USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 37 TYR OH : rot -140:sc= 1.04 USER MOD Set 1.2: B 46 LYS NZ :NH3+ -163:sc= 2.3 (180deg=1.11) USER MOD Set 2.1: A 37 TYR OH : rot 17:sc= 2.38 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -141:sc= 1.21 (180deg=0) USER MOD Single : A 3 SER OG : rot 68:sc=-0.00649 USER MOD Single : A 4 THR OG1 : rot -111:sc= -1.69! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.11) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= 0.991 (180deg=-0.0342) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 69:sc= 0.787 USER MOD Single : B 4 THR OG1 : rot -110:sc= -1.44! USER MOD Single : B 9 LYS NZ :NH3+ -171:sc= 0.729 (180deg=0.671) USER MOD Single : B 25 THR OG1 : rot 60:sc= 1.33 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.14) USER MOD Single : B 47 LYS NZ :NH3+ -116:sc=-0.00251 (180deg=-0.0348) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -1.308 -12.306 -3.280 1.00 0.48 N ATOM 43 CA SER A 3 -1.669 -11.010 -3.806 1.00 0.40 C ATOM 44 C SER A 3 -2.485 -11.146 -5.083 1.00 0.40 C ATOM 45 O SER A 3 -3.015 -12.215 -5.395 1.00 0.46 O ATOM 46 CB SER A 3 -0.393 -10.227 -4.083 1.00 0.41 C ATOM 47 OG SER A 3 0.379 -10.116 -2.904 1.00 0.44 O ATOM 0 HA SER A 3 -2.283 -10.484 -3.075 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.187 -10.726 -4.860 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.641 -9.234 -4.458 1.00 0.41 H new ATOM 0 HG SER A 3 0.716 -11.000 -2.649 1.00 0.44 H new ATOM 53 N THR A 4 -2.572 -10.053 -5.811 1.00 0.37 N ATOM 54 CA THR A 4 -3.286 -10.005 -7.068 1.00 0.37 C ATOM 55 C THR A 4 -4.793 -10.143 -6.846 1.00 0.37 C ATOM 56 O THR A 4 -5.443 -11.038 -7.382 1.00 0.48 O ATOM 57 CB THR A 4 -2.785 -11.083 -8.053 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.355 -11.151 -7.995 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.213 -10.757 -9.476 1.00 0.45 C ATOM 0 H THR A 4 -2.145 -9.166 -5.544 1.00 0.37 H new ATOM 0 HA THR A 4 -3.088 -9.030 -7.514 1.00 0.37 H new ATOM 0 HB THR A 4 -3.219 -12.041 -7.768 1.00 0.39 H new ATOM 0 HG1 THR A 4 -0.977 -10.814 -8.834 1.00 0.35 H new ATOM 0 HG21 THR A 4 -2.848 -11.531 -10.152 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.301 -10.713 -9.528 1.00 0.45 H new ATOM 0 HG23 THR A 4 -2.797 -9.793 -9.769 1.00 0.45 H new ATOM 67 N GLY A 5 -5.332 -9.253 -6.024 1.00 0.31 N ATOM 68 CA GLY A 5 -6.756 -9.220 -5.795 1.00 0.30 C ATOM 69 C GLY A 5 -7.125 -9.686 -4.410 1.00 0.28 C ATOM 70 O GLY A 5 -8.174 -10.298 -4.210 1.00 0.32 O ATOM 0 H GLY A 5 -4.801 -8.550 -5.510 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.122 -8.204 -5.943 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.255 -9.849 -6.532 1.00 0.30 H new ATOM 74 N ILE A 6 -6.273 -9.389 -3.447 1.00 0.27 N ATOM 75 CA ILE A 6 -6.531 -9.783 -2.082 1.00 0.28 C ATOM 76 C ILE A 6 -6.965 -8.575 -1.262 1.00 0.27 C ATOM 77 O ILE A 6 -6.402 -7.492 -1.388 1.00 0.40 O ATOM 78 CB ILE A 6 -5.302 -10.456 -1.430 1.00 0.34 C ATOM 79 CG1 ILE A 6 -5.729 -11.140 -0.134 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.185 -9.456 -1.162 1.00 0.35 C ATOM 81 CD1 ILE A 6 -6.568 -12.376 -0.359 1.00 0.49 C ATOM 0 H ILE A 6 -5.401 -8.878 -3.587 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.335 -10.519 -2.099 1.00 0.28 H new ATOM 0 HB ILE A 6 -4.909 -11.198 -2.125 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -4.840 -11.411 0.435 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.293 -10.432 0.474 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.340 -9.969 -0.703 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -3.868 -9.004 -2.102 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.546 -8.679 -0.489 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -6.837 -12.813 0.603 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -7.474 -12.107 -0.902 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -5.999 -13.101 -0.940 1.00 0.49 H new ATOM 93 N VAL A 7 -7.978 -8.752 -0.439 1.00 0.24 N ATOM 94 CA VAL A 7 -8.514 -7.652 0.338 1.00 0.24 C ATOM 95 C VAL A 7 -7.811 -7.555 1.695 1.00 0.27 C ATOM 96 O VAL A 7 -7.670 -8.551 2.409 1.00 0.34 O ATOM 97 CB VAL A 7 -10.040 -7.806 0.536 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.388 -9.123 1.229 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.581 -6.631 1.318 1.00 0.34 C ATOM 0 H VAL A 7 -8.447 -9.646 -0.291 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.331 -6.731 -0.216 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.508 -7.824 -0.448 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.469 -9.196 1.351 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.034 -9.957 0.623 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -9.910 -9.157 2.208 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.656 -6.748 1.453 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.096 -6.588 2.293 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.382 -5.708 0.773 1.00 0.34 H new ATOM 109 N ARG A 8 -7.323 -6.369 2.033 1.00 0.26 N ATOM 110 CA ARG A 8 -6.698 -6.137 3.327 1.00 0.32 C ATOM 111 C ARG A 8 -7.353 -4.960 4.031 1.00 0.27 C ATOM 112 O ARG A 8 -7.957 -4.107 3.384 1.00 0.22 O ATOM 113 CB ARG A 8 -5.202 -5.890 3.163 1.00 0.40 C ATOM 114 CG ARG A 8 -4.369 -7.045 3.670 1.00 0.53 C ATOM 115 CD ARG A 8 -4.538 -8.264 2.789 1.00 0.54 C ATOM 116 NE ARG A 8 -3.802 -9.417 3.300 1.00 0.76 N ATOM 117 CZ ARG A 8 -4.318 -10.640 3.417 1.00 1.02 C ATOM 118 NH1 ARG A 8 -5.595 -10.855 3.124 1.00 1.96 N ATOM 119 NH2 ARG A 8 -3.563 -11.639 3.859 1.00 1.11 N ATOM 0 H ARG A 8 -7.349 -5.550 1.426 1.00 0.26 H new ATOM 0 HA ARG A 8 -6.836 -7.028 3.939 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -4.978 -5.718 2.110 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -4.925 -4.983 3.700 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.319 -6.755 3.698 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -4.661 -7.287 4.692 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.596 -8.514 2.715 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.194 -8.033 1.781 1.00 0.54 H new ATOM 0 HE ARG A 8 -2.833 -9.278 3.585 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -6.183 -10.083 2.809 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -5.988 -11.792 3.214 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.589 -11.470 4.109 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -3.957 -12.575 3.949 1.00 1.11 H new ATOM 133 N LYS A 9 -7.234 -4.918 5.350 1.00 0.31 N ATOM 134 CA LYS A 9 -7.853 -3.865 6.142 1.00 0.27 C ATOM 135 C LYS A 9 -6.861 -2.723 6.366 1.00 0.23 C ATOM 136 O LYS A 9 -5.648 -2.920 6.253 1.00 0.26 O ATOM 137 CB LYS A 9 -8.309 -4.427 7.495 1.00 0.30 C ATOM 138 CG LYS A 9 -9.299 -3.537 8.233 1.00 1.16 C ATOM 139 CD LYS A 9 -10.699 -4.132 8.227 1.00 0.84 C ATOM 140 CE LYS A 9 -11.212 -4.367 6.814 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.496 -5.118 6.809 1.00 0.73 N ATOM 0 H LYS A 9 -6.712 -5.604 5.896 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.719 -3.483 5.602 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -8.764 -5.405 7.336 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -7.434 -4.581 8.126 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -8.967 -3.397 9.262 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.320 -2.551 7.768 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -10.694 -5.076 8.773 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -11.380 -3.463 8.753 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -11.350 -3.409 6.314 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.466 -4.920 6.244 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.812 -5.258 5.828 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -12.359 -6.043 7.264 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -13.216 -4.579 7.331 1.00 0.73 H new ATOM 155 N VAL A 10 -7.376 -1.533 6.668 1.00 0.20 N ATOM 156 CA VAL A 10 -6.528 -0.402 7.012 1.00 0.21 C ATOM 157 C VAL A 10 -6.150 -0.493 8.499 1.00 0.24 C ATOM 158 O VAL A 10 -5.955 -1.587 9.033 1.00 0.44 O ATOM 159 CB VAL A 10 -7.236 0.958 6.734 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.223 2.042 6.399 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.278 0.839 5.630 1.00 0.20 C ATOM 0 H VAL A 10 -8.376 -1.331 6.681 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.635 -0.443 6.388 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.756 1.242 7.649 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.744 2.981 6.209 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.537 2.170 7.236 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.661 1.753 5.511 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.748 1.809 5.467 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.796 0.510 4.709 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -9.036 0.113 5.922 1.00 0.20 H new ATOM 171 N ASP A 11 -6.068 0.647 9.169 1.00 0.24 N ATOM 172 CA ASP A 11 -5.751 0.685 10.593 1.00 0.23 C ATOM 173 C ASP A 11 -6.332 1.941 11.205 1.00 0.24 C ATOM 174 O ASP A 11 -7.195 1.884 12.075 1.00 0.24 O ATOM 175 CB ASP A 11 -4.237 0.654 10.824 1.00 0.40 C ATOM 176 CG ASP A 11 -3.860 0.803 12.290 1.00 0.61 C ATOM 177 OD1 ASP A 11 -4.571 0.251 13.158 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.837 1.457 12.576 1.00 1.32 O ATOM 0 H ASP A 11 -6.217 1.564 8.748 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.186 -0.196 11.066 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.836 -0.286 10.444 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.770 1.455 10.251 1.00 0.40 H new ATOM 183 N GLU A 12 -5.850 3.074 10.725 1.00 0.30 N ATOM 184 CA GLU A 12 -6.361 4.372 11.129 1.00 0.33 C ATOM 185 C GLU A 12 -6.048 5.400 10.063 1.00 0.31 C ATOM 186 O GLU A 12 -6.841 5.634 9.151 1.00 0.35 O ATOM 187 CB GLU A 12 -5.764 4.823 12.469 1.00 0.39 C ATOM 188 CG GLU A 12 -4.370 4.280 12.739 1.00 0.43 C ATOM 189 CD GLU A 12 -3.818 4.725 14.073 1.00 0.56 C ATOM 190 OE1 GLU A 12 -4.167 4.106 15.099 1.00 1.39 O ATOM 191 OE2 GLU A 12 -3.035 5.698 14.103 1.00 1.08 O ATOM 0 H GLU A 12 -5.093 3.120 10.043 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.440 4.282 11.253 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.729 5.912 12.491 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.427 4.509 13.275 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.397 3.191 12.707 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.698 4.606 11.945 1.00 0.43 H new ATOM 198 N LEU A 13 -4.852 5.948 10.158 1.00 0.31 N ATOM 199 CA LEU A 13 -4.426 7.040 9.307 1.00 0.32 C ATOM 200 C LEU A 13 -4.120 6.566 7.889 1.00 0.35 C ATOM 201 O LEU A 13 -4.027 7.376 6.967 1.00 0.60 O ATOM 202 CB LEU A 13 -3.203 7.728 9.924 1.00 0.37 C ATOM 203 CG LEU A 13 -1.859 7.001 9.755 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.714 7.922 10.140 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.806 5.730 10.592 1.00 0.43 C ATOM 0 H LEU A 13 -4.147 5.647 10.830 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.245 7.756 9.236 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.112 8.722 9.487 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.388 7.864 10.990 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.761 6.720 8.706 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.233 7.397 10.016 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.726 8.804 9.500 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -0.827 8.227 11.180 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.843 5.240 10.449 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -1.933 5.982 11.645 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.605 5.056 10.282 1.00 0.43 H new ATOM 217 N GLY A 14 -3.969 5.256 7.712 1.00 0.20 N ATOM 218 CA GLY A 14 -3.713 4.732 6.385 1.00 0.24 C ATOM 219 C GLY A 14 -2.944 3.429 6.374 1.00 0.22 C ATOM 220 O GLY A 14 -3.001 2.710 5.388 1.00 0.34 O ATOM 0 H GLY A 14 -4.019 4.558 8.454 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.665 4.584 5.874 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.157 5.475 5.814 1.00 0.24 H new ATOM 224 N ARG A 15 -2.229 3.112 7.455 1.00 0.15 N ATOM 225 CA ARG A 15 -1.372 1.921 7.470 1.00 0.17 C ATOM 226 C ARG A 15 -2.134 0.665 7.065 1.00 0.16 C ATOM 227 O ARG A 15 -2.951 0.144 7.824 1.00 0.18 O ATOM 228 CB ARG A 15 -0.725 1.706 8.837 1.00 0.20 C ATOM 229 CG ARG A 15 0.786 1.648 8.764 1.00 0.23 C ATOM 230 CD ARG A 15 1.413 1.660 10.141 1.00 0.29 C ATOM 231 NE ARG A 15 2.855 1.875 10.086 1.00 0.59 N ATOM 232 CZ ARG A 15 3.553 2.454 11.061 1.00 0.78 C ATOM 233 NH1 ARG A 15 2.947 2.797 12.193 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.858 2.658 10.910 1.00 1.26 N ATOM 0 H ARG A 15 -2.224 3.653 8.320 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.588 2.103 6.735 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.022 2.514 9.506 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.100 0.779 9.270 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.090 0.746 8.233 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.156 2.497 8.188 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.953 2.445 10.742 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.207 0.714 10.641 1.00 0.29 H new ATOM 0 HE ARG A 15 3.357 1.564 9.254 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.950 2.617 12.313 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.479 3.241 12.942 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.323 2.371 10.048 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.395 3.101 11.656 1.00 1.26 H new ATOM 248 N VAL A 16 -1.860 0.200 5.858 1.00 0.16 N ATOM 249 CA VAL A 16 -2.479 -1.007 5.335 1.00 0.16 C ATOM 250 C VAL A 16 -1.495 -2.166 5.436 1.00 0.16 C ATOM 251 O VAL A 16 -0.288 -1.990 5.240 1.00 0.15 O ATOM 252 CB VAL A 16 -2.936 -0.815 3.870 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.751 -0.537 2.963 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.720 -2.027 3.392 1.00 0.97 C ATOM 0 H VAL A 16 -1.205 0.646 5.215 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.365 -1.228 5.930 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.595 