USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= -2.22 X(o=-2.2,f=-2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2 USER MOD Single : A 12 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.18) USER MOD Single : A 23 THR OG1 : rot -100:sc= -0.875 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -178:sc= -1.13 USER MOD Single : A 31 GLN : amide:sc= -0.872 X(o=-0.87,f=-1.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.054 (180deg=-1.01) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= -0.0129 (180deg=-0.0499) USER MOD Single : A 51 THR OG1 : rot 131:sc= -2.54 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-0.95) USER MOD Single : A 88 TYR OH : rot 173:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.830 13.022 -3.349 1.00 0.40 N ATOM 33 CA VAL A 3 77.814 11.946 -3.211 1.00 0.33 C ATOM 34 C VAL A 3 76.784 12.064 -4.345 1.00 0.31 C ATOM 35 O VAL A 3 76.309 13.145 -4.646 1.00 0.37 O ATOM 36 CB VAL A 3 77.196 12.171 -1.809 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.157 13.307 -1.803 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.525 10.881 -1.335 1.00 0.30 C ATOM 0 HA VAL A 3 78.225 10.939 -3.290 1.00 0.33 H new ATOM 0 HB VAL A 3 78.007 12.456 -1.138 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.753 13.425 -0.798 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.633 14.237 -2.115 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.348 13.064 -2.493 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.090 11.039 -0.348 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.740 10.600 -2.037 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.266 10.084 -1.281 1.00 0.30 H new ATOM 48 N LEU A 4 76.416 10.963 -4.939 1.00 0.26 N ATOM 49 CA LEU A 4 75.385 11.000 -6.020 1.00 0.28 C ATOM 50 C LEU A 4 73.973 10.950 -5.411 1.00 0.28 C ATOM 51 O LEU A 4 73.012 11.368 -6.029 1.00 0.30 O ATOM 52 CB LEU A 4 75.659 9.763 -6.897 1.00 0.27 C ATOM 53 CG LEU A 4 77.147 9.688 -7.320 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.334 8.544 -8.318 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.599 11.007 -7.970 1.00 0.37 C ATOM 0 H LEU A 4 76.784 10.036 -4.724 1.00 0.26 H new ATOM 0 HA LEU A 4 75.438 11.917 -6.607 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.389 8.860 -6.349 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.028 9.798 -7.785 1.00 0.27 H new ATOM 0 HG LEU A 4 77.752 9.513 -6.430 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.381 8.490 -8.617 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.040 7.603 -7.852 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.714 8.723 -9.197 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.647 10.930 -8.259 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.993 11.203 -8.854 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.478 11.824 -7.258 1.00 0.37 H new ATOM 67 N ALA A 5 73.852 10.514 -4.173 1.00 0.25 N ATOM 68 CA ALA A 5 72.526 10.517 -3.478 1.00 0.25 C ATOM 69 C ALA A 5 72.723 10.081 -2.025 1.00 0.23 C ATOM 70 O ALA A 5 73.654 9.361 -1.717 1.00 0.25 O ATOM 71 CB ALA A 5 71.654 9.503 -4.226 1.00 0.26 C ATOM 0 H ALA A 5 74.625 10.154 -3.613 1.00 0.25 H new ATOM 0 HA ALA A 5 72.063 11.504 -3.475 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.668 9.460 -3.763 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.553 9.808 -5.267 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.120 8.519 -4.180 1.00 0.26 H new ATOM 77 N LYS A 6 71.878 10.530 -1.132 1.00 0.22 N ATOM 78 CA LYS A 6 72.035 10.162 0.308 1.00 0.22 C ATOM 79 C LYS A 6 70.685 9.756 0.904 1.00 0.21 C ATOM 80 O LYS A 6 69.698 10.456 0.758 1.00 0.23 O ATOM 81 CB LYS A 6 72.579 11.427 0.976 1.00 0.24 C ATOM 82 CG LYS A 6 72.799 11.176 2.472 1.00 1.40 C ATOM 83 CD LYS A 6 73.770 12.220 3.035 1.00 1.50 C ATOM 84 CE LYS A 6 73.156 13.618 2.919 1.00 1.79 C ATOM 85 NZ LYS A 6 73.582 14.329 4.157 1.00 2.30 N ATOM 0 H LYS A 6 71.085 11.137 -1.338 1.00 0.22 H new ATOM 0 HA LYS A 6 72.701 9.311 0.453 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.517 11.721 0.506 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.880 12.252 0.836 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.848 11.227 3.003 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.198 10.174 2.627 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.993 11.997 4.078 1.00 1.50 H new ATOM 0 HD3 LYS A 6 74.714 12.182 2.492 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.511 14.132 2.026 1.00 1.79 H new ATOM 0 HE3 LYS A 6 72.070 13.567 2.847 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 73.200 15.296 4.151 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.224 13.820 4.990 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 74.621 14.368 4.195 1.00 2.30 H new ATOM 99 N PHE A 7 70.631 8.608 1.534 1.00 0.19 N ATOM 100 CA PHE A 7 69.338 8.117 2.102 1.00 0.19 C ATOM 101 C PHE A 7 69.586 7.250 3.345 1.00 0.17 C ATOM 102 O PHE A 7 70.696 6.834 3.604 1.00 0.16 O ATOM 103 CB PHE A 7 68.693 7.309 0.966 1.00 0.20 C ATOM 104 CG PHE A 7 69.556 6.122 0.588 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.775 6.319 -0.145 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.151 4.796 0.960 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.587 5.192 -0.504 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.964 3.669 0.599 1.00 0.20 C ATOM 109 CZ PHE A 7 71.180 3.867 -0.132 1.00 0.20 C ATOM 0 H PHE A 7 71.429 7.989 1.679 1.00 0.19 H new ATOM 0 HA PHE A 7 68.691 8.930 2.433 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.707 6.963 1.275 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.548 7.949 0.096 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.081 7.316 -0.426 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.235 4.646 1.512 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.504 5.341 -1.054 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.659 2.672 0.879 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.791 3.019 -0.403 1.00 0.20 H new ATOM 119 N HIS A 8 68.567 7.035 4.142 1.00 0.18 N ATOM 120 CA HIS A 8 68.742 6.260 5.411 1.00 0.18 C ATOM 121 C HIS A 8 67.996 4.925 5.321 1.00 0.17 C ATOM 122 O HIS A 8 66.864 4.867 4.877 1.00 0.18 O ATOM 123 CB HIS A 8 68.124 7.140 6.501 1.00 0.20 C ATOM 124 CG HIS A 8 68.877 8.440 6.598 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.366 9.538 7.273 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.100 8.834 6.114 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.270 10.530 7.176 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.345 10.154 6.479 1.00 1.99 N ATOM 0 H HIS A 8 67.618 7.364 3.967 1.00 0.18 H new ATOM 0 HA HIS A 8 69.788 6.031 5.613 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.076 7.333 6.274 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.152 6.621 7.459 1.00 0.20 H new ATOM 0 HD1 HIS A 8 67.468 9.585 7.755 1.00 1.41 H new ATOM 0 HD2 HIS A 8 70.770 8.213 5.537 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.142 11.511 7.609 1.00 1.81 H new ATOM 136 N THR A 9 68.608 3.866 5.785 1.00 0.16 N ATOM 137 CA THR A 9 67.933 2.530 5.786 1.00 0.17 C ATOM 138 C THR A 9 68.478 1.677 6.942 1.00 0.16 C ATOM 139 O THR A 9 69.550 1.943 7.448 1.00 0.15 O ATOM 140 CB THR A 9 68.253 1.913 4.408 1.00 0.17 C ATOM 141 OG1 THR A 9 67.489 0.728 4.238 1.00 0.18 O ATOM 142 CG2 THR A 9 69.746 1.580 4.289 1.00 0.17 C ATOM 0 H THR A 9 69.554 3.868 6.167 1.00 0.16 H new ATOM 0 HA THR A 9 66.855 2.596 5.936 1.00 0.17 H new ATOM 0 HB THR A 9 68.000 2.638 3.634 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.688 0.333 3.363 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.945 1.147 3.309 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.333 2.491 4.409 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.022 0.866 5.065 1.00 0.17 H new ATOM 150 N THR A 10 67.779 0.633 7.323 1.00 0.17 N ATOM 151 CA THR A 10 68.304 -0.260 8.404 1.00 0.17 C ATOM 152 C THR A 10 68.703 -1.623 7.817 1.00 0.17 C ATOM 153 O THR A 10 68.288 -1.982 6.730 1.00 0.17 O ATOM 154 CB THR A 10 67.170 -0.371 9.457 1.00 0.17 C ATOM 155 OG1 THR A 10 67.706 -0.871 10.671 1.00 0.17 O ATOM 156 CG2 THR A 10 66.047 -1.311 9.001 1.00 0.17 C ATOM 0 H THR A 10 66.875 0.363 6.935 1.00 0.17 H new ATOM 0 HA THR A 10 69.206 0.137 8.870 1.00 0.17 H new ATOM 0 HB THR A 10 66.750 0.626 9.591 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.636 -1.145 10.530 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.276 -1.357 9.770 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.613 -0.936 8.074 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.453 -2.309 8.834 1.00 0.17 H new ATOM 164 N VAL A 11 69.563 -2.334 8.497 1.00 0.17 N ATOM 165 CA VAL A 11 70.069 -3.632 7.952 1.00 0.17 C ATOM 166 C VAL A 11 69.047 -4.743 8.191 1.00 0.17 C ATOM 167 O VAL A 11 68.541 -4.910 9.282 1.00 0.17 O ATOM 168 CB VAL A 11 71.370 -3.921 8.718 1.00 0.21 C ATOM 169 CG1 VAL A 11 71.998 -5.223 8.199 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.361 -2.759 8.520 1.00 0.49 C ATOM 0 H VAL A 11 69.939 -2.073 9.409 1.00 0.17 H new ATOM 0 HA VAL A 11 70.238 -3.582 6.876 1.00 0.17 H new ATOM 0 HB VAL A 11 71.143 -4.025 9.779 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.920 -5.425 8.744 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.301 -6.048 8.347 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.219 -5.122 7.137 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.281 -2.969 9.065 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.585 -2.648 7.459 1.00 0.49 H new ATOM 0 HG23 VAL A 11 71.919 -1.836 8.896 1.00 0.49 H new ATOM 180 N HIS A 12 68.830 -5.560 7.196 1.00 0.21 N ATOM 181 CA HIS A 12 67.947 -6.751 7.360 1.00 0.25 C ATOM 182 C HIS A 12 68.773 -8.025 7.223 1.00 0.25 C ATOM 183 O HIS A 12 69.959 -7.982 6.957 1.00 0.25 O ATOM 184 CB HIS A 12 66.904 -6.670 6.247 1.00 0.26 C ATOM 185 CG HIS A 12 65.761 -5.807 6.701 1.00 0.31 C ATOM 186 ND1 HIS A 12 65.926 -4.466 7.007 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.434 -6.081 6.917 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.727 -3.986 7.388 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.782 -4.930 7.351 1.00 0.56 N ATOM 0 H HIS A 12 69.232 -5.452 6.265 1.00 0.21 H new ATOM 0 HA HIS A 12 67.471 -6.768 8.340 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.351 -6.256 5.343 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.544 -7.668 5.996 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.966 -7.044 6.772 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.551 -2.963 7.687 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.795 -4.829 7.589 1.00 0.56 H new ATOM 197 N ARG A 13 68.174 -9.155 7.502 1.00 0.29 N ATOM 198 CA ARG A 13 68.925 -10.460 7.498 1.00 0.32 C ATOM 199 C ARG A 13 69.822 -10.610 6.253 1.00 0.29 C ATOM 200 O ARG A 13 69.606 -9.976 5.240 1.00 0.24 O ATOM 201 CB ARG A 13 67.829 -11.525 7.481 1.00 0.36 C ATOM 202 CG ARG A 13 67.107 -11.541 8.830 1.00 0.72 C ATOM 203 CD ARG A 13 66.090 -12.685 8.851 1.00 1.16 C ATOM 204 NE ARG A 13 65.304 -12.480 10.107 1.00 1.81 N ATOM 205 CZ ARG A 13 64.338 -11.580 10.187 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.016 -10.812 9.167 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.685 -11.448 11.308 1.00 2.76 N ATOM 0 H ARG A 13 67.184 -9.236 7.736 1.00 0.29 H new ATOM 0 HA ARG A 13 69.592 -10.536 8.357 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.119 -11.318 6.680 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.263 -12.504 7.278 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.827 -11.666 9.639 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.603 -10.589 8.996 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.445 -12.656 7.973 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.587 -13.655 8.850 1.00 1.16 H new ATOM 0 HE ARG A 13 65.519 -13.050 10.925 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.517 -10.902 8.283 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.266 -10.127 9.261 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.922 -12.035 12.108 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.938 -10.758 11.385 1.00 2.76 H new ATOM 221 N ILE A 14 70.892 -11.365 6.379 1.00 0.34 N ATOM 222 CA ILE A 14 71.913 -11.509 5.273 1.00 0.34 C ATOM 223 C ILE A 14 72.606 -10.174 4.929 1.00 0.28 C ATOM 224 O ILE A 14 73.363 -10.112 3.975 1.00 0.29 O ATOM 225 CB ILE A 14 71.164 -12.040 4.035 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.387 -13.313 4.387 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.176 -12.366 2.935 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.423 -13.643 3.247 1.00 0.36 C ATOM 0 H ILE A 14 71.109 -11.901 7.219 1.00 0.34 H new ATOM 0 HA ILE A 14 72.700 -12.190 5.599 1.00 0.34 H new ATOM 0 HB ILE A 14 70.465 -11.277 3.692 1.00 0.36 H new ATOM 0 HG12 ILE A 14 71.076 -14.142 4.548 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.836 -13.172 5.317 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.651 -12.742 2.057 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.728 -11.464 2.669 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.872 -13.124 3.294 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.867 -14.548 3.491 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.727 -12.816 3.108 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.987 -13.801 2.328 1.00 0.36 H new ATOM 240 N GLY A 15 72.381 -9.115 5.682 1.00 0.24 N ATOM 241 CA GLY A 15 73.055 -7.814 5.377 1.00 0.20 C ATOM 242 C GLY A 15 72.364 -7.119 4.193 1.00 0.17 C ATOM 243 O GLY A 15 72.942 -6.244 3.570 1.00 0.15 O ATOM 0 H GLY A 15 71.760 -9.100 6.491 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.026 -7.167 6.254 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.105 -7.987 5.143 1.00 0.20 H new ATOM 247 N ARG A 16 71.164 -7.533 3.839 1.00 0.18 N ATOM 248 CA ARG A 16 70.474 -6.928 2.660 1.00 0.18 C ATOM 249 C ARG A 16 69.726 -5.658 3.078 1.00 0.19 C ATOM 250 O ARG A 16 69.089 -5.621 4.112 1.00 0.24 O ATOM 251 CB ARG A 16 69.495 -8.007 2.184 1.00 0.26 C ATOM 252 CG ARG A 16 68.740 -7.517 0.945 1.00 0.26 C ATOM 253 CD ARG A 16 67.881 -8.656 0.390 1.00 0.76 C ATOM 254 NE ARG A 16 66.831 -8.888 1.431 1.00 0.91 N ATOM 255 CZ ARG A 16 65.772 -8.104 1.540 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.581 -7.076 0.743 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.890 -8.356 2.468 1.00 1.41 N ATOM 0 H ARG A 16 70.638 -8.263 4.319 1.00 0.18 H new ATOM 0 HA ARG A 16 71.170 -6.635 1.874 1.00 0.18 H new ATOM 0 HB2 ARG A 16 70.036 -8.924 1.952 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.789 -8.246 2.979 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.111 -6.665 1.202 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.445 -7.176 0.187 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.435 -8.385 -0.567 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.476 -9.554 0.222 1.00 0.76 H new ATOM 0 HE ARG A 16 66.935 -9.673 2.074 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.261 -6.863 0.013 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.753 -6.491 0.854 1.00 1.96 H new ATOM 0 HH21 ARG A 16 65.023 -9.148 3.096 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.068 -7.761 2.565 1.00 1.41 H new ATOM 271 N ILE A 17 69.721 -4.659 2.229 1.00 0.18 N ATOM 272 CA ILE A 17 68.908 -3.434 2.503 1.00 0.21 C ATOM 273 C ILE A 17 68.120 -3.046 1.248 1.00 0.19 C ATOM 274 O ILE A 17 68.535 -3.341 0.143 1.00 0.15 O ATOM 275 CB ILE A 17 69.920 -2.340 2.887 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.897 -2.092 1.727 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.706 -2.780 4.123 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.688 -0.802 1.979 1.00 0.30 C ATOM 0 H ILE A 17 70.247 -4.640 1.355 1.00 0.18 H new ATOM 0 HA ILE A 17 68.181 -3.588 3.300 1.00 0.21 H new ATOM 0 HB ILE A 17 69.379 -1.419 3.103 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.581 -2.935 1.629 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.349 -2.015 0.788 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.422 -2.004 4.394 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.018 -2.944 4.952 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.239 -3.706 3.905 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.379 -0.632 1.153 1.00 0.30 H new ATOM 0 HD12 ILE A 17 70.998 0.039 2.055 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.250 -0.895 2.909 1.00 0.30 H new ATOM 290 N ILE A 18 67.036 -2.327 1.406 1.00 0.23 N ATOM 291 CA ILE A 18 66.274 -1.844 0.212 1.00 0.20 C ATOM 292 C ILE A 18 66.293 -0.318 0.164 1.00 0.20 C ATOM 293 O ILE A 18 65.909 0.341 1.115 1.00 0.22 O ATOM 294 CB ILE A 18 64.835 -2.346 0.396 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.812 -3.876 0.582 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.004 -1.968 -0.836 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.467 -4.574 -0.616 1.00 0.24 C ATOM 0 H ILE A 18 66.646 -2.054 2.308 1.00 0.23 H new ATOM 0 HA ILE A 18 66.710 -2.211 -0.717 1.00 0.20 H new ATOM 0 HB ILE A 18 64.413 -1.881 1.287 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.338 -4.145 1.498 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.783 -4.219 0.692 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.981 -2.323 -0.708 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.000 -0.884 -0.953 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.439 -2.427 -1.723 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.441 -5.653 -0.467 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.924 -4.321 -1.526 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.502 -4.245 -0.708 1.00 0.24 H new ATOM 309 N ILE A 19 66.655 0.240 -0.963 1.00 0.17 N ATOM 310 CA ILE A 19 66.605 1.727 -1.112 1.00 0.17 C ATOM 311 C ILE A 19 65.160 2.161 -1.396 1.00 0.19 C ATOM 312 O ILE A 19 64.463 1.489 -2.127 1.00 0.17 O ATOM 313 CB ILE A 19 67.525 2.057 -2.299 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.946 1.537 -1.980 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.540 3.582 -2.502 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.955 1.976 -3.047 1.00 0.23 C ATOM 0 H ILE A 19 66.982 -0.268 -1.785 1.00 0.17 H new ATOM 0 HA ILE A 19 66.930 2.249 -0.212 1.00 0.17 H new ATOM 0 HB ILE A 19 67.168 1.582 -3.213 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.261 1.909 -1.005 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.931 0.449 -1.917 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.189 3.831 -3.341 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.529 3.931 -2.709 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.913 4.066 -1.599 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.943 1.594 -2.792 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.653 1.582 -4.017 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.987 3.065 -3.091 1.00 0.23 H new ATOM 328 N PRO A 20 64.772 3.319 -0.899 1.00 0.24 N ATOM 329 CA PRO A 20 63.425 3.859 -1.231 1.00 0.28 C ATOM 330 C PRO A 20 63.327 4.119 -2.727 1.00 0.26 C ATOM 331 O PRO A 20 64.285 4.531 -3.353 1.00 0.25 O ATOM 332 CB PRO A 20 63.365 5.165 -0.453 1.00 0.34 C ATOM 333 CG PRO A 20 64.800 5.534 -0.283 1.00 0.35 C ATOM 334 CD PRO A 20 65.503 4.239 -0.008 1.00 0.29 C ATOM 0 HA PRO A 20 62.610 3.181 -0.978 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.815 5.932 -0.998 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.867 5.037 0.508 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.193 6.014 -1.179 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.932 6.237 0.539 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.565 4.288 -0.249 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.427 3.944 1.039 1.00 0.29 H new ATOM 342 N ALA A 21 62.183 3.866 -3.302 1.00 0.28 N ATOM 343 CA ALA A 21 62.015 4.064 -4.776 1.00 0.29 C ATOM 344 C ALA A 21 62.332 5.515 -5.162 1.00 0.31 C ATOM 345 O ALA A 21 62.737 5.794 -6.275 1.00 0.32 O ATOM 346 CB ALA A 21 60.548 3.743 -5.068 1.00 0.33 C ATOM 0 H ALA A 21 61.352 3.529 -2.815 1.00 0.28 H new ATOM 0 HA ALA A 21 62.690 3.428 -5.348 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.353 3.868 -6.133 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.336 2.714 -4.778 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.908 4.419 -4.501 1.00 0.33 H new ATOM 352 N GLY A 22 62.148 6.436 -4.244 1.00 0.34 N ATOM 353 CA GLY A 22 62.432 7.873 -4.553 1.00 0.38 C ATOM 354 C GLY A 22 63.923 8.062 -4.833 1.00 0.37 C ATOM 355 O GLY A 22 64.304 8.751 -5.762 1.00 0.39 O ATOM 0 H GLY A 22 61.814 6.254 -3.297 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.848 8.190 -5.417 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.128 