYR A 84 25.276 -7.079 -1.111 1.00 0.67 O ATOM 0 H TYR A 84 21.569 -6.598 3.537 1.00 0.83 H new ATOM 0 HA TYR A 84 24.279 -5.921 4.649 1.00 1.07 H new ATOM 0 HB2 TYR A 84 21.960 -4.286 3.320 1.00 0.98 H new ATOM 0 HB3 TYR A 84 23.529 -3.612 3.711 1.00 0.98 H new ATOM 0 HD1 TYR A 84 25.603 -5.106 2.919 1.00 0.89 H new ATOM 0 HD2 TYR A 84 21.753 -5.391 1.121 1.00 0.66 H new ATOM 0 HE1 TYR A 84 26.581 -6.234 0.979 1.00 0.82 H new ATOM 0 HE2 TYR A 84 22.754 -6.519 -0.806 1.00 0.56 H new ATOM 0 HH TYR A 84 24.563 -7.453 -1.669 1.00 0.67 H new ATOM 1365 N GLY A 85 21.789 -5.568 6.528 1.00 0.56 N ATOM 1366 CA GLY A 85 21.602 -5.132 7.971 1.00 0.84 C ATOM 1367 C GLY A 85 20.872 -3.857 8.312 1.00 0.70 C ATOM 1368 O GLY A 85 21.252 -3.157 9.230 1.00 1.30 O ATOM 0 H GLY A 85 21.018 -6.084 6.104 1.00 0.56 H new ATOM 0 HA2 GLY A 85 21.084 -5.942 8.484 1.00 0.84 H new ATOM 0 HA3 GLY A 85 22.596 -5.058 8.413 1.00 0.84 H new ATOM 1372 N ILE A 86 19.857 -3.573 7.565 1.00 0.30 N ATOM 1373 CA ILE A 86 19.034 -2.349 7.801 1.00 0.90 C ATOM 1374 C ILE A 86 17.628 -2.772 8.297 1.00 1.65 C ATOM 1375 O ILE A 86 17.367 -3.962 8.266 1.00 1.64 O ATOM 1376 CB ILE A 86 19.027 -1.568 6.433 1.00 0.39 C ATOM 1377 CG1 ILE A 86 18.013 -0.396 6.450 1.00 1.02 C ATOM 1378 CG2 ILE A 86 18.716 -2.531 5.259 1.00 0.78 C ATOM 1379 CD1 ILE A 86 18.299 0.588 5.280 1.00 0.35 C ATOM 1380 OXT ILE A 86 16.888 -1.888 8.691 1.00 2.41 O ATOM 0 H ILE A 86 19.548 -4.146 6.779 1.00 0.30 H new ATOM 0 HA ILE A 86 19.430 -1.694 8.577 1.00 0.90 H new ATOM 0 HB ILE A 86 20.022 -1.146 6.290 1.00 0.39 H new ATOM 0 HG12 ILE A 86 16.998 -0.784 6.367 1.00 1.02 H new ATOM 0 HG13 ILE A 86 18.075 0.133 7.401 1.00 1.02 H new ATOM 0 HG21 ILE A 86 18.715 -1.974 4.322 1.00 0.78 H new ATOM 0 HG22 ILE A 86 19.476 -3.311 5.217 1.00 0.78 H new ATOM 0 HG23 ILE A 86 17.737 -2.986 5.411 1.00 0.78 H new ATOM 0 HD11 ILE A 86 17.578 1.405 5.307 1.00 0.35 H new ATOM 0 HD12 ILE A 86 19.307 0.990 5.381 1.00 0.35 H new ATOM 0 HD13 ILE A 86 18.213 0.059 4.331 1.00 0.35 H new