0.052 3.828 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -2.100 -0.406 1.939 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.245 0.370 3.293 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -1.056 -1.376 3.005 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -4.033 -1.874 2.359 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -3.090 -2.915 3.452 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.599 -2.163 4.021 1.00 0.97 H new ATOM 264 N VAL A 17 -2.004 -3.339 5.770 1.00 0.17 N ATOM 265 CA VAL A 17 -1.154 -4.494 6.002 1.00 0.18 C ATOM 266 C VAL A 17 -0.715 -5.139 4.686 1.00 0.19 C ATOM 267 O VAL A 17 -1.477 -5.878 4.058 1.00 0.25 O ATOM 268 CB VAL A 17 -1.873 -5.547 6.867 1.00 0.21 C ATOM 269 CG1 VAL A 17 -0.952 -6.716 7.177 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.398 -4.919 8.149 1.00 0.22 C ATOM 0 H VAL A 17 -3.002 -3.517 5.887 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.271 -4.136 6.531 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.722 -5.929 6.300 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.483 -7.445 7.789 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.634 -7.186 6.246 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.077 -6.356 7.719 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -2.902 -5.679 8.746 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.566 -4.504 8.718 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.102 -4.124 7.903 1.00 0.22 H new ATOM 280 N ILE A 18 0.506 -4.837 4.267 1.00 0.17 N ATOM 281 CA ILE A 18 1.090 -5.448 3.082 1.00 0.21 C ATOM 282 C ILE A 18 1.380 -6.926 3.328 1.00 0.17 C ATOM 283 O ILE A 18 1.908 -7.291 4.379 1.00 0.18 O ATOM 284 CB ILE A 18 2.402 -4.741 2.679 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.145 -3.268 2.358 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.047 -5.439 1.495 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.232 -3.045 1.171 1.00 0.62 C ATOM 0 H ILE A 18 1.116 -4.166 4.735 1.00 0.17 H new ATOM 0 HA ILE A 18 0.367 -5.345 2.273 1.00 0.21 H new ATOM 0 HB ILE A 18 3.089 -4.794 3.523 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.709 -2.787 3.234 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.099 -2.777 2.166 1.00 0.36 H new ATOM 0 HG21 ILE A 18 3.970 -4.924 1.228 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.271 -6.472 1.760 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.363 -5.422 0.646 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.100 -1.975 1.009 1.00 0.62 H new ATOM 0 HD12 ILE A 18 1.675 -3.495 0.282 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.263 -3.505 1.366 1.00 0.62 H new ATOM 299 N PRO A 19 0.997 -7.795 2.377 1.00 0.22 N ATOM 300 CA PRO A 19 1.326 -9.222 2.412 1.00 0.24 C ATOM 301 C PRO A 19 2.789 -9.494 2.741 1.00 0.23 C ATOM 302 O PRO A 19 3.689 -8.803 2.258 1.00 0.20 O ATOM 303 CB PRO A 19 1.044 -9.671 0.992 1.00 0.28 C ATOM 304 CG PRO A 19 -0.073 -8.795 0.553 1.00 0.31 C ATOM 305 CD PRO A 19 0.170 -7.460 1.203 1.00 0.29 C ATOM 0 HA PRO A 19 0.757 -9.740 3.184 1.00 0.24 H new ATOM 0 HB2 PRO A 19 1.920 -9.551 0.354 1.00 0.28 H new ATOM 0 HB3 PRO A 19 0.764 -10.724 0.954 1.00 0.28 H new ATOM 0 HG2 PRO A 19 -0.093 -8.703 -0.533 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -1.035 -9.208 0.856 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.686 -6.774 0.531 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.764 -6.979 1.494 1.00 0.29 H new ATOM 313 N ILE A 20 3.023 -10.523 3.539 1.00 0.28 N ATOM 314 CA ILE A 20 4.383 -10.906 3.898 1.00 0.30 C ATOM 315 C ILE A 20 5.156 -11.337 2.649 1.00 0.29 C ATOM 316 O ILE A 20 6.360 -11.139 2.557 1.00 0.28 O ATOM 317 CB ILE A 20 4.414 -12.036 4.953 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.861 -12.337 5.359 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.728 -13.289 4.421 1.00 0.41 C ATOM 320 CD1 ILE A 20 5.989 -13.359 6.466 1.00 0.86 C ATOM 0 H ILE A 20 2.295 -11.107 3.950 1.00 0.28 H new ATOM 0 HA ILE A 20 4.859 -10.031 4.341 1.00 0.30 H new ATOM 0 HB ILE A 20 3.868 -11.705 5.836 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.406 -12.693 4.485 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.339 -11.410 5.677 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.761 -14.072 5.179 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.690 -13.061 4.180 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.242 -13.632 3.523 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.043 -13.517 6.695 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.474 -12.998 7.356 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.543 -14.300 6.146 1.00 0.86 H new ATOM 332 N GLU A 21 4.434 -11.883 1.677 1.00 0.32 N ATOM 333 CA GLU A 21 5.024 -12.312 0.412 1.00 0.33 C ATOM 334 C GLU A 21 5.460 -11.099 -0.402 1.00 0.29 C ATOM 335 O GLU A 21 6.407 -11.165 -1.185 1.00 0.29 O ATOM 336 CB GLU A 21 3.993 -13.120 -0.380 1.00 0.39 C ATOM 337 CG GLU A 21 2.798 -12.285 -0.817 1.00 0.50 C ATOM 338 CD GLU A 21 1.669 -13.106 -1.399 1.00 0.99 C ATOM 339 OE1 GLU A 21 1.083 -13.920 -0.661 1.00 1.49 O ATOM 340 OE2 GLU A 21 1.369 -12.941 -2.600 1.00 1.73 O ATOM 0 H GLU A 21 3.428 -12.041 1.742 1.00 0.32 H new ATOM 0 HA GLU A 21 5.897 -12.932 0.616 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.472 -13.548 -1.260 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.644 -13.953 0.230 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.424 -11.724 0.039 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.126 -11.556 -1.558 1.00 0.50 H new ATOM 347 N LEU A 22 4.803 -9.973 -0.160 1.00 0.26 N ATOM 348 CA LEU A 22 5.047 -8.782 -0.940 1.00 0.24 C ATOM 349 C LEU A 22 6.262 -8.060 -0.400 1.00 0.21 C ATOM 350 O LEU A 22 7.188 -7.743 -1.142 1.00 0.22 O ATOM 351 CB LEU A 22 3.823 -7.874 -0.930 1.00 0.24 C ATOM 352 CG LEU A 22 2.679 -8.332 -1.830 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.725 -7.186 -2.105 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.217 -8.917 -3.127 1.00 0.44 C ATOM 0 H LEU A 22 4.099 -9.866 0.571 1.00 0.26 H new ATOM 0 HA LEU A 22 5.240 -9.066 -1.974 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.454 -7.797 0.093 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.128 -6.873 -1.235 1.00 0.24 H new ATOM 0 HG LEU A 22 2.126 -9.115 -1.312 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.916 -7.532 -2.748 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.311 -6.824 -1.164 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.262 -6.377 -2.600 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.385 -9.237 -3.754 1.00 0.44 H new ATOM 0 HD22 LEU A 22 3.798 -8.160 -3.654 1.00 0.44 H new ATOM 0 HD23 LEU A 22 3.854 -9.773 -2.904 1.00 0.44 H new ATOM 366 N ARG A 23 6.293 -7.882 0.913 1.00 0.20 N ATOM 367 CA ARG A 23 7.425 -7.238 1.557 1.00 0.19 C ATOM 368 C ARG A 23 8.659 -8.110 1.348 1.00 0.19 C ATOM 369 O ARG A 23 9.769 -7.610 1.188 1.00 0.20 O ATOM 370 CB ARG A 23 7.136 -7.017 3.054 1.00 0.22 C ATOM 371 CG ARG A 23 6.604 -8.255 3.763 1.00 0.32 C ATOM 372 CD ARG A 23 7.669 -8.947 4.600 1.00 0.63 C ATOM 373 NE ARG A 23 7.736 -8.415 5.962 1.00 0.95 N ATOM 374 CZ ARG A 23 8.260 -9.083 6.992 1.00 1.24 C ATOM 375 NH1 ARG A 23 8.844 -10.259 6.794 1.00 1.52 N ATOM 376 NH2 ARG A 23 8.221 -8.565 8.215 1.00 1.92 N ATOM 0 H ARG A 23 5.551 -8.173 1.549 1.00 0.20 H new ATOM 0 HA ARG A 23 7.603 -6.257 1.116 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.052 -6.692 3.548 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.412 -6.209 3.160 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.769 -7.972 4.404 1.00 0.32 H new ATOM 0 HG3 ARG A 23 6.215 -8.955 3.023 1.00 0.32 H new ATOM 0 HD2 ARG A 23 7.459 -10.016 4.640 1.00 0.63 H new ATOM 0 HD3 ARG A 23 8.640 -8.830 4.118 1.00 0.63 H new ATOM 0 HE ARG A 23 7.361 -7.482 6.134 1.00 0.95 H new ATOM 0 HH11 ARG A 23 8.892 -10.653 5.854 1.00 1.52 H new ATOM 0 HH12 ARG A 23 9.244 -10.769 7.582 1.00 1.52 H new ATOM 0 HH21 ARG A 23 7.790 -7.654 8.369 1.00 1.92 H new ATOM 0 HH22 ARG A 23 8.623 -9.079 8.999 1.00 1.92 H new ATOM 390 N ARG A 24 8.427 -9.426 1.328 1.00 0.21 N ATOM 391 CA ARG A 24 9.444 -10.418 0.998 1.00 0.23 C ATOM 392 C ARG A 24 9.975 -10.230 -0.422 1.00 0.23 C ATOM 393 O ARG A 24 11.181 -10.308 -0.655 1.00 0.23 O ATOM 394 CB ARG A 24 8.831 -11.801 1.155 1.00 0.29 C ATOM 395 CG ARG A 24 9.727 -12.951 0.759 1.00 0.38 C ATOM 396 CD ARG A 24 8.930 -14.241 0.705 1.00 0.90 C ATOM 397 NE ARG A 24 8.492 -14.676 2.030 1.00 1.56 N ATOM 398 CZ ARG A 24 7.611 -15.654 2.240 1.00 2.17 C ATOM 399 NH1 ARG A 24 7.101 -16.326 1.215 1.00 2.19 N ATOM 400 NH2 ARG A 24 7.246 -15.964 3.477 1.00 2.94 N ATOM 0 H ARG A 24 7.517 -9.833 1.543 1.00 0.21 H new ATOM 0 HA ARG A 24 10.291 -10.299 1.673 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.535 -11.934 2.196 1.00 0.29 H new ATOM 0 HB3 ARG A 24 7.921 -11.848 0.557 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.178 -12.752 -0.213 1.00 0.38 H new ATOM 0 HG3 ARG A 24 10.543 -13.049 1.475 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.059 -14.101 0.064 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.538 -15.023 0.251 1.00 0.90 H new ATOM 0 HE ARG A 24 8.884 -14.202 2.844 1.00 1.56 H new ATOM 0 HH11 ARG A 24 7.383 -16.095 0.262 1.00 2.19 H new ATOM 0 HH12 ARG A 24 6.427 -17.074 1.380 1.00 2.19 H new ATOM 0 HH21 ARG A 24 7.639 -15.454 4.268 1.00 2.94 H new ATOM 0 HH22 ARG A 24 6.572 -16.712 3.637 1.00 2.94 H new ATOM 414 N THR A 25 9.074 -9.973 -1.369 1.00 0.24 N ATOM 415 CA THR A 25 9.466 -9.717 -2.753 1.00 0.26 C ATOM 416 C THR A 25 10.351 -8.476 -2.846 1.00 0.23 C ATOM 417 O THR A 25 11.272 -8.410 -3.662 1.00 0.24 O ATOM 418 CB THR A 25 8.226 -9.519 -3.650 1.00 0.29 C ATOM 419 OG1 THR A 25 7.422 -10.707 -3.644 1.00 0.34 O ATOM 420 CG2 THR A 25 8.633 -9.184 -5.077 1.00 0.33 C ATOM 0 H THR A 25 8.068 -9.937 -1.203 1.00 0.24 H new ATOM 0 HA THR A 25 10.025 -10.586 -3.099 1.00 0.26 H new ATOM 0 HB THR A 25 7.648 -8.686 -3.251 1.00 0.29 H new ATOM 0 HG1 THR A 25 6.878 -10.730 -2.829 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.740 -9.050 -5.688 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.218 -8.264 -5.082 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.233 -9.998 -5.485 1.00 0.33 H new ATOM 428 N LEU A 26 10.085 -7.508 -1.985 1.00 0.20 N ATOM 429 CA LEU A 26 10.800 -6.243 -2.022 1.00 0.20 C ATOM 430 C LEU A 26 12.038 -6.328 -1.148 1.00 0.20 C ATOM 431 O LEU A 26 12.891 -5.442 -1.172 1.00 0.22 O ATOM 432 CB LEU A 26 9.905 -5.108 -1.527 1.00 0.20 C ATOM 433 CG LEU A 26 8.413 -5.286 -1.802 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.620 -4.132 -1.221 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.132 -5.448 -3.292 1.00 0.26 C ATOM 0 H LEU A 26 9.379 -7.574 -1.252 1.00 0.20 H new ATOM 0 HA LEU A 26 11.092 -6.039 -3.052 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.049 -4.996 -0.452 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.235 -4.178 -1.991 1.00 0.20 H new ATOM 0 HG LEU A 26 8.092 -6.204 -1.310 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.560 -4.278 -1.428 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.777 -4.089 -0.143 1.00 0.22 H new ATOM 0 HD13 LEU A 26 7.952 -3.198 -1.674 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.061 -5.572 -3.449 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.477 -4.562 -3.826 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.658 -6.326 -3.668 1.00 0.26 H new ATOM 447 N GLY A 27 12.130 -7.418 -0.394 1.00 0.20 N ATOM 448 CA GLY A 27 13.188 -7.572 0.584 1.00 0.23 C ATOM 449 C GLY A 27 13.164 -6.485 1.642 1.00 0.24 C ATOM 450 O GLY A 27 14.210 -6.078 2.146 1.00 0.28 O ATOM 0 H GLY A 27 11.483 -8.205 -0.445 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.094 -8.545 1.066 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.152 -7.559 0.076 1.00 0.23 H new ATOM 454 N ILE A 28 11.972 -6.011 1.975 1.00 0.24 N ATOM 455 CA ILE A 28 11.829 -4.957 2.966 1.00 0.25 C ATOM 456 C ILE A 28 11.120 -5.460 4.212 1.00 0.22 C ATOM 457 O ILE A 28 10.520 -6.539 4.210 1.00 0.22 O ATOM 458 CB ILE A 28 11.037 -3.752 2.430 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.613 -4.172 2.058 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.745 -3.129 1.235 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.654 -3.011 1.983 1.00 0.43 C ATOM 0 H ILE A 28 11.093 -6.339 1.574 1.00 0.24 H new ATOM 0 HA ILE A 28 12.845 -4.643 3.207 1.00 0.25 H new ATOM 0 HB ILE A 28 10.980 -3.001 3.218 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.631 -4.683 1.095 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.249 -4.890 2.793 1.00 0.32 H new ATOM 0 HG21 ILE A 28 11.167 -2.279 0.872 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.737 -2.792 1.535 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.838 -3.870 0.441 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.662 -3.375 1.715 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.609 -2.513 2.952 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.997 -2.304 1.228 1.00 0.43 H new ATOM 473 N ALA A 29 11.186 -4.653 5.261 1.00 0.22 N ATOM 474 CA ALA A 29 10.504 -4.929 6.517 1.00 0.23 C ATOM 475 C ALA A 29 10.603 -3.728 7.430 1.00 0.23 C ATOM 476 O ALA A 29 11.543 -2.951 7.329 1.00 0.26 O ATOM 477 CB ALA A 29 11.094 -6.155 7.202 1.00 0.25 C ATOM 0 H ALA A 29 11.718 -3.783 5.265 1.00 0.22 H new ATOM 0 HA ALA A 29 9.455 -5.133 6.300 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.566 -6.338 8.138 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.989 -7.022 6.550 1.00 0.25 H new ATOM 0 HB3 ALA A 29 12.150 -5.983 7.409 1.00 0.25 H new ATOM 483 N GLU A 30 9.604 -3.596 8.298 1.00 0.25 N ATOM 484 CA GLU A 30 9.533 -2.566 9.329 1.00 0.28 C ATOM 485 C GLU A 30 10.202 -1.228 8.987 1.00 0.30 C ATOM 486 O GLU A 30 9.561 -0.322 8.464 1.00 0.32 O ATOM 487 CB GLU A 30 10.060 -3.114 10.649 1.00 0.32 C ATOM 488 CG GLU A 30 11.254 -4.041 10.532 1.00 0.35 C ATOM 489 CD GLU A 30 11.672 -4.593 11.877 1.00 0.49 C ATOM 490 OE1 GLU A 30 12.255 -3.840 12.679 1.00 1.22 O ATOM 491 OE2 GLU A 30 11.400 -5.782 12.146 1.00 1.10 O ATOM 0 