8.501 -3.715 1.00 0.38 H new ATOM 359 N THR A 23 64.770 7.460 -4.032 1.00 0.34 N ATOM 360 CA THR A 23 66.243 7.611 -4.244 1.00 0.34 C ATOM 361 C THR A 23 66.666 6.874 -5.518 1.00 0.30 C ATOM 362 O THR A 23 67.460 7.374 -6.290 1.00 0.32 O ATOM 363 CB THR A 23 66.908 6.998 -3.001 1.00 0.34 C ATOM 364 OG1 THR A 23 66.500 7.713 -1.837 1.00 0.39 O ATOM 365 CG2 THR A 23 68.435 7.080 -3.128 1.00 0.37 C ATOM 0 H THR A 23 64.504 6.872 -3.242 1.00 0.34 H new ATOM 0 HA THR A 23 66.536 8.653 -4.370 1.00 0.34 H new ATOM 0 HB THR A 23 66.605 5.954 -2.919 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.203 8.344 -1.577 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.898 6.643 -2.243 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.756 6.532 -4.013 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.737 8.123 -3.218 1.00 0.37 H new ATOM 373 N ARG A 24 66.091 5.718 -5.782 1.00 0.26 N ATOM 374 CA ARG A 24 66.416 4.983 -7.064 1.00 0.25 C ATOM 375 C ARG A 24 66.138 5.900 -8.261 1.00 0.28 C ATOM 376 O ARG A 24 66.864 5.909 -9.235 1.00 0.29 O ATOM 377 CB ARG A 24 65.484 3.761 -7.163 1.00 0.25 C ATOM 378 CG ARG A 24 65.399 2.991 -5.843 1.00 0.23 C ATOM 379 CD ARG A 24 65.053 1.530 -6.127 1.00 0.24 C ATOM 380 NE ARG A 24 64.278 1.078 -4.930 1.00 0.27 N ATOM 381 CZ ARG A 24 63.433 0.063 -4.989 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.233 -0.618 -6.096 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.780 -0.271 -3.912 1.00 0.39 N ATOM 0 H ARG A 24 65.417 5.252 -5.175 1.00 0.26 H new ATOM 0 HA ARG A 24 67.463 4.679 -7.066 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.487 4.090 -7.455 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.843 3.095 -7.948 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.348 3.054 -5.311 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.642 3.436 -5.198 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.463 1.434 -7.039 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.953 0.930 -6.264 1.00 0.24 H new ATOM 0 HE ARG A 24 64.405 1.567 -4.044 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.738 -0.369 -6.946 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.573 -1.396 -6.104 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.926 0.248 -3.046 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.123 -1.051 -3.935 1.00 0.39 H new ATOM 397 N LYS A 25 65.049 6.623 -8.197 1.00 0.32 N ATOM 398 CA LYS A 25 64.649 7.506 -9.336 1.00 0.37 C ATOM 399 C LYS A 25 65.668 8.630 -9.516 1.00 0.38 C ATOM 400 O LYS A 25 66.168 8.857 -10.601 1.00 0.40 O ATOM 401 CB LYS A 25 63.281 8.074 -8.933 1.00 0.42 C ATOM 402 CG LYS A 25 62.737 8.963 -10.049 1.00 1.08 C ATOM 403 CD LYS A 25 61.385 9.543 -9.626 1.00 1.68 C ATOM 404 CE LYS A 25 60.770 10.311 -10.798 1.00 2.42 C ATOM 405 NZ LYS A 25 59.892 11.334 -10.167 1.00 2.97 N ATOM 0 H LYS A 25 64.415 6.640 -7.399 1.00 0.32 H new ATOM 0 HA LYS A 25 64.604 6.968 -10.283 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.584 7.260 -8.733 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.373 8.648 -8.011 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.440 9.769 -10.262 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.626 8.386 -10.967 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.716 8.742 -9.311 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.513 10.206 -8.770 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.540 10.777 -11.413 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.200 9.648 -11.449 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.433 11.902 -10.908 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.165 10.861 -9.593 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.464 11.954 -9.559 1.00 2.97 H new ATOM 419 N PHE A 26 65.994 9.315 -8.450 1.00 0.38 N ATOM 420 CA PHE A 26 66.995 10.433 -8.535 1.00 0.42 C ATOM 421 C PHE A 26 68.329 9.924 -9.092 1.00 0.42 C ATOM 422 O PHE A 26 69.026 10.629 -9.799 1.00 0.46 O ATOM 423 CB PHE A 26 67.167 10.928 -7.096 1.00 0.43 C ATOM 424 CG PHE A 26 68.094 12.120 -7.071 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.607 13.418 -7.441 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.465 11.952 -6.680 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.490 14.549 -7.417 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.348 13.083 -6.657 1.00 0.64 C ATOM 429 CZ PHE A 26 69.861 14.382 -7.026 1.00 0.67 C ATOM 0 H PHE A 26 65.611 9.151 -7.519 1.00 0.38 H new ATOM 0 HA PHE A 26 66.661 11.227 -9.203 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.198 11.201 -6.678 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.570 10.130 -6.473 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.576 13.544 -7.737 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.832 10.975 -6.403 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.123 15.526 -7.693 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.379 12.957 -6.362 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.526 15.233 -7.009 1.00 0.67 H new ATOM 439 N TYR A 27 68.718 8.738 -8.708 1.00 0.39 N ATOM 440 CA TYR A 27 70.050 8.197 -9.129 1.00 0.42 C ATOM 441 C TYR A 27 69.957 7.475 -10.487 1.00 0.35 C ATOM 442 O TYR A 27 70.964 7.238 -11.130 1.00 0.37 O ATOM 443 CB TYR A 27 70.417 7.215 -8.014 1.00 0.46 C ATOM 444 CG TYR A 27 71.825 6.692 -8.190 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.116 5.707 -9.195 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.868 7.158 -7.325 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.448 5.195 -9.335 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.198 6.639 -7.459 1.00 1.16 C ATOM 449 CZ TYR A 27 74.488 5.658 -8.464 1.00 1.18 C ATOM 450 OH TYR A 27 75.763 5.155 -8.585 1.00 1.44 O ATOM 0 H TYR A 27 68.169 8.114 -8.117 1.00 0.39 H new ATOM 0 HA TYR A 27 70.794 8.982 -9.263 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.328 7.709 -7.046 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.714 6.382 -8.013 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.331 5.352 -9.846 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.652 7.901 -6.571 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.668 4.461 -10.096 1.00 1.10 H new ATOM 0 HE2 TYR A 27 74.982 6.987 -6.803 1.00 1.16 H new ATOM 0 HH TYR A 27 76.338 5.553 -7.898 1.00 1.44 H new ATOM 460 N GLY A 28 68.763 7.167 -10.955 1.00 0.31 N ATOM 461 CA GLY A 28 68.625 6.505 -12.289 1.00 0.29 C ATOM 462 C GLY A 28 69.021 5.028 -12.173 1.00 0.26 C ATOM 463 O GLY A 28 69.756 4.514 -12.997 1.00 0.27 O ATOM 0 H GLY A 28 67.885 7.347 -10.469 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.598 6.590 -12.644 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.258 7.005 -13.022 1.00 0.29 H new ATOM 467 N ILE A 29 68.592 4.362 -11.125 1.00 0.24 N ATOM 468 CA ILE A 29 69.001 2.934 -10.912 1.00 0.23 C ATOM 469 C ILE A 29 68.027 1.985 -11.616 1.00 0.20 C ATOM 470 O ILE A 29 66.844 1.969 -11.328 1.00 0.22 O ATOM 471 CB ILE A 29 68.963 2.711 -9.392 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.929 3.682 -8.711 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.379 1.271 -9.066 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.831 3.558 -7.187 1.00 0.42 C ATOM 0 H ILE A 29 67.976 4.745 -10.408 1.00 0.24 H new ATOM 0 HA ILE A 29 69.991 2.736 -11.323 1.00 0.23 H new ATOM 0 HB ILE A 29 67.950 2.885 -9.030 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.949 3.475 -9.034 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.700 4.704 -9.014 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.350 1.119 -7.987 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.692 0.576 -9.549 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.391 1.093 -9.430 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.525 4.256 -6.720 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.815 3.789 -6.868 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.083 2.541 -6.888 1.00 0.42 H new ATOM 486 N GLU A 30 68.557 1.088 -12.405 1.00 0.17 N ATOM 487 CA GLU A 30 67.725 -0.003 -12.989 1.00 0.18 C ATOM 488 C GLU A 30 68.394 -1.349 -12.707 1.00 0.17 C ATOM 489 O GLU A 30 69.590 -1.416 -12.491 1.00 0.18 O ATOM 490 CB GLU A 30 67.687 0.279 -14.492 1.00 0.22 C ATOM 491 CG GLU A 30 66.729 -0.703 -15.174 1.00 1.06 C ATOM 492 CD GLU A 30 65.286 -0.400 -14.757 1.00 1.14 C ATOM 493 OE1 GLU A 30 64.998 0.750 -14.464 1.00 1.37 O ATOM 494 OE2 GLU A 30 64.490 -1.323 -14.747 1.00 1.82 O ATOM 0 H GLU A 30 69.541 1.065 -12.672 1.00 0.17 H new ATOM 0 HA GLU A 30 66.720 -0.040 -12.568 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.363 1.304 -14.672 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.686 0.182 -14.916 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.827 -0.627 -16.257 1.00 1.06 H new ATOM 0 HG3 GLU A 30 66.988 -1.726 -14.901 1.00 1.06 H new ATOM 501 N GLN A 31 67.637 -2.421 -12.684 1.00 0.20 N ATOM 502 CA GLN A 31 68.236 -3.767 -12.384 1.00 0.20 C ATOM 503 C GLN A 31 69.382 -4.077 -13.354 1.00 0.19 C ATOM 504 O GLN A 31 69.294 -3.809 -14.539 1.00 0.20 O ATOM 505 CB GLN A 31 67.094 -4.769 -12.571 1.00 0.25 C ATOM 506 CG GLN A 31 66.042 -4.552 -11.479 1.00 1.08 C ATOM 507 CD GLN A 31 64.830 -5.460 -11.726 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.852 -6.317 -12.590 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.759 -5.303 -10.998 1.00 1.99 N ATOM 0 H GLN A 31 66.632 -2.425 -12.859 1.00 0.20 H new ATOM 0 HA GLN A 31 68.654 -3.808 -11.378 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.643 -4.644 -13.555 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.478 -5.788 -12.524 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.473 -4.766 -10.501 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.728 -3.508 -11.468 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.736 -4.586 -10.273 1.00 1.99 H new ATOM 0 HE22 GLN A 31 62.945 -5.897 -11.154 1.00 1.99 H new ATOM 518 N GLY A 32 70.455 -4.640 -12.853 1.00 0.18 N ATOM 519 CA GLY A 32 71.617 -4.974 -13.728 1.00 0.19 C ATOM 520 C GLY A 32 72.662 -3.845 -13.706 1.00 0.17 C ATOM 521 O GLY A 32 73.804 -4.061 -14.070 1.00 0.18 O ATOM 0 H GLY A 32 70.574 -4.883 -11.870 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.074 -5.905 -13.393 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.273 -5.137 -14.749 1.00 0.19 H new ATOM 525 N