H GLU A 30 8.798 -4.221 8.303 1.00 0.25 H new ATOM 0 HA GLU A 30 8.474 -2.319 9.409 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.333 -2.275 11.289 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.253 -3.648 11.150 1.00 0.32 H new ATOM 0 HG2 GLU A 30 11.010 -4.865 9.861 1.00 0.35 H new ATOM 0 HG3 GLU A 30 12.090 -3.503 10.085 1.00 0.35 H new ATOM 498 N LYS A 31 11.478 -1.105 9.303 1.00 0.32 N ATOM 499 CA LYS A 31 12.184 0.165 9.195 1.00 0.38 C ATOM 500 C LYS A 31 12.602 0.512 7.759 1.00 0.35 C ATOM 501 O LYS A 31 13.303 1.501 7.544 1.00 0.40 O ATOM 502 CB LYS A 31 13.388 0.166 10.115 1.00 0.47 C ATOM 503 CG LYS A 31 13.037 -0.128 11.566 1.00 0.57 C ATOM 504 CD LYS A 31 12.109 0.933 12.136 1.00 0.67 C ATOM 505 CE LYS A 31 10.653 0.483 12.120 1.00 0.67 C ATOM 506 NZ LYS A 31 9.752 1.467 12.775 1.00 0.85 N ATOM 0 H LYS A 31 12.054 -1.876 9.640 1.00 0.32 H new ATOM 0 HA LYS A 31 11.483 0.942 9.501 1.00 0.38 H new ATOM 0 HB2 LYS A 31 14.105 -0.576 9.764 1.00 0.47 H new ATOM 0 HB3 LYS A 31 13.880 1.137 10.057 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.561 -1.106 11.636 1.00 0.57 H new ATOM 0 HG3 LYS A 31 13.949 -0.174 12.161 1.00 0.57 H new ATOM 0 HD2 LYS A 31 12.406 1.164 13.159 1.00 0.67 H new ATOM 0 HD3 LYS A 31 12.211 1.852 11.559 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.333 0.331 11.089 1.00 0.67 H new ATOM 0 HE3 LYS A 31 10.566 -0.479 12.626 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 8.773 1.118 12.740 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 10.039 1.594 13.767 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 9.813 2.378 12.277 1.00 0.85 H new ATOM 520 N ASP A 32 12.173 -0.277 6.777 1.00 0.27 N ATOM 521 CA ASP A 32 12.513 0.005 5.383 1.00 0.24 C ATOM 522 C ASP A 32 11.497 0.954 4.769 1.00 0.22 C ATOM 523 O ASP A 32 10.507 1.316 5.407 1.00 0.23 O ATOM 524 CB ASP A 32 12.607 -1.274 4.549 1.00 0.23 C ATOM 525 CG ASP A 32 13.878 -2.053 4.816 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.946 -1.663 4.292 1.00 1.54 O ATOM 527 OD2 ASP A 32 13.817 -3.063 5.544 1.00 0.94 O ATOM 0 H ASP A 32 11.596 -1.107 6.916 1.00 0.27 H new ATOM 0 HA ASP A 32 13.495 0.478 5.378 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.746 -1.907 4.763 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.558 -1.017 3.491 1.00 0.23 H new ATOM 532 N ALA A 33 11.748 1.366 3.538 1.00 0.21 N ATOM 533 CA ALA A 33 10.894 2.341 2.883 1.00 0.20 C ATOM 534 C ALA A 33 10.354 1.847 1.548 1.00 0.20 C ATOM 535 O ALA A 33 10.955 1.000 0.879 1.00 0.21 O ATOM 536 CB ALA A 33 11.656 3.635 2.687 1.00 0.23 C ATOM 0 H ALA A 33 12.533 1.042 2.974 1.00 0.21 H new ATOM 0 HA ALA A 33 10.034 2.506 3.532 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.013 4.365 2.195 1.00 0.23 H new ATOM 0 HB2 ALA A 33 11.970 4.023 3.656 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.534 3.450 2.068 1.00 0.23 H new ATOM 542 N LEU A 34 9.211 2.401 1.181 1.00 0.20 N ATOM 543 CA LEU A 34 8.559 2.129 -0.086 1.00 0.20 C ATOM 544 C LEU A 34 8.372 3.448 -0.819 1.00 0.20 C ATOM 545 O LEU A 34 8.305 4.505 -0.194 1.00 0.22 O ATOM 546 CB LEU A 34 7.180 1.489 0.128 1.00 0.23 C ATOM 547 CG LEU A 34 7.158 0.114 0.798 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.311 0.245 2.306 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.869 -0.614 0.450 1.00 0.67 C ATOM 0 H LEU A 34 8.702 3.064 1.766 1.00 0.20 H new ATOM 0 HA LEU A 34 9.177 1.439 -0.660 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.578 2.170 0.729 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.690 1.403 -0.842 1.00 0.23 H new ATOM 0 HG LEU A 34 8.001 -0.468 0.425 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.292 -0.745 2.761 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.259 0.732 2.535 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.491 0.843 2.704 1.00 1.15 H new ATOM 0 HD21 LEU A 34 5.862 -1.592 0.931 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.016 -0.032 0.799 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.803 -0.741 -0.631 1.00 0.67 H new ATOM 561 N GLU A 35 8.284 3.379 -2.125 1.00 0.19 N ATOM 562 CA GLU A 35 8.057 4.545 -2.948 1.00 0.21 C ATOM 563 C GLU A 35 6.617 4.525 -3.466 1.00 0.20 C ATOM 564 O GLU A 35 6.276 3.744 -4.360 1.00 0.21 O ATOM 565 CB GLU A 35 9.049 4.543 -4.110 1.00 0.25 C ATOM 566 CG GLU A 35 9.553 5.923 -4.481 1.00 0.59 C ATOM 567 CD GLU A 35 10.653 5.867 -5.520 1.00 0.56 C ATOM 568 OE1 GLU A 35 11.822 5.654 -5.142 1.00 1.19 O ATOM 569 OE2 GLU A 35 10.349 6.013 -6.724 1.00 1.28 O ATOM 0 H GLU A 35 8.368 2.509 -2.651 1.00 0.19 H new ATOM 0 HA GLU A 35 8.206 5.453 -2.363 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.899 3.913 -3.849 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.574 4.093 -4.981 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.725 6.521 -4.862 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.924 6.425 -3.588 1.00 0.59 H new ATOM 576 N ILE A 36 5.777 5.358 -2.874 1.00 0.21 N ATOM 577 CA ILE A 36 4.352 5.381 -3.176 1.00 0.23 C ATOM 578 C ILE A 36 4.033 6.360 -4.305 1.00 0.25 C ATOM 579 O ILE A 36 4.336 7.550 -4.225 1.00 0.27 O ATOM 580 CB ILE A 36 3.519 5.767 -1.922 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.417 4.607 -0.927 1.00 0.25 C ATOM 582 CG2 ILE A 36 2.123 6.243 -2.308 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.733 4.224 -0.301 1.00 0.25 C ATOM 0 H ILE A 36 6.062 6.038 -2.170 1.00 0.21 H new ATOM 0 HA ILE A 36 4.083 4.374 -3.494 1.00 0.23 H new ATOM 0 HB ILE A 36 4.047 6.588 -1.436 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.716 4.878 -0.138 1.00 0.25 H new ATOM 0 HG13 ILE A 36 3.002 3.738 -1.438 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.566 6.505 -1.408 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.202 7.118 -2.953 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.601 5.447 -2.839 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.579 3.396 0.391 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.432 3.920 -1.080 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.141 5.078 0.240 1.00 0.25 H new ATOM 595 N TYR A 37 3.416 5.843 -5.351 1.00 0.25 N ATOM 596 CA TYR A 37 2.871 6.656 -6.421 1.00 0.24 C ATOM 597 C TYR A 37 1.354 6.522 -6.382 1.00 0.19 C ATOM 598 O TYR A 37 0.824 5.690 -5.639 1.00 0.22 O ATOM 599 CB TYR A 37 3.371 6.201 -7.794 1.00 0.31 C ATOM 600 CG TYR A 37 4.814 5.734 -7.836 1.00 1.10 C ATOM 601 CD1 TYR A 37 5.847 6.621 -8.102 1.00 1.91 C ATOM 602 CD2 TYR A 37 5.134 4.397 -7.625 1.00 2.03 C ATOM 603 CE1 TYR A 37 7.159 6.191 -8.155 1.00 2.86 C ATOM 604 CE2 TYR A 37 6.443 3.961 -7.676 1.00 2.97 C ATOM 605 CZ TYR A 37 7.452 4.862 -7.941 1.00 3.23 C ATOM 606 OH TYR A 37 8.757 4.434 -7.992 1.00 4.30 O ATOM 0 H TYR A 37 3.278 4.841 -5.483 1.00 0.25 H new ATOM 0 HA TYR A 37 3.191 7.688 -6.275 1.00 0.24 H new ATOM 0 HB2 TYR A 37 2.733 5.389 -8.144 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.252 7.025 -8.497 1.00 0.31 H new ATOM 0 HD1 TYR A 37 5.622 7.664 -8.270 1.00 1.91 H new ATOM 0 HD2 TYR A 37 4.346 3.688 -7.418 1.00 2.03 H