ASP A 33 72.307 -2.662 -13.239 1.00 0.15 N ATOM 526 CA ASP A 33 73.316 -1.557 -13.151 1.00 0.14 C ATOM 527 C ASP A 33 74.229 -1.774 -11.945 1.00 0.13 C ATOM 528 O ASP A 33 73.835 -2.391 -10.974 1.00 0.14 O ATOM 529 CB ASP A 33 72.504 -0.273 -12.977 1.00 0.13 C ATOM 530 CG ASP A 33 71.706 0.028 -14.250 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.109 -0.424 -15.313 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.709 0.716 -14.139 1.00 1.07 O ATOM 0 H ASP A 33 71.369 -2.420 -12.919 1.00 0.15 H new ATOM 0 HA ASP A 33 73.952 -1.516 -14.036 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.826 -0.376 -12.130 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.171 0.559 -12.752 1.00 0.13 H new ATOM 537 N PHE A 34 75.402 -1.185 -11.956 1.00 0.12 N ATOM 538 CA PHE A 34 76.292 -1.259 -10.762 1.00 0.11 C ATOM 539 C PHE A 34 76.415 0.122 -10.129 1.00 0.10 C ATOM 540 O PHE A 34 76.639 1.099 -10.815 1.00 0.11 O ATOM 541 CB PHE A 34 77.646 -1.723 -11.297 1.00 0.12 C ATOM 542 CG PHE A 34 77.556 -3.168 -11.722 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.151 -3.501 -13.058 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.876 -4.210 -10.788 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.067 -4.875 -13.461 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.792 -5.584 -11.192 1.00 0.20 C ATOM 547 CZ PHE A 34 77.387 -5.917 -12.527 1.00 0.21 C ATOM 0 H PHE A 34 75.778 -0.657 -12.743 1.00 0.12 H new ATOM 0 HA PHE A 34 75.908 -1.936 -9.999 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.946 -1.103 -12.142 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.411 -1.607 -10.529 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.909 -2.717 -13.760 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.180 -3.960 -9.782 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.763 -5.125 -14.467 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.034 -6.368 -10.490 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.323 -6.952 -12.830 1.00 0.21 H new ATOM 557 N VAL A 35 76.389 0.189 -8.824 1.00 0.09 N ATOM 558 CA VAL A 35 76.639 1.489 -8.135 1.00 0.09 C ATOM 559 C VAL A 35 77.685 1.287 -7.038 1.00 0.10 C ATOM 560 O VAL A 35 77.849 0.195 -6.526 1.00 0.10 O ATOM 561 CB VAL A 35 75.281 1.921 -7.561 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.277 2.098 -8.707 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.753 0.859 -6.593 1.00 0.15 C ATOM 0 H VAL A 35 76.205 -0.601 -8.205 1.00 0.09 H new ATOM 0 HA VAL A 35 77.029 2.256 -8.804 1.00 0.09 H new ATOM 0 HB VAL A 35 75.408 2.862 -7.026 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.313 2.405 -8.302 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.641 2.861 -9.395 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.163 1.154 -9.240 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.790 1.177 -6.193 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.632 -0.087 -7.121 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.461 0.729 -5.774 1.00 0.15 H new ATOM 573 N GLU A 36 78.403 2.325 -6.687 1.00 0.12 N ATOM 574 CA GLU A 36 79.455 2.199 -5.636 1.00 0.13 C ATOM 575 C GLU A 36 79.057 3.066 -4.459 1.00 0.13 C ATOM 576 O GLU A 36 78.634 4.190 -4.652 1.00 0.13 O ATOM 577 CB GLU A 36 80.739 2.714 -6.287 1.00 0.14 C ATOM 578 CG GLU A 36 81.920 2.499 -5.330 1.00 0.15 C ATOM 579 CD GLU A 36 83.214 3.096 -5.916 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.155 3.715 -6.969 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.248 2.923 -5.291 1.00 1.03 O ATOM 0 H GLU A 36 78.304 3.258 -7.086 1.00 0.12 H new ATOM 0 HA GLU A 36 79.586 1.179 -5.274 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.918 2.191 -7.226 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.639 3.773 -6.526 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.703 2.963 -4.368 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.056 1.433 -5.147 1.00 0.15 H new ATOM 588 N ILE A 37 78.956 2.479 -3.296 1.00 0.12 N ATOM 589 CA ILE A 37 78.299 3.193 -2.168 1.00 0.11 C ATOM 590 C ILE A 37 79.042 2.946 -0.850 1.00 0.11 C ATOM 591 O ILE A 37 79.736 1.958 -0.696 1.00 0.12 O ATOM 592 CB ILE A 37 76.881 2.609 -2.139 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.054 3.301 -1.056 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.931 1.101 -1.860 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.565 3.256 -1.431 1.00 0.14 C ATOM 0 H ILE A 37 79.298 1.542 -3.081 1.00 0.12 H new ATOM 0 HA ILE A 37 78.297 4.275 -2.296 1.00 0.11 H new ATOM 0 HB ILE A 37 76.417 2.775 -3.111 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.212 2.810 -0.096 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.379 4.335 -0.942 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.917 0.700 -1.842 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.504 0.605 -2.644 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.408 0.925 -0.896 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.979 3.751 -0.656 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.414 3.767 -2.382 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.244 2.218 -1.522 1.00 0.14 H new ATOM 607 N LYS A 38 78.865 3.820 0.107 1.00 0.12 N ATOM 608 CA LYS A 38 79.515 3.635 1.437 1.00 0.13 C ATOM 609 C LYS A 38 78.503 3.866 2.563 1.00 0.13 C ATOM 610 O LYS A 38 77.630 4.702 2.455 1.00 0.14 O ATOM 611 CB LYS A 38 80.620 4.688 1.498 1.00 0.13 C ATOM 612 CG LYS A 38 81.545 4.361 2.666 1.00 0.18 C ATOM 613 CD LYS A 38 82.685 5.381 2.719 1.00 0.25 C ATOM 614 CE LYS A 38 83.681 4.982 3.814 1.00 1.03 C ATOM 615 NZ LYS A 38 84.070 6.264 4.464 1.00 1.11 N ATOM 0 H LYS A 38 78.293 4.660 0.022 1.00 0.12 H new ATOM 0 HA LYS A 38 79.906 2.625 1.559 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.181 4.701 0.564 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.189 5.681 1.624 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.986 4.377 3.601 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.949 3.355 2.553 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.190 5.428 1.754 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.287 6.376 2.920 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.227 4.298 4.531 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.548 4.473 3.393 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.752 6.074 5.226 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.505 6.893 3.759 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.225 6.722 4.861 1.00 1.11 H new ATOM 629 N ILE A 39 78.636 3.145 3.648 1.00 0.14 N ATOM 630 CA ILE A 39 77.701 3.332 4.806 1.00 0.14 C ATOM 631 C ILE A 39 78.454 3.866 6.023 1.00 0.13 C ATOM 632 O ILE A 39 79.616 3.564 6.225 1.00 0.13 O ATOM 633 CB ILE A 39 77.128 1.942 5.117 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.271 0.948 5.378 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.277 1.458 3.944 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.717 -0.307 6.051 1.00 0.20 C ATOM 0 H ILE A 39 79.353 2.432 3.785 1.00 0.14 H new ATOM 0 HA ILE A 39 76.917 4.050 4.566 1.00 0.14 H new ATOM 0 HB ILE A 39 76.504 2.007 6.009 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.758 0.684 4.439 1.00 0.16 H new ATOM 0 HG13 ILE A 39 79.029 1.408 6.012 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.873 0.471 4.170 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.457 2.156 3.777 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.893 1.401 3.047 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.529 -1.010 6.235 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.250 -0.036 6.998 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.976 -0.771 5.401 1.00 0.20 H new ATOM 648 N VAL A 40 77.772 4.603 6.862 1.00 0.13 N ATOM 649 CA VAL A 40 78.403 5.107 8.119 1.00 0.12 C ATOM 650 C VAL A 40 77.417 4.964 9.284 1.00 0.16 C ATOM 651 O VAL A 40 76.297 5.436 9.222 1.00 0.20 O ATOM 652 CB VAL A 40 78.712 6.588 7.854 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.393 7.199 9.083 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.649 6.714 6.648 1.00 0.16 C ATOM 0 H VAL A 40 76.799 4.879 6.729 1.00 0.13 H new ATOM 0 HA VAL A 40 79.303 4.551 8.383 1.00 0.12 H new ATOM 0 HB VAL A 40 77.780 7.115 7.649 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.612 8.250 8.893 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.731 7.116 9.945 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.322 6.666 9.287 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.865 7.766 6.464 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.579 6.183 6.852 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.170 6.283 5.769 1.00 0.16 H new ATOM 664 N LYS A 41 77.852 4.362 10.360 1.00 0.17 N ATOM 665 CA LYS A 41 76.980 4.227 11.566 1.00 0.22 C ATOM 666 C LYS A 41 77.792 4.533 12.824 1.00 0.21 C ATOM 667 O LYS A 41 78.986 4.304 12.862 1.00 0.22 O ATOM 668 CB LYS A 41 76.521 2.771 11.576 1.00 0.28 C ATOM 669 CG LYS A 41 75.489 2.574 12.688 1.00 0.54 C ATOM 670 CD LYS A 41 75.154 1.086 12.816 1.00 1.11 C ATOM 671 CE LYS A 41 74.008 0.896 13.815 1.00 1.50 C ATOM 672 NZ LYS A 41 74.518 1.441 15.105 1.00 1.98 N ATOM 0 H LYS A 41 78.782 3.954 10.456 1.00 0.17 H new ATOM 0 HA LYS A 41 76.135 4.915 11.542 1.00 0.22 H new ATOM 0 HB2 LYS A 41 76.088 2.508 10.611 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.373 2.110 11.734 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.880 2.952 13.633 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.586 3.143 12.466 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.872 0.682 11.844 1.00 1.11 H new ATOM 0 HD3 LYS A 41 76.033 0.533 13.147 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.112 1.425 13.491 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.740 -0.156 13.911 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 74.168 0.857 15.891 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.558 1.428 15.100 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.184 2.419 15.225 1.00 1.98 H new ATOM 686 N TYR A 42 77.164 5.078 13.834 1.00 0.20 N ATOM 687 CA TYR A 42 77.911 5.436 15.080 1.00 0.20 C ATOM 688 C TYR A 42 77.683 4.379 16.164 1.00 0.27 C ATOM 689 O TYR A 42 76.557 4.064 16.504 1.00 0.33 O ATOM 690 CB TYR A 42 77.335 6.784 15.515 1.00 0.22 C ATOM 691 CG TYR A 42 78.387 7.549 16.281 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.614 7.911 15.634 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.162 7.913 17.650 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.619 8.637 16.354 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.168 8.641 18.372 1.00 0.25 C ATOM 696 CZ TYR A 42 80.397 9.002 17.723 1.00 0.28 C ATOM 697 OH TYR A 42 81.364 9.701 18.418 1.00 0.33 O ATOM 0 H TYR A 42 76.167 5.291 13.851 1.00 0.20 H new ATOM 0 HA TYR A 42 78.987 5.486 14.912 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.016 7.355 14.643 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.453 6.632 16.137 1.00 0.22 H new ATOM 0 HD1 TYR A 42 79.782 7.636 14.603 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.238 7.640 18.137 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.543 8.909 15.866 1.00 0.28 H new ATOM 0 HE2 TYR A 42 79.000 8.917 19.403 1.00 0.25 H new ATOM 0 HH TYR A 42 81.053 9.869 19.332 1.00 0.33 H new ATOM 759 N PRO A 47 82.882 6.299 15.446 1.00 0.25 N ATOM 760 CA PRO A 47 82.126 6.015 14.200 1.00 0.21 C ATOM 761 C PRO A 47 82.744 4.818 13.462 1.00 0.27 C ATOM 762 O PRO A 47 83.953 4.712 13.357 1.00 0.34 O ATOM 763 CB PRO A 47 82.274 7.293 13.378 1.00 0.24 C ATOM 764 CG PRO A 47 83.522 7.946 13.878 1.00 0.33 C ATOM 765 CD PRO A 47 83.739 7.493 15.299 1.00 0.31 C ATOM 0 HA PRO A 47 81.083 5.757 14.386 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.347 7.069 12.314 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.410 7.945 13.508 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.373 7.671 13.255 1.00 0.33 H new ATOM 0 HG3 PRO A 47 83.430 9.031 13.832 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.786 7.254 15.483 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.460 8.271 16.010 1.00 0.31 H new ATOM 773 N LYS A 48 81.928 4.016 12.818 1.00 0.26 N ATOM 774 CA LYS A 48 82.467 2.939 11.927 1.00 0.35 C ATOM 775 C LYS A 48 81.945 3.123 10.503 1.00 0.28 C ATOM 776 O LYS A 48 80.877 3.665 10.295 1.00 0.24 O ATOM 777 CB LYS A 48 81.965 1.622 12.508 1.00 0.45 C ATOM 778 CG LYS A 48 82.624 1.379 13.863 1.00 0.60 C ATOM 779 CD LYS A 48 82.774 -0.123 14.083 1.00 0.47 C ATOM 780 CE LYS A 48 83.431 -0.381 15.442 1.00 0.48 C ATOM 781 NZ LYS A 48 82.319 -0.294 16.428 1.00 1.10 N ATOM 0 H LYS A 48 80.910 4.061 12.871 1.00 0.26 H new ATOM 0 HA LYS A 48 83.556 2.965 11.881 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.881 1.651 12.619 1.00 0.45 H new ATOM 0 HB3 LYS A 48 82.194 0.802 11.828 1.00 0.45 H new ATOM 0 HG2 LYS A 48 83.600 1.864 13.899 1.00 0.60 H new ATOM 0 HG3 LYS A 48 82.021 1.817 14.658 1.00 0.60 H new ATOM 0 HD2 LYS A 48 81.798 -0.606 14.042 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.378 -0.559 13.287 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.908 -1.360 15.470 1.00 0.48 H new ATOM 0 HE3 LYS A 48 84.205 0.357 15.653 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 82.669 -0.559 17.371 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 81.955 0.680 16.455 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 81.555 -0.942 16.148 1.00 1.10 H new ATOM 795 N GLU A 49 82.717 2.715 9.526 1.00 0.26 N ATOM 796 CA GLU A 49 82.298 2.911 8.103 1.00 0.20 C ATOM 797 C GLU A 49 82.583 1.659 7.270 1.00 0.19 C ATOM 798 O GLU A 49 83.350 0.800 7.664 1.00 0.21 O ATOM 799 CB GLU A 49 83.139 4.084 7.591 1.00 0.25 C ATOM 800 CG GLU A 49 82.857 5.336 8.430 1.00 0.80 C ATOM 801 CD GLU A 49 83.763 5.359 9.670 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.816 4.739 9.633 1.00 1.42 O ATOM 803 OE2 GLU A 49 83.390 6.005 10.634 1.00 0.96 O ATOM 0 H GLU A 49 83.619 2.255 9.652 1.00 0.26 H new ATOM 0 HA GLU A 49 81.228 3.104 8.027 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.198 3.833 7.642 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.908 4.278 6.544 1.00 0.25 H new ATOM 0 HG2 GLU A 49 83.026 6.230 7.830 1.00 0.80 H new ATOM 0 HG3 GLU A 49 81.811 5.350 8.735 1.00 0.80 H new ATOM 810 N GLY A 50 82.030 1.602 6.086 1.00 0.16 N ATOM 811 CA GLY A 50 82.324 0.468 5.161 1.00 0.16 C ATOM 812 C GLY A 50 82.017 0.894 3.726 1.00 0.15 C ATOM 813 O GLY A 50 80.989 1.483 3.458 1.00 0.17 O ATOM 0 H GLY A 50 81.382 2.299 5.718 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.370 0.173 5.249 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.724 -0.401 5.431 1.00 0.16 H new ATOM 817 N THR A 51 82.888 0.575 2.797 1.00 0.14 N ATOM 818 CA THR A 51 82.636 0.935 1.367 1.00 0.14 C ATOM 819 C THR A 51 82.686 -0.321 0.498 1.00 0.13 C ATOM 820 O THR A 51 83.583 -1.135 0.633 1.00 0.15 O ATOM 821 CB THR A 51 83.774 1.880 0.977 1.00 0.16 C ATOM 822 OG1 THR A 51 84.038 2.780 2.044 1.00 0.18 O ATOM 823 CG2 THR A 51 83.372 2.672 -0.273 1.00 0.21 C ATOM 0 H THR A 51 83.763 0.080 2.969 1.00 0.14 H new ATOM 0 HA THR A 51 81.658 1.396 1.230 1.00 0.14 H new ATOM 0 HB THR A 51 84.671 1.298 0.768 1.00 0.16 H new ATOM 0 HG1 THR A 51 85.001 2.797 2.227 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.182 3.346 -0.553 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.175 1.982 -1.093 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.473 3.252 -0.063 1.00 0.21 H new ATOM 831 N PHE A 52 81.783 -0.443 -0.447 1.00 0.12 N ATOM 832 CA PHE A 52 81.841 -1.606 -1.388 1.00 0.13 C ATOM 833 C PHE A 52 81.115 -1.284 -2.709 1.00 0.11 C ATOM 834 O PHE A 52 80.385 -0.314 -2.804 1.00 0.10 O ATOM 835 CB PHE A 52 81.187 -2.780 -0.620 1.00 0.14 C ATOM 836 CG PHE A 52 79.677 -2.637 -0.551 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.076 -1.655 0.305 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.851 -3.484 -1.362 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.646 -1.524 0.350 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.426 -3.353 -1.318 1.00 0.14 C ATOM 841 CZ PHE A 52 76.822 -2.375 -0.463 1.00 0.15 C ATOM 0 H PHE A 52 81.014 0.208 -0.606 1.00 0.12 H new ATOM 0 HA PHE A 52 82.861 -1.855 -1.681 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.441 -3.721 -1.109 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.594 -2.825 0.390 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.697 -1.015 0.914 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.305 -4.222 -2.007 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.191 -0.786 0.994 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.806 -3.992 -1.930 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.747 -2.277 -0.430 1.00 0.15 H new ATOM 851 N THR A 53 81.213 -2.168 -3.671 1.00 0.12 N ATOM 852 CA THR A 53 80.426 -2.011 -4.931 1.00 0.11 C ATOM 853 C THR A 53 79.296 -3.042 -4.956 1.00 0.11 C ATOM 854 O THR A 53 79.451 -4.148 -4.468 1.00 0.12 O ATOM 855 CB THR A 53 81.420 -2.275 -6.063 1.00 0.11 C ATOM 856 OG1 THR A 53 82.522 -1.386 -5.940 1.00 0.13 O ATOM 857 CG2 THR A 53 80.732 -2.056 -7.412 1.00 0.11 C ATOM 0 H THR A 53 81.808 -2.996 -3.636 1.00 0.12 H new ATOM 0 HA THR A 53 79.972 -1.024 -5.021 1.00 0.11 H new ATOM 0 HB THR A 53 81.774 -3.304 -6.003 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.161 -1.555 -6.664 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.442 -2.245 -8.217 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.888 -2.739 -7.505 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.375 -1.028 -7.476 1.00 0.11 H new ATOM 865 N ALA A 54 78.139 -2.659 -5.441 1.00 0.11 N ATOM 866 CA ALA A 54 76.965 -3.582 -5.404 1.00 0.13 C ATOM 867 C ALA A 54 76.145 -3.465 -6.688 1.00 0.13 C ATOM 868 O ALA A 54 75.961 -2.388 -7.219 1.00 0.11 O ATOM 869 CB ALA A 54 76.139 -3.124 -4.197 1.00 0.14 C ATOM 0 H ALA A 54 77.959 -1.747 -5.860 1.00 0.11 H new ATOM 0 HA ALA A 54 77.269 -4.625 -5.323 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.255 -3.755 -4.101 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.742 -3.203 -3.292 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.832 -2.088 -4.338 1.00 0.14 H new ATOM 875 N ARG A 55 75.577 -4.560 -7.130 1.00 0.15 N ATOM 876 CA ARG A 55 74.671 -4.518 -8.315 1.00 0.15 C ATOM 877 C ARG A 55 73.224 -4.358 -7.848 1.00 0.15 C ATOM 878 O ARG A 55 72.838 -4.881 -6.818 1.00 0.16 O ATOM 879 CB ARG A 55 74.860 -5.860 -9.017 1.00 0.19 C ATOM 880 CG ARG A 55 74.261 -5.788 -10.423 1.00 0.27 C ATOM 881 CD ARG A 55 74.309 -7.175 -11.070 1.00 0.45 C ATOM 882 NE ARG A 55 73.978 -6.947 -12.513 1.00 0.90 N ATOM 883 CZ ARG A 55 73.527 -7.919 -13.287 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.349 -9.143 -12.837 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.254 -7.660 -14.536 1.00 2.21 N ATOM 0 H ARG A 55 75.704 -5.484 -6.718 1.00 0.15 H new ATOM 0 HA ARG A 55 74.895 -3.684 -8.980 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.920 -6.107 -9.074 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.378 -6.653 -8.445 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.231 -5.434 -10.374 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.816 -5.072 -11.030 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.294 -7.627 -10.959 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.593 -7.852 -10.604 1.00 0.45 H new ATOM 0 HE ARG A 55 74.104 -6.016 -12.909 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.561 -9.365 -11.864 1.00 1.67 H new ATOM 0 HH12 ARG A 55 72.999 -9.870 -13.461 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.389 -6.718 -14.903 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.905 -8.400 -15.146 1.00 2.21 H new ATOM 899 N VAL A 56 72.429 -3.642 -8.598 1.00 0.14 N ATOM 900 CA VAL A 56 71.000 -3.440 -8.208 1.00 0.14 C ATOM 901 C VAL A 56 70.183 -4.679 -8.572 1.00 0.15 C ATOM 902 O VAL A 56 70.162 -5.109 -9.711 1.00 0.17 O ATOM 903 CB VAL A 56 70.541 -2.213 -9.005 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.048 -1.935 -8.754 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.367 -1.001 -8.563 1.00 0.17 C ATOM 0 H VAL A 56 72.707 -3.186 -9.467 1.00 0.14 H new ATOM 0 HA VAL A 56 70.872 -3.287 -7.136 1.00 0.14 H new ATOM 0 HB VAL A 56 70.685 -2.401 -10.069 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.739 -1.061 -9.327 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.460 -2.799 -9.064 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.886 -1.748 -7.692 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.050 -0.121 -9.123 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.216 -0.827 -7.498 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.423 -1.191 -8.754 1.00 