new ATOM 0 HE1 TYR A 37 7.952 6.894 -8.363 1.00 2.86 H new ATOM 0 HE2 TYR A 37 6.675 2.920 -7.509 1.00 2.97 H new ATOM 0 HH TYR A 37 9.357 5.205 -7.918 1.00 4.30 H new ATOM 616 N VAL A 38 0.650 7.312 -7.171 1.00 0.21 N ATOM 617 CA VAL A 38 -0.797 7.199 -7.227 1.00 0.19 C ATOM 618 C VAL A 38 -1.264 6.973 -8.662 1.00 0.20 C ATOM 619 O VAL A 38 -0.680 7.505 -9.608 1.00 0.25 O ATOM 620 CB VAL A 38 -1.493 8.441 -6.627 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.279 9.679 -7.488 1.00 0.26 C ATOM 622 CG2 VAL A 38 -2.972 8.161 -6.430 1.00 0.18 C ATOM 0 H VAL A 38 1.049 8.030 -7.775 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.079 6.336 -6.623 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.042 8.648 -5.657 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.784 10.531 -7.032 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.212 9.888 -7.565 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.688 9.505 -8.483 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.456 9.041 -6.007 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.428 7.923 -7.391 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.095 7.317 -5.751 1.00 0.18 H new ATOM 632 N ASP A 39 -2.290 6.153 -8.822 1.00 0.20 N ATOM 633 CA ASP A 39 -2.846 5.879 -10.137 1.00 0.24 C ATOM 634 C ASP A 39 -4.362 5.976 -10.094 1.00 0.26 C ATOM 635 O ASP A 39 -5.043 4.997 -9.797 1.00 0.30 O ATOM 636 CB ASP A 39 -2.411 4.495 -10.632 1.00 0.27 C ATOM 637 CG ASP A 39 -2.927 4.187 -12.022 1.00 0.40 C ATOM 638 OD1 ASP A 39 -2.524 4.885 -12.974 1.00 1.07 O ATOM 639 OD2 ASP A 39 -3.724 3.240 -12.173 1.00 1.15 O ATOM 0 H ASP A 39 -2.755 5.665 -8.057 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.466 6.624 -10.836 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.322 4.438 -10.631 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.770 3.735 -9.938 1.00 0.27 H new ATOM 644 N ASP A 40 -4.870 7.176 -10.369 1.00 0.32 N ATOM 645 CA ASP A 40 -6.304 7.473 -10.301 1.00 0.39 C ATOM 646 C ASP A 40 -6.868 7.167 -8.926 1.00 0.34 C ATOM 647 O ASP A 40 -6.761 7.972 -8.002 1.00 0.41 O ATOM 648 CB ASP A 40 -7.108 6.693 -11.347 1.00 0.54 C ATOM 649 CG ASP A 40 -6.818 7.124 -12.764 1.00 0.97 C ATOM 650 OD1 ASP A 40 -6.972 8.322 -13.072 1.00 1.41 O ATOM 651 OD2 ASP A 40 -6.439 6.257 -13.581 1.00 1.83 O ATOM 0 H ASP A 40 -4.299 7.974 -10.646 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.400 8.539 -10.508 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -6.889 5.630 -11.246 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -8.172 6.820 -11.146 1.00 0.54 H new ATOM 656 N GLU A 41 -7.447 5.983 -8.800 1.00 0.38 N ATOM 657 CA GLU A 41 -8.103 5.572 -7.576 1.00 0.49 C ATOM 658 C GLU A 41 -7.382 4.378 -6.968 1.00 0.42 C ATOM 659 O GLU A 41 -7.904 3.717 -6.067 1.00 0.64 O ATOM 660 CB GLU A 41 -9.553 5.204 -7.880 1.00 0.71 C ATOM 661 CG GLU A 41 -10.312 6.288 -8.624 1.00 1.19 C ATOM 662 CD GLU A 41 -11.695 5.837 -9.037 1.00 1.86 C ATOM 663 OE1 GLU A 41 -12.543 5.605 -8.152 1.00 2.54 O ATOM 664 OE2 GLU A 41 -11.945 5.716 -10.258 1.00 2.28 O ATOM 0 H GLU A 41 -7.474 5.284 -9.543 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.077 6.395 -6.861 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -9.570 4.289 -8.472 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -10.068 4.988 -6.944 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.394 7.171 -7.991 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.748 6.582 -9.509 1.00 1.19 H new ATOM 671 N LYS A 42 -6.196 4.083 -7.483 1.00 0.26 N ATOM 672 CA LYS A 42 -5.374 3.009 -6.959 1.00 0.26 C ATOM 673 C LYS A 42 -4.106 3.577 -6.343 1.00 0.18 C ATOM 674 O LYS A 42 -3.660 4.668 -6.708 1.00 0.18 O ATOM 675 CB LYS A 42 -4.969 2.052 -8.075 1.00 0.39 C ATOM 676 CG LYS A 42 -6.126 1.478 -8.877 1.00 0.78 C ATOM 677 CD LYS A 42 -5.737 1.295 -10.337 1.00 0.87 C ATOM 678 CE LYS A 42 -4.419 0.547 -10.488 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.900 0.620 -11.879 1.00 0.81 N ATOM 0 H LYS A 42 -5.781 4.580 -8.271 1.00 0.26 H new ATOM 0 HA LYS A 42 -5.957 2.477 -6.207 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.298 2.575 -8.756 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.403 1.228 -7.640 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.427 0.520 -8.454 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -6.987 2.142 -8.807 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -6.525 0.749 -10.856 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.657 2.271 -10.816 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.682 0.966 -9.803 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.559 -0.497 -10.206 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -3.088 -0.022 -11.981 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -4.649 0.340 -12.544 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -3.599 1.594 -12.087 1.00 0.81 H new ATOM 693 N ILE A 43 -3.521 2.827 -5.435 1.00 0.16 N ATOM 694 CA ILE A 43 -2.258 3.192 -4.830 1.00 0.15 C ATOM 695 C ILE A 43 -1.168 2.271 -5.353 1.00 0.16 C ATOM 696 O ILE A 43 -1.385 1.069 -5.495 1.00 0.21 O ATOM 697 CB ILE A 43 -2.320 3.080 -3.298 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.531 3.854 -2.765 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.029 3.605 -2.687 1.00 0.26 C ATOM 700 CD1 ILE A 43 -3.853 3.558 -1.318 1.00 0.34 C ATOM 0 H ILE A 43 -3.907 1.946 -5.095 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.040 4.228 -5.091 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.432 2.033 -3.017 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.345 4.922 -2.875 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.401 3.617 -3.377 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.080 3.522 -1.601 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.187 3.019 -3.056 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -0.893 4.650 -2.965 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -4.721 4.142 -1.012 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.071 2.496 -1.204 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -2.999 3.822 -0.694 1.00 0.34 H new ATOM 712 N ILE A 44 -0.009 2.828 -5.651 1.00 0.14 N ATOM 713 CA ILE A 44 1.094 2.044 -6.188 1.00 0.16 C ATOM 714 C ILE A 44 2.315 2.229 -5.314 1.00 0.17 C ATOM 715 O ILE A 44 2.928 3.280 -5.345 1.00 0.20 O ATOM 716 CB ILE A 44 1.469 2.470 -7.629 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.218 2.663 -8.500 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.401 1.436 -8.256 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.608 1.408 -8.690 1.00 0.18 C ATOM 0 H ILE A 44 0.196 3.820 -5.531 1.00 0.14 H new ATOM 0 HA ILE A 44 0.770 1.003 -6.206 1.00 0.16 H new ATOM 0 HB ILE A 44 1.986 3.428 -7.574 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.409 3.432 -8.049 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.524 3.034 -9.478 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.658 1.745 -9.269 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.310 1.356 -7.659 