0.17 H new ATOM 915 N GLY A 57 69.502 -5.232 -7.607 1.00 0.16 N ATOM 916 CA GLY A 57 68.656 -6.432 -7.862 1.00 0.19 C ATOM 917 C GLY A 57 67.182 -6.036 -7.907 1.00 0.18 C ATOM 918 O GLY A 57 66.833 -4.872 -8.026 1.00 0.16 O ATOM 0 H GLY A 57 69.495 -4.900 -6.642 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.945 -6.896 -8.805 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.818 -7.173 -7.079 1.00 0.19 H new ATOM 922 N GLU A 58 66.316 -7.008 -7.818 1.00 0.21 N ATOM 923 CA GLU A 58 64.848 -6.726 -7.870 1.00 0.22 C ATOM 924 C GLU A 58 64.445 -5.828 -6.697 1.00 0.22 C ATOM 925 O GLU A 58 65.076 -5.823 -5.658 1.00 0.24 O ATOM 926 CB GLU A 58 64.168 -8.094 -7.754 1.00 0.27 C ATOM 927 CG GLU A 58 62.678 -7.958 -8.083 1.00 0.81 C ATOM 928 CD GLU A 58 62.492 -7.765 -9.592 1.00 0.80 C ATOM 929 OE1 GLU A 58 63.321 -8.251 -10.346 1.00 1.28 O ATOM 930 OE2 GLU A 58 61.517 -7.136 -9.970 1.00 1.39 O ATOM 0 H GLU A 58 66.561 -7.992 -7.711 1.00 0.21 H new ATOM 0 HA GLU A 58 64.561 -6.209 -8.786 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.638 -8.804 -8.435 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.293 -8.489 -6.746 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.141 -8.847 -7.752 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.254 -7.111 -7.544 1.00 0.81 H new ATOM 937 N GLN A 59 63.399 -5.059 -6.868 1.00 0.25 N ATOM 938 CA GLN A 59 62.923 -4.137 -5.784 1.00 0.30 C ATOM 939 C GLN A 59 64.046 -3.220 -5.272 1.00 0.23 C ATOM 940 O GLN A 59 63.893 -2.592 -4.238 1.00 0.23 O ATOM 941 CB GLN A 59 62.427 -5.048 -4.656 1.00 0.37 C ATOM 942 CG GLN A 59 61.147 -5.760 -5.099 1.00 0.46 C ATOM 943 CD GLN A 59 60.631 -6.641 -3.961 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.042 -6.153 -3.017 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.828 -7.931 -4.011 1.00 0.81 N ATOM 0 H GLN A 59 62.845 -5.029 -7.724 1.00 0.25 H new ATOM 0 HA GLN A 59 62.141 -3.476 -6.158 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.194 -5.780 -4.402 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.237 -4.461 -3.757 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.389 -5.028 -5.378 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.344 -6.367 -5.982 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.322 -8.341 -4.803 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.487 -8.528 -3.258 1.00 0.81 H new ATOM 954 N GLY A 60 65.097 -3.014 -6.045 1.00 0.19 N ATOM 955 CA GLY A 60 66.121 -1.992 -5.651 1.00 0.16 C ATOM 956 C GLY A 60 66.972 -2.496 -4.480 1.00 0.12 C ATOM 957 O GLY A 60 67.522 -1.706 -3.729 1.00 0.12 O ATOM 0 H GLY A 60 65.284 -3.505 -6.919 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.763 -1.767 -6.503 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.625 -1.062 -5.372 1.00 0.16 H new ATOM 961 N SER A 61 67.016 -3.792 -4.264 1.00 0.14 N ATOM 962 CA SER A 61 67.763 -4.332 -3.085 1.00 0.16 C ATOM 963 C SER A 61 69.269 -4.335 -3.364 1.00 0.15 C ATOM 964 O SER A 61 69.701 -4.599 -4.471 1.00 0.18 O ATOM 965 CB SER A 61 67.250 -5.760 -2.899 1.00 0.21 C ATOM 966 OG SER A 61 67.797 -6.592 -3.913 1.00 1.30 O ATOM 0 H SER A 61 66.568 -4.495 -4.852 1.00 0.14 H new ATOM 0 HA SER A 61 67.607 -3.727 -2.192 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.531 -6.134 -1.915 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.161 -5.777 -2.947 1.00 0.21 H new ATOM 0 HG SER A 61 67.471 -7.509 -3.795 1.00 1.30 H new ATOM 972 N VAL A 62 70.063 -4.128 -2.345 1.00 0.14 N ATOM 973 CA VAL A 62 71.547 -4.210 -2.498 1.00 0.15 C ATOM 974 C VAL A 62 72.153 -4.923 -1.279 1.00 0.14 C ATOM 975 O VAL A 62 71.603 -4.867 -0.195 1.00 0.14 O ATOM 976 CB VAL A 62 72.021 -2.753 -2.591 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.636 -1.987 -1.322 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.541 -2.720 -2.758 1.00 0.21 C ATOM 0 H VAL A 62 69.743 -3.903 -1.403 1.00 0.14 H new ATOM 0 HA VAL A 62 71.852 -4.778 -3.377 1.00 0.15 H new ATOM 0 HB VAL A 62 71.543 -2.282 -3.450 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.978 -0.955 -1.402 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.553 -2.002 -1.203 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.103 -2.458 -0.457 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.877 -1.685 -2.824 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.012 -3.201 -1.900 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.819 -3.251 -3.669 1.00 0.21 H new ATOM 988 N ILE A 63 73.218 -5.666 -1.472 1.00 0.16 N ATOM 989 CA ILE A 63 73.789 -6.473 -0.343 1.00 0.17 C ATOM 990 C ILE A 63 75.146 -5.910 0.095 1.00 0.16 C ATOM 991 O ILE A 63 76.099 -5.913 -0.663 1.00 0.19 O ATOM 992 CB ILE A 63 73.959 -7.896 -0.901 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.618 -8.432 -1.444 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.468 -8.824 0.205 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.555 -8.444 -0.337 1.00 0.34 C ATOM 0 H ILE A 63 73.716 -5.749 -2.359 1.00 0.16 H new ATOM 0 HA ILE A 63 73.140 -6.452 0.532 1.00 0.17 H new ATOM 0 HB ILE A 63 74.680 -7.864 -1.718 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.280 -7.811 -2.273 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.755 -9.440 -1.836 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.588 -9.832 -0.192 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.429 -8.461 0.571 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.750 -8.840 1.025 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.616 -8.825 -0.738 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.887 -9.085 0.480 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.406 -7.430 0.035 1.00 0.34 H new ATOM 1007 N ILE A 64 75.270 -5.563 1.355 1.00 0.15 N ATOM 1008 CA ILE A 64 76.605 -5.157 1.905 1.00 0.16 C ATOM 1009 C ILE A 64 77.452 -6.414 2.182 1.00 0.18 C ATOM 1010 O ILE A 64 76.915 -7.426 2.577 1.00 0.20 O ATOM 1011 CB ILE A 64 76.289 -4.412 3.208 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.421 -3.187 2.903 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.589 -3.954 3.874 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.884 -2.602 4.210 1.00 0.32 C ATOM 0 H ILE A 64 74.503 -5.543 2.028 1.00 0.15 H new ATOM 0 HA ILE A 64 77.173 -4.532 1.216 1.00 0.16 H new ATOM 0 HB ILE A 64 75.754 -5.083 3.880 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.006 -2.437 2.370 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.594 -3.468 2.251 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.357 -3.426 4.799 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.209 -4.822 4.098 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.128 -3.288 3.200 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.267 -1.731 3.992 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.284 -3.352 4.725 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.718 -2.306 4.846 1.00 0.32 H new ATOM 1026 N PRO A 65 78.750 -6.328 1.973 1.00 0.19 N ATOM 1027 CA PRO A 65 79.634 -7.509 2.212 1.00 0.23 C ATOM 1028 C PRO A 65 79.630 -7.900 3.695 1.00 0.26 C ATOM 1029 O PRO A 65 79.766 -7.064 4.569 1.00 0.23 O ATOM 1030 CB PRO A 65 81.009 -7.005 1.775 1.00 0.26 C ATOM 1031 CG PRO A 65 80.916 -5.531 1.966 1.00 0.24 C ATOM 1032 CD PRO A 65 79.535 -5.168 1.514 1.00 0.21 C ATOM 0 HA PRO A 65 79.318 -8.403 1.674 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.806 -7.438 2.379 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.220 -7.263 0.737 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.075 -5.257 3.009 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.673 -5.009 1.381 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.189 -4.237 1.964 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.480 -5.039 0.433 1.00 0.21 H new ATOM 1040 N LYS A 66 79.478 -9.171 3.979 1.00 0.41 N ATOM 1041 CA LYS A 66 79.461 -9.646 5.405 1.00 0.51 C ATOM 1042 C LYS A 66 80.723 -9.193 6.145 1.00 0.44 C ATOM 1043 O LYS A 66 80.695 -8.922 7.331 1.00 0.42 O ATOM 1044 CB LYS A 66 79.412 -11.174 5.323 1.00 0.69 C ATOM 1045 CG LYS A 66 79.255 -11.756 6.729 1.00 0.96 C ATOM 1046 CD LYS A 66 79.267 -13.284 6.654 1.00 1.31 C ATOM 1047 CE LYS A 66 78.949 -13.866 8.034 1.00 1.89 C ATOM 1048 NZ LYS A 66 79.801 -15.082 8.143 1.00 2.62 N ATOM 0 H LYS A 66 79.364 -9.907 3.282 1.00 0.41 H new ATOM 0 HA LYS A 66 78.612 -9.238 5.954 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.580 -11.488 4.693 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.323 -11.553 4.861 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.064 -11.407 7.371 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.322 -11.411 7.175 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.534 -13.629 5.925 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.242 -13.634 6.316 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.176 -13.152 8.826 1.00 1.89 H new ATOM 0 HE3 LYS A 66 77.892 -14.115 8.124 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 79.639 -15.538 9.064 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 79.557 -15.746 7.381 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 80.802 -14.813 8.061 1.00 2.62 H new ATOM 1062 N ALA A 67 81.833 -9.139 5.452 1.00 0.43 N ATOM 1063 CA ALA A 67 83.122 -8.738 6.109 1.00 0.40 C ATOM 1064 C ALA A 67 82.994 -7.339 6.719 1.00 0.30 C ATOM 1065 O ALA A 67 83.492 -7.074 7.801 1.00 0.28 O ATOM 1066 CB ALA A 67 84.166 -8.738 4.989 1.00 0.45 C ATOM 0 H ALA A 67 81.905 -9.355 4.458 1.00 0.43 H new ATOM 0 HA ALA A 67 83.395 -9.416 6.918 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.136 -8.453 5.396 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.233 -9.735 4.554 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.873 -8.025 4.218 1.00 0.45 H new ATOM 1072 N LEU A 68 82.303 -6.456 6.043 1.00 0.27 N ATOM 1073 CA LEU A 68 82.112 -5.076 6.583 1.00 0.23 C ATOM 1074 C LEU A 68 81.053 -5.073 7.685 1.00 0.22 C ATOM 1075 O LEU A 68 81.155 -4.321 8.636 1.00 0.22 O ATOM 1076 CB LEU A 68 81.671 -4.214 5.394 1.00 0.28 C ATOM 1077 CG LEU A 68 82.828 -4.057 4.393 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.369 -3.191 3.218 1.00 1.24 C ATOM 1079 CD2 LEU A 68 84.024 -3.377 5.070 1.00 1.82 C ATOM 0 H LEU A 68 81.863 -6.632 5.140 1.00 0.27 H new ATOM 0 HA LEU A 68 83.028 -4.690 7.030 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.814 -4.673 4.901 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.349 -3.234 5.746 1.00 0.28 H new ATOM 0 HG LEU A 68 83.124 -5.045 4.040 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.188 -3.078 2.507 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.522 -3.667 2.724 1.00 1.24 H new ATOM 0 HD13 LEU A 68 82.069 -2.209 3.585 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.837 -3.271 4.352 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.727 -2.392 5.429 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.360 -3.984 5.911 1.00 1.82 H new ATOM 1091 N ARG A 69 80.053 -5.928 7.592 1.00 0.25 N ATOM 1092 CA ARG A 69 79.009 -5.982 8.673 1.00 0.28 C ATOM 1093 C ARG A 69 79.672 -6.281 10.020 1.00 0.25 C ATOM 1094 O ARG A 69 79.317 -5.717 11.038 1.00 0.26 O ATOM 1095 CB ARG A 69 78.088 -7.161 8.337 1.00 0.35 C ATOM 1096 CG ARG A 69 77.484 -7.047 6.936 1.00 0.46 C ATOM 1097 CD ARG A 69 76.397 -8.122 6.802 1.00 0.56 C ATOM 1098 NE ARG A 69 76.364 -8.500 5.352 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.918 -9.683 4.954 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.442 -10.572 5.800 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.937 -9.971 3.683 1.00 2.30 N ATOM 0 H ARG A 69 79.916 -6.583 6.823 1.00 0.25 H new ATOM 0 HA ARG A 69 78.472 -5.035 8.732 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.651 -8.091 8.413 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.285 -7.213 9.073 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.060 -6.055 6.783 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.253 -7.186 6.176 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.625 -8.987 7.425 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.429 -7.741 7.128 1.00 0.56 H new ATOM 0 HE ARG A 69 76.692 -7.831 4.655 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.408 -10.360 6.797 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.107 -11.473 5.458 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.292 -9.290 3.011 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.597 -10.877 3.360 1.00 2.30 H new ATOM 1115 N ASP A 70 80.561 -7.243 10.031 1.00 0.25 N ATOM 1116 CA ASP A 70 81.180 -7.689 11.317 1.00 0.25 C ATOM 1117 C ASP A 70 82.110 -6.608 11.860 1.00 0.22 C ATOM 1118 O ASP A 70 82.066 -6.276 13.031 1.00 0.22 O ATOM 1119 CB ASP A 70 81.974 -8.954 10.974 1.00 0.27 C ATOM 1120 CG ASP A 70 81.021 -10.053 10.493 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.879 -10.060 10.927 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.451 -10.873 9.697 1.00 1.56 O ATOM 0 H ASP A 70 80.886 -7.740 9.202 1.00 0.25 H new ATOM 0 HA ASP A 70 80.429 -7.880 12.083 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.709 -8.734 10.200 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.526 -9.296 11.850 1.00 0.27 H new ATOM 1127 N VAL A 71 82.952 -6.056 11.020 1.00 0.21 N ATOM 1128 CA VAL A 71 83.911 -5.005 11.494 1.00 0.21 C ATOM 1129 C VAL A 71 83.137 -3.802 12.049 1.00 0.21 C ATOM 1130 O VAL A 71 83.559 -3.169 12.998 1.00 0.22 O ATOM 1131 CB VAL A 71 84.719 -4.613 10.245 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.686 -3.471 10.572 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.514 -5.826 9.757 1.00 0.28 C ATOM 0 H VAL A 71 83.018 -6.286 10.028 1.00 0.21 H new ATOM 0 HA VAL A 71 84.559 -5.359 12.296 1.00 0.21 H new ATOM 0 HB VAL A 71 84.031 -4.281 9.468 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.250 -3.205 9.678 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.122 -2.604 10.916 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.375 -3.790 11.354 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.088 -5.553 8.872 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.194 -6.156 10.543 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.827 -6.635 9.508 1.00 0.28 H new ATOM 1143 N ILE A 72 82.055 -3.448 11.412 1.00 0.21 N ATOM 1144 CA ILE A 72 81.287 -2.235 11.833 1.00 0.22 C ATOM 1145 C ILE A 72 80.323 -2.560 12.990 1.00 0.22 C ATOM 1146 O ILE A 72 79.870 -1.663 13.677 1.00 0.23 O ATOM 1147 CB ILE A 72 80.512 -1.797 10.583 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.494 -1.489 9.447 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.705 -0.532 10.896 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.713 -1.234 8.158 1.00 0.28 C ATOM 0 H ILE A 72 81.665 -3.948 10.613 1.00 0.21 H new ATOM 0 HA ILE A 72 81.946 -1.449 12.201 1.00 0.22 H new ATOM 0 HB ILE A 72 79.840 -2.601 10.282 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.097 -0.617 9.699 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.182 -2.323 9.310 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.155 -0.222 10.007 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.003 -0.739 11.703 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.383 0.266 11.200 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.409 -1.015 7.348 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.129 -2.119 7.905 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.043 -0.386 8.300 1.00 0.28 H new ATOM 1162 N GLY A 73 80.064 -3.824 13.265 1.00 0.21 N ATOM 1163 CA GLY A 73 79.203 -4.177 14.440 1.00 0.21 C ATOM 1164 C GLY A 73 77.727 -3.924 14.109 1.00 0.20 C ATOM 1165 O GLY A 73 76.982 -3.423 14.932 1.00 0.22 O ATOM 0 H GLY A 73 80.411 -4.619 12.728 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.349 -5.224 14.706 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.496 -3.584 15.306 1.00 0.21 H new ATOM 1169 N ILE A 74 77.333 -4.159 12.880 1.00 0.20 N ATOM 1170 CA ILE A 74 75.937 -3.814 12.451 1.00 0.21 C ATOM 1171 C ILE A 74 74.981 -4.983 12.718 1.00 0.21 C ATOM 1172 O ILE A 74 75.332 -6.137 12.552 1.00 0.23 O ATOM 1173 CB ILE A 74 76.037 -3.531 10.944 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.048 -2.399 10.680 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.662 -3.126 10.401 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.625 -1.113 11.404 1.00 0.77 C ATOM 0 H ILE A 74 77.917 -4.575 12.154 1.00 0.20 H new ATOM 0 HA ILE A 74 75.544 -2.960 13.002 1.00 0.21 H new ATOM 0 HB ILE A 74 76.376 -4.435 10.439 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.039 -2.703 11.018 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.120 -2.212 9.609 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.737 -2.926 9.332 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.951 -3.935 10.570 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.318 -2.228 10.915 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.353 -0.327 11.204 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.644 -0.800 11.046 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.577 -1.299 12.477 1.00 0.77 H new ATOM 1188 N LYS A 75 73.784 -4.682 13.163 1.00 0.22 N ATOM 1189 CA LYS A 75 72.796 -5.758 13.485 1.00 0.24 C ATOM 1190 C LYS A 75 71.428 -5.451 12.838 1.00 0.24 C ATOM 1191 O LYS A 75 71.175 -4.328 12.443 1.00 0.23 O ATOM 1192 CB LYS A 75 72.681 -5.745 15.009 1.00 0.29 C ATOM 1193 CG LYS A 75 73.975 -6.281 15.624 1.00 1.19 C ATOM 1194 CD LYS A 75 74.245 -5.568 16.950 1.00 1.71 C ATOM 1195 CE LYS A 75 75.415 -6.247 17.666 1.00 2.52 C ATOM 1196 NZ LYS A 75 74.783 -7.258 18.559 1.00 3.21 N ATOM 0 H LYS A 75 73.448 -3.731 13.317 1.00 0.22 H new ATOM 0 HA LYS A 75 73.111 -6.730 13.105 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.491 -4.731 15.361 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.835 -6.356 15.326 1.00 0.29 H new ATOM 0 HG2 LYS A 75 73.894 -7.356 15.787 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.808 -6.124 14.939 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.475 -4.518 16.770 1.00 1.71 H new ATOM 0 HD3 LYS A 75 73.355 -5.596 17.578 1.00 1.71 H new ATOM 0 HE2 LYS A 75 76.094 -6.717 16.955 1.00 2.52 H new ATOM 0 HE3 LYS A 75 76.001 -5.526 18.237 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 75.522 -7.767 19.085 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.147 -6.780 19.229 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 74.238 -7.934 17.987 1.00 3.21 H new ATOM 1210 N PRO A 76 70.577 -6.459 12.735 1.00 0.25 N ATOM 1211 CA PRO A 76 69.245 -6.250 12.109 1.00 0.26 C ATOM 1212 C PRO A 76 68.441 -5.193 12.876 1.00 0.24 C ATOM 1213 O PRO A 76 68.322 -5.249 14.085 1.00 0.23 O ATOM 1214 CB PRO A 76 68.563 -7.618 12.199 1.00 0.29 C ATOM 1215 CG PRO A 76 69.360 -8.408 13.189 1.00 0.50 C ATOM 1216 CD PRO A 76 70.757 -7.852 13.179 1.00 0.28 C ATOM 0 HA PRO A 76 69.322 -5.889 11.083 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.527 -7.518 12.522 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.547 -8.111 11.227 1.00 0.29 H new ATOM 0 HG2 PRO A 76 68.922 -8.331 14.184 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.365 -9.465 12.923 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.214 -7.901 14.167 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.404 -8.408 12.500 1.00 0.28 H new ATOM 1224 N GLY A 77 67.823 -4.281 12.163 1.00 0.24 N ATOM 1225 CA GLY A 77 66.943 -3.266 12.821 1.00 0.24 C ATOM 1226 C GLY A 77 67.729 -1.990 13.171 1.00 0.22 C ATOM 1227 O GLY A 77 67.171 -1.056 13.719 1.00 0.24 O ATOM 0 H GLY A 77 67.892 -4.197 11.149 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.114 -3.015 12.159 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.510 -3.689 13.727 1.00 0.24 H new ATOM 1231 N GLU A 78 69.008 -1.927 12.855 1.00 0.20 N ATOM 1232 CA GLU A 78 69.805 -0.695 13.164 1.00 0.20 C ATOM 1233 C GLU A 78 69.888 0.209 11.938 1.00 0.18 C ATOM 1234 O GLU A 78 70.086 -0.259 10.833 1.00 0.18 O ATOM 1235 CB GLU A 78 71.190 -1.193 13.565 1.00 0.20 C ATOM 1236 CG GLU A 78 71.242 -1.371 15.086 1.00 0.22 C ATOM 1237 CD GLU A 78 72.670 -1.713 15.530 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.409 -2.261 14.728 1.00 1.07 O ATOM 1239 OE2 GLU A 78 72.998 -1.420 16.668 1.00 1.11 O ATOM 0 H GLU A 78 69.530 -2.675 12.398 1.00 0.20 H new ATOM 0 HA GLU A 78 69.347 -0.105 13.958 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.407 -2.139 13.069 1.00 0.20 H new ATOM 0 HB3 GLU A 78 71.952 -0.483 13.244 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.909 -0.457 15.578 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.559 -2.164 15.390 1.00 0.22 H new ATOM 1246 N VAL A 79 69.657 1.485 12.121 1.00 0.19 N ATOM 1247 CA VAL A 79 69.612 2.418 10.955 1.00 0.18 C ATOM 1248 C VAL A 