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.901 0.468 -8.288 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.471 1.632 -9.316 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.000 0.642 -9.171 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.948 1.046 -7.720 1.00 0.18 H new ATOM 731 N LEU A 45 2.692 1.231 -4.541 1.00 0.18 N ATOM 732 CA LEU A 45 3.861 1.390 -3.697 1.00 0.18 C ATOM 733 C LEU A 45 4.904 0.346 -4.013 1.00 0.20 C ATOM 734 O LEU A 45 4.721 -0.852 -3.795 1.00 0.33 O ATOM 735 CB LEU A 45 3.529 1.429 -2.199 1.00 0.36 C ATOM 736 CG LEU A 45 2.294 0.662 -1.743 1.00 0.32 C ATOM 737 CD1 LEU A 45 2.660 -0.755 -1.347 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.624 1.385 -0.587 1.00 1.10 C ATOM 0 H LEU A 45 2.224 0.327 -4.478 1.00 0.18 H new ATOM 0 HA LEU A 45 4.279 2.369 -3.930 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.389 1.043 -1.652 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.407 2.472 -1.906 1.00 0.36 H new ATOM 0 HG LEU A 45 1.591 0.611 -2.575 1.00 0.32 H new ATOM 0 HD11 LEU A 45 1.764 -1.286 -1.025 1.00 1.30 H new ATOM 0 HD12 LEU A 45 3.099 -1.270 -2.202 1.00 1.30 H new ATOM 0 HD13 LEU A 45 3.381 -0.730 -0.530 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.743 0.827 -0.270 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.322 1.464 0.246 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.326 2.384 -0.906 1.00 1.10 H new ATOM 750 N LYS A 46 5.983 0.832 -4.582 1.00 0.19 N ATOM 751 CA LYS A 46 7.132 0.027 -4.917 1.00 0.29 C ATOM 752 C LYS A 46 8.109 0.097 -3.764 1.00 0.32 C ATOM 753 O LYS A 46 7.951 0.913 -2.874 1.00 0.54 O ATOM 754 CB LYS A 46 7.758 0.587 -6.198 1.00 0.38 C ATOM 755 CG LYS A 46 8.915 -0.218 -6.762 1.00 0.85 C ATOM 756 CD LYS A 46 9.624 0.581 -7.831 1.00 1.00 C ATOM 757 CE LYS A 46 10.399 1.720 -7.196 1.00 1.15 C ATOM 758 NZ LYS A 46 10.860 2.724 -8.186 1.00 1.41 N ATOM 0 H LYS A 46 6.087 1.816 -4.829 1.00 0.19 H new ATOM 0 HA LYS A 46 6.855 -1.014 -5.087 1.00 0.29 H new ATOM 0 HB2 LYS A 46 6.982 0.659 -6.960 1.00 0.38 H new ATOM 0 HB3 LYS A 46 8.105 1.601 -6.000 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.613 -0.476 -5.965 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.548 -1.155 -7.180 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.302 -0.064 -8.390 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.899 0.975 -8.543 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.771 2.211 -6.453 1.00 1.15 H new ATOM 0 HE3 LYS A 46 11.262 1.316 -6.667 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 11.816 3.047 -7.933 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 10.879 2.294 -9.133 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 10.209 3.535 -8.187 1.00 1.41 H new ATOM 772 N LYS A 47 9.076 -0.782 -3.750 1.00 0.27 N ATOM 773 CA LYS A 47 10.187 -0.661 -2.816 1.00 0.28 C ATOM 774 C LYS A 47 10.967 0.615 -3.119 1.00 0.29 C ATOM 775 O LYS A 47 11.026 1.051 -4.270 1.00 0.34 O ATOM 776 CB LYS A 47 11.110 -1.873 -2.957 1.00 0.39 C ATOM 777 CG LYS A 47 11.692 -2.007 -4.361 1.00 1.26 C ATOM 778 CD LYS A 47 12.572 -3.236 -4.508 1.00 1.27 C ATOM 779 CE LYS A 47 13.105 -3.359 -5.930 1.00 2.37 C ATOM 780 NZ LYS A 47 13.860 -4.620 -6.148 1.00 2.68 N ATOM 0 H LYS A 47 9.126 -1.591 -4.369 1.00 0.27 H new ATOM 0 HA LYS A 47 9.803 -0.618 -1.797 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.924 -1.791 -2.237 1.00 0.39 H new ATOM 0 HB3 LYS A 47 10.555 -2.778 -2.710 1.00 0.39 H new ATOM 0 HG2 LYS A 47 10.879 -2.057 -5.085 1.00 1.26 H new ATOM 0 HG3 LYS A 47 12.274 -1.116 -4.597 1.00 1.26 H new ATOM 0 HD2 LYS A 47 13.405 -3.177 -3.807 1.00 1.27 H new ATOM 0 HD3 LYS A 47 12.002 -4.129 -4.251 1.00 1.27 H new ATOM 0 HE2 LYS A 47 12.272 -3.312 -6.632 1.00 2.37 H new ATOM 0 HE3 LYS A 47 13.753 -2.510 -6.146 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 14.784 -4.402 -6.574 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 14.003 -5.101 -5.237 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 13.322 -5.241 -6.786 1.00 2.68 H new ATOM 794 N TYR A 48 11.545 1.228 -2.097 1.00 0.32 N ATOM 795 CA TYR A 48 12.368 2.404 -2.312 1.00 0.41 C ATOM 796 C TYR A 48 13.638 2.006 -3.053 1.00 0.53 C ATOM 797 O TYR A 48 14.011 0.831 -3.061 1.00 0.60 O ATOM 798 CB TYR A 48 12.702 3.082 -0.983 1.00 0.48 C ATOM 799 CG TYR A 48 13.279 4.472 -1.146 1.00 1.10 C ATOM 800 CD1 TYR A 48 12.565 5.458 -1.815 1.00 1.68 C ATOM 801 CD2 TYR A 48 14.530 4.800 -0.639 1.00 2.02 C ATOM 802 CE1 TYR A 48 13.078 6.729 -1.974 1.00 2.40 C ATOM 803 CE2 TYR A 48 15.051 6.073 -0.794 1.00 2.71 C ATOM 804 CZ TYR A 48 14.320 7.034 -1.464 1.00 2.72 C ATOM 805 OH TYR A 48 14.831 8.303 -1.621 1.00 3.55 O ATOM 0 H TYR A 48 11.460 0.934 -1.124 1.00 0.32 H new ATOM 0 HA TYR A 48 11.814 3.121 -2.918 1.00 0.41 H new ATOM 0 HB2 TYR A 48 11.798 3.141 -0.376 1.00 0.48 H new ATOM 0 HB3 TYR A 48 13.413 2.463 -0.436 1.00 0.48 H new ATOM 0 HD1 TYR A 48 11.590 5.225 -2.218 1.00 1.68 H new ATOM 0 HD2 TYR A 48 15.105 4.050 -0.116 1.00 2.02 H new ATOM 0 HE1 TYR A 48 12.507 7.482 -2.497 1.00 2.40 H new ATOM 0 HE2 TYR A 48 16.024 6.313 -0.393 1.00 2.71 H new ATOM 0 HH TYR A 48 15.716 8.353 -1.203 1.00 3.55 H new ATOM 939 N SER B 3 1.449 12.237 -3.096 1.00 0.46 N ATOM 940 CA SER B 3 1.795 10.963 -3.691 1.00 0.38 C ATOM 941 C SER B 3 2.591 11.139 -4.977 1.00 0.36 C ATOM 942 O SER B 3 3.093 12.223 -5.282 1.00 0.41 O ATOM 943 CB SER B 3 0.512 10.195 -3.981 1.00 0.41 C ATOM 944 OG SER B 3 -0.231 10.011 -2.791 1.00 0.44 O ATOM 0 HA SER B 3 2.422 10.412 -2.990 1.00 0.38 H new ATOM 0 HB2 SER B 3 -0.088 10.738 -4.712 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.751 9.227 -4.421 1.00 0.41 H new ATOM 0 HG SER B 3 -0.585 10.874 -2.490 1.00 0.44 H new ATOM 950 N THR B 4 2.682 10.051 -5.721 1.00 0.35 N ATOM 951 CA THR B 4 3.408 10.012 -6.971 1.00 0.35 C ATOM 952 C THR B 4 4.918 10.121 -6.738 1.00 0.34 C ATOM 953 O THR B 4 5.565 11.101 -7.114 1.00 0.40 O ATOM 954 CB THR B 4 2.937 11.101 -7.952 1.00 0.36 C ATOM 955 OG1 THR B 4 1.505 11.122 -7.998 1.00 0.35 O ATOM 956 CG2 THR B 4 3.480 10.835 -9.348 1.00 0.41 C ATOM 0 H THR B 4 2.249 9.163 -5.469 1.00 0.35 H new ATOM 0 HA THR B 4 3.195 9.045 -7.426 1.00 0.35 H new ATOM 0 HB THR B 4 3.311 12.064 -7.605 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.201 10.786 -8.867 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.136 11.615 -10.027 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.570 10.832 -9.320 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.124 9.866 -9.699 1.00 0.41 H new ATOM 964 N GLY B 5 5.458 9.122 -6.063 1.00 0.30 N ATOM 965 CA GLY B 5 6.881 9.054 -5.848 1.00 0.30 C ATOM 966 C GLY B 5 7.276 9.555 -4.478 1.00 0.29 C ATOM 967 O GLY B 5 8.308 10.211 -4.323 1.00 0.32 O ATOM 0 H GLY B 5 4.928 8.351 -5.657 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.216 8.023 -5.967 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.390 9.644 -6.610 1.00 0.30 H new ATOM 971 N ILE B 6 6.454 9.259 -3.481 1.00 0.28 N ATOM 972 CA ILE B 6 6.755 9.655 -2.119 1.00 0.29 C ATOM 973 C ILE B 6 7.190 8.440 -1.310 1.00 0.25 C ATOM 974 O ILE B 6 6.593 7.371 -1.402 1.00 0.24 O ATOM 975 CB ILE B 6 5.562 10.355 -1.423 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.045 11.030 -0.139 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.431 9.379 -1.115 1.00 0.32 C ATOM 978 CD1 ILE B 6 6.848 12.292 -0.382 1.00 0.52 C ATOM 0 H ILE B 6 5.578 8.748 -3.592 1.00 0.28 H new ATOM 0 HA ILE B 6 7.567 10.381 -2.167 1.00 0.29 H new ATOM 0 HB ILE B 6 5.164 11.105 -2.106 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.182 11.272 0.481 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.655 10.324 0.425 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.614 9.911 -0.627 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.071 8.934 -2.043 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.798 8.593 -0.455 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.157 12.716 0.573 1.00 0.52 H new ATOM 0 HD12 ILE B 6 7.730 12.053 -0.976 1.00 0.52 H new ATOM 0 HD13 ILE B 6 6.235 13.016 -0.919 1.00 0.52 H new ATOM 990 N VAL B 7 8.239 8.599 -0.538 1.00 0.25 N ATOM 991 CA VAL B 7 8.792 7.499 0.226 1.00 0.24 C ATOM 992 C VAL B 7 8.107 7.377 1.590 1.00 0.28 C ATOM 993 O VAL B 7 8.000 8.355 2.336 1.00 0.37 O ATOM 994 CB VAL B 7 10.317 7.669 0.403 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.656 8.987 1.090 1.00 0.31 C ATOM 996 CG2 VAL B 7 10.888 6.495 1.171 1.00 0.30 C ATOM 0 H VAL B 7 8.731 9.484 -0.420 1.00 0.25 H new ATOM 0 HA VAL B 7 8.608 6.580 -0.330 1.00 0.24 H new ATOM 0 HB VAL B 7 10.773 7.693 -0.587 1.00 0.25 H new ATOM 0 HG11 VAL B 7 11.737 9.073 1.198 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.284 9.817 0.489 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.189 9.015 2.075 1.00 0.31 H new ATOM 0 HG21 VAL B 7 11.964 6.626 1.289 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.419 6.440 2.153 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.693 5.573 0.624 1.00 0.30 H new ATOM 1006 N ARG B 8 7.605 6.190 1.902 1.00 0.27 N ATOM 1007 CA ARG B 8 6.985 5.935 3.194 1.00 0.32 C ATOM 1008 C ARG B 8 7.673 4.770 3.896 1.00 0.27 C ATOM 1009 O ARG B 8 8.253 3.901 3.246 1.00 0.26 O ATOM 1010 CB ARG B 8 5.507 5.619 3.012 1.00 0.41 C ATOM 1011 CG ARG B 8 4.598 6.637 3.666 1.00 0.57 C ATOM 1012 CD ARG B 8 4.526 7.923 2.864 1.00 0.57 C ATOM 1013 NE ARG B 8 3.527 8.843 3.414 1.00 0.95 N ATOM 1014 CZ ARG B 8 3.666 10.165 3.453 1.00 0.89 C ATOM 1015 NH1 ARG B 8 4.774 10.738 2.992 1.00 1.74 N ATOM 1016 NH2 ARG B 8 2.699 10.913 3.967 1.00 1.09 N ATOM 0 H ARG B 8 7.615 5.386 1.275 1.00 0.27 H new ATOM 0 HA ARG B 8 7.090 6.830 3.808 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.281 5.570 1.947 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.298 4.634 3.428 1.00 0.41 H new ATOM 0 HG2 ARG B 8 3.598 6.217 3.771 1.00 0.57 H new ATOM 0 HG3 ARG B 8 4.959 6.855 4.671 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.503 8.406 2.860 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.279 7.693 1.827 1.00 0.57 H new ATOM 0 HE ARG B 8 2.668 8.443 3.792 1.00 0.95 H new ATOM 0 HH11 ARG B 8 5.523 10.163 2.606 1.00 1.74 H new ATOM 0 HH12 ARG B 8 4.875 11.752 3.024 1.00 1.74 H new ATOM 0 HH21 ARG B 8 1.853 10.474 4.330 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.801 11.927 3.999 1.00 1.09 H new ATOM 1030 N LYS B 9 7.603 4.758 5.217 1.00 0.30 N ATOM 1031 CA LYS B 9 8.203 3.694 6.011 1.00 0.27 C ATOM 1032 C LYS B 9 7.189 2.566 6.209 1.00 0.24 C ATOM 1033 O LYS B 9 5.984 2.781 6.050 1.00 0.26 O ATOM 1034 CB LYS B 9 8.646 4.256 7.366 1.00 0.30 C ATOM 1035 CG LYS B 9 9.577 3.341 8.145 1.00 1.23 C ATOM 1036 CD LYS B 9 11.021 3.832 8.120 1.00 0.97 C ATOM 1037 CE LYS B 9 11.554 3.987 6.703 1.00 0.69 C ATOM 1038 NZ LYS B 9 13.024 4.208 6.683 1.00 0.92 N ATOM 0 H LYS B 9 7.134 5.478 5.767 1.00 0.30 H new ATOM 0 HA LYS B 9 9.074 3.295 5.491 1.00 0.27 H new ATOM 0 HB2 LYS B 9 9.145 5.212 7.205 1.00 0.30 H new ATOM 0 HB3 LYS B 9 7.761 4.456 7.971 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.236 3.273 9.178 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.530 2.336 7.727 1.00 1.23 H new ATOM 0 HD2 LYS B 9 11.086 4.789 8.637 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.650 3.131 8.668 1.00 0.97 H new ATOM 0 HE2 LYS B 9 11.314 3.094 6.125 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.055 4.825 6.217 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.324 4.459 5.720 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.268 4.981 7.334 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.510 3.338 6.981 1.00 0.92 H new ATOM 1052 N VAL B 10 7.671 1.367 6.542 1.00 0.22 N ATOM 1053 CA VAL B 10 6.784 0.240 6.786 1.00 0.22 C ATOM 1054 C VAL B 10 6.250 0.292 8.223 1.00 0.24 C ATOM 1055 O VAL B 10 5.576 1.251 8.613 1.00 0.39 O ATOM 1056 CB VAL B 10 7.481 -1.130 6.542 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.460 -2.207 6.212 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.545 -1.044 5.458 1.00 0.22 C ATOM 0 H VAL B 10 8.664 1.157 6.647 1.00 0.22 H new ATOM 0 HA VAL B 10 5.961 0.323 6.076 1.00 0.22 H new ATOM 0 HB VAL B 10 7.985 -1.404 7.469 1.00 0.23 H new ATOM 0 HG11 VAL B 10 6.972 -3.155 6.046 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.761 -2.313 7.042 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.914 -1.927 5.311 1.00 0.27 H new ATOM 0 HG21 VAL B 10 9.005 -2.023 5.321 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.086 -0.725 4.522 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.307 -0.323 5.753 1.00 0.22 H new ATOM 1068 N ASP B 11 6.586 -0.727 9.012 1.00 0.23 N ATOM 1069 CA ASP B 11 6.134 -0.843 10.397 1.00 0.31 C ATOM 1070 C ASP B 11 6.729 -2.092 11.023 1.00 0.27 C ATOM 1071 O ASP B 11 7.570 -2.017 11.914 1.00 0.21 O ATOM 1072 CB ASP B 11 4.608 -0.911 10.477 1.00 0.64 C ATOM 1073 CG ASP B 11 4.099 -1.045 11.901 1.00 0.98 C ATOM 1074 OD1 ASP B 11 4.829 -0.657 12.841 1.00 1.66 O ATOM 1075 OD2 ASP B 11 2.964 -1.533 12.076 1.00 1.39 O ATOM 0 H ASP B 11 7.181 -1.498 8.708 1.00 0.23 H new ATOM 0 HA ASP B 11 6.467 0.042 10.940 1.00 0.31 H new ATOM 0 HB2 ASP B 11 4.185 -0.013 10.028 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.255 -1.758 9.889 1.00 0.64 H new ATOM 1080 N GLU B 12 6.291 -3.240 10.522 1.00 0.40 N ATOM 1081 CA GLU B 12 6.814 -4.532 10.949 1.00 0.54 C ATOM 1082 C GLU B 12 6.488 -5.601 9.920 1.00 0.46 C ATOM 1083 O GLU B 12 7.289 -5.894 9.028 1.00 0.52 O ATOM 1084 CB GLU B 12 6.267 -4.943 12.322 1.00 0.77 C ATOM 1085 CG GLU B 12 4.877 -4.417 12.631 1.00 0.87 C ATOM 1086 CD GLU B 12 4.372 -4.895 13.976 1.00 1.22 C ATOM 1087 OE1 GLU B 12 4.818 -4.353 15.010 1.00 1.57 O ATOM 1088 OE2 GLU B 12 3.540 -5.824 14.005 1.00 1.91 O ATOM 0 H GLU B 12 5.564 -3.302 9.809 1.00 0.40 H new ATOM 0 HA GLU B 12 7.896 -4.433 11.037 1.00 0.54 H new ATOM 0 HB2 GLU B 12 6.251 -6.031 12.381 1.00 0.77 H new ATOM 0 HB3 GLU B 12 6.954 -4.592 13.092 1.00 0.77 H new ATOM 0 HG2 GLU B 12 4.891 -3.327 12.616 1.00 0.87 H new ATOM 0 HG3 GLU B 12 4.187 -4.738 11.851 1.00 0.87 H new ATOM 1095 N LEU B 13 5.291 -6.150 10.032 1.00 0.39 N ATOM 1096 CA