79 70.989 3.039 10.688 1.00 0.18 C ATOM 1249 O VAL A 79 71.632 3.566 11.574 1.00 0.19 O ATOM 1250 CB VAL A 79 68.588 3.495 11.350 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.057 4.250 12.607 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.413 4.478 10.186 1.00 0.21 C ATOM 0 H VAL A 79 69.497 1.921 13.029 1.00 0.19 H new ATOM 0 HA VAL A 79 69.333 1.905 10.034 1.00 0.18 H new ATOM 0 HB VAL A 79 67.635 3.015 11.572 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.320 5.008 12.872 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.168 3.548 13.433 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.015 4.729 12.407 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.688 5.243 10.462 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.370 4.949 9.961 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.057 3.941 9.307 1.00 0.21 H new ATOM 1262 N ILE A 80 71.394 3.039 9.446 1.00 0.17 N ATOM 1263 CA ILE A 80 72.674 3.691 9.050 1.00 0.17 C ATOM 1264 C ILE A 80 72.399 4.745 7.969 1.00 0.17 C ATOM 1265 O ILE A 80 71.432 4.649 7.234 1.00 0.17 O ATOM 1266 CB ILE A 80 73.560 2.556 8.504 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.882 1.902 7.294 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.782 1.504 9.593 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.828 0.879 6.662 1.00 0.18 C ATOM 0 H ILE A 80 70.882 2.607 8.677 1.00 0.17 H new ATOM 0 HA ILE A 80 73.159 4.202 9.881 1.00 0.17 H new ATOM 0 HB ILE A 80 74.521 2.971 8.199 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.957 1.414 7.603 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.612 2.663 6.562 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.409 0.703 9.202 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.274 1.965 10.450 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.821 1.094 9.904 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.342 0.417 5.803 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.741 1.379 6.338 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.076 0.111 7.395 1.00 0.18 H new ATOM 1281 N GLU A 81 73.299 5.676 7.803 1.00 0.18 N ATOM 1282 CA GLU A 81 73.174 6.666 6.697 1.00 0.18 C ATOM 1283 C GLU A 81 74.031 6.206 5.519 1.00 0.17 C ATOM 1284 O GLU A 81 75.131 5.720 5.703 1.00 0.19 O ATOM 1285 CB GLU A 81 73.714 7.977 7.275 1.00 0.20 C ATOM 1286 CG GLU A 81 73.594 9.087 6.227 1.00 0.21 C ATOM 1287 CD GLU A 81 74.239 10.372 6.758 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.190 10.268 7.517 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.772 11.439 6.394 1.00 1.14 O ATOM 0 H GLU A 81 74.123 5.793 8.393 1.00 0.18 H new ATOM 0 HA GLU A 81 72.151 6.778 6.339 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.157 8.248 8.172 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.756 7.854 7.572 1.00 0.20 H new ATOM 0 HG2 GLU A 81 74.081 8.780 5.301 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.545 9.266 5.991 1.00 0.21 H new ATOM 1296 N VAL A 82 73.465 6.207 4.339 1.00 0.16 N ATOM 1297 CA VAL A 82 74.164 5.604 3.167 1.00 0.17 C ATOM 1298 C VAL A 82 74.468 6.680 2.121 1.00 0.16 C ATOM 1299 O VAL A 82 73.601 7.426 1.708 1.00 0.17 O ATOM 1300 CB VAL A 82 73.180 4.561 2.622 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.767 3.885 1.383 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.924 3.498 3.692 1.00 0.19 C ATOM 0 H VAL A 82 72.546 6.601 4.137 1.00 0.16 H new ATOM 0 HA VAL A 82 75.121 5.156 3.433 1.00 0.17 H new ATOM 0 HB VAL A 82 72.247 5.058 2.357 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.062 3.146 1.003 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.956 4.635 0.615 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.702 3.391 1.647 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.225 2.755 3.307 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.864 3.011 3.953 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.501 3.969 4.579 1.00 0.19 H new ATOM 1312 N LEU A 83 75.701 6.748 1.697 1.00 0.16 N ATOM 1313 CA LEU A 83 76.109 7.759 0.674 1.00 0.17 C ATOM 1314 C LEU A 83 76.550 7.042 -0.604 1.00 0.15 C ATOM 1315 O LEU A 83 77.460 6.239 -0.569 1.00 0.12 O ATOM 1316 CB LEU A 83 77.323 8.496 1.275 1.00 0.21 C ATOM 1317 CG LEU A 83 77.029 8.995 2.697 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.273 9.688 3.253 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.861 9.977 2.661 1.00 0.20 C ATOM 0 H LEU A 83 76.454 6.139 2.019 1.00 0.16 H new ATOM 0 HA LEU A 83 75.292 8.438 0.431 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.184 7.827 1.293 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.589 9.341 0.639 1.00 0.21 H new ATOM 0 HG LEU A 83 76.767 8.152 3.337 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.070 10.045 4.263 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.103 8.982 3.277 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.534 10.533 2.616 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.652 10.331 3.670 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.117 10.824 2.025 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.978 9.478 2.262 1.00 0.20 H new ATOM 1331 N LEU A 84 76.016 7.422 -1.740 1.00 0.16 N ATOM 1332 CA LEU A 84 76.531 6.863 -3.031 1.00 0.15 C ATOM 1333 C LEU A 84 77.818 7.582 -3.434 1.00 0.15 C ATOM 1334 O LEU A 84 77.969 8.768 -3.209 1.00 0.17 O ATOM 1335 CB LEU A 84 75.427 7.110 -4.053 1.00 0.18 C ATOM 1336 CG LEU A 84 74.420 5.958 -3.992 1.00 0.21 C ATOM 1337 CD1 LEU A 84 73.017 6.458 -4.377 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.870 4.857 -4.961 1.00 0.28 C ATOM 0 H LEU A 84 75.251 8.091 -1.830 1.00 0.16 H new ATOM 0 HA LEU A 84 76.769 5.802 -2.955 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.928 8.057 -3.846 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.852 7.186 -5.054 1.00 0.18 H new ATOM 0 HG LEU A 84 74.377 5.562 -2.977 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.310 5.630 -4.330 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.707 7.240 -3.684 1.00 0.20 H new ATOM 0 HD13 LEU A 84 73.039 6.859 -5.390 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.161 4.030 -4.927 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.911 5.258 -5.974 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.858 4.499 -4.672 1.00 0.28 H new ATOM 1350 N LEU A 85 78.770 6.853 -3.960 1.00 0.14 N ATOM 1351 CA LEU A 85 80.089 7.462 -4.303 1.00 0.17 C ATOM 1352 C LEU A 85 80.288 7.511 -5.821 1.00 0.18 C ATOM 1353 O LEU A 85 80.974 8.382 -6.328 1.00 0.24 O ATOM 1354 CB LEU A 85 81.125 6.550 -3.647 1.00 0.22 C ATOM 1355 CG LEU A 85 81.413 7.047 -2.230 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.049 5.922 -1.413 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.375 8.237 -2.293 1.00 1.60 C ATOM 0 H LEU A 85 78.689 5.858 -4.167 1.00 0.14 H new ATOM 0 HA LEU A 85 80.169 8.491 -3.952 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.756 5.525 -3.617 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.043 6.542 -4.235 1.00 0.22 H new ATOM 0 HG LEU A 85 80.481 7.356 -1.758 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.254 6.277 -0.403 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.366 5.074 -1.368 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.981 5.612 -1.885 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.581 8.592 -1.283 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.307 7.927 -2.766 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.923 9.040 -2.875 1.00 1.60 H new ATOM 1369 N GLY A 86 79.751 6.551 -6.542 1.00 0.16 N ATOM 1370 CA GLY A 86 79.980 6.518 -8.029 1.00 0.20 C ATOM 1371 C GLY A 86 79.045 5.511 -8.707 1.00 0.17 C ATOM 1372 O GLY A 86 78.185 4.931 -8.078 1.00 0.15 O ATOM 0 H GLY A 86 79.171 5.797 -6.173 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.816 7.511 -8.448 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.017 6.253 -8.235 1.00 0.20 H new ATOM 1376 N HIS A 87 79.184 5.344 -10.005 1.00 0.20 N ATOM 1377 CA HIS A 87 78.273 4.425 -10.762 1.00 0.19 C ATOM 1378 C HIS A 87 79.030 3.723 -11.902 1.00 0.19 C ATOM 1379 O HIS A 87 79.933 4.286 -12.492 1.00 0.24 O ATOM 1380 CB HIS A 87 77.167 5.333 -11.328 1.00 0.28 C ATOM 1381 CG HIS A 87 77.763 6.395 -12.223 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.011 6.173 -13.568 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.163 7.683 -11.975 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.537 7.304 -14.075 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.652 8.256 -13.146 1.00 1.89 N ATOM 0 H HIS A 87 79.893 5.808 -10.573 1.00 0.20 H new ATOM 0 HA HIS A 87 77.871 3.637 -10.125 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.450 4.735 -11.890 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.620 5.803 -10.511 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.107 8.178 -11.017 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.830 7.426 -15.107 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.019 9.200 -13.268 1.00 1.89 H new ATOM 1393 N TYR A 88 78.600 2.537 -12.274 1.00 0.16 N ATOM 1394 CA TYR A 88 79.211 1.838 -13.445 1.00 0.19 C ATOM 1395 C TYR A 88 78.113 1.231 -14.324 1.00 0.21 C ATOM 1396 O TYR A 88 77.129 0.711 -13.826 1.00 0.17 O ATOM 1397 CB TYR A 88 80.088 0.741 -12.838 1.00 0.21 C ATOM 1398 CG TYR A 88 81.214 1.375 -12.057 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.435 1.731 -12.722 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.064 1.623 -10.651 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.506 2.334 -11.981 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.134 2.226 -9.910 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.356 2.581 -10.575 1.00 0.65 C ATOM 1404 OH TYR A 88 84.386 3.162 -9.863 1.00 0.80 O ATOM 0 H TYR A 88 77.849 2.024 -11.812 1.00 0.16 H new ATOM 0 HA TYR A 88 79.788 2.512 -14.078 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.492 0.103 -12.185 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.490 0.104 -13.626 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.548 1.545 -13.780 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.145 1.355 -10.151 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.425 2.602 -12.481 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.020 2.413 -8.852 1.00 0.70 H new ATOM 0 HH TYR A 88 84.082 3.365 -8.954 1.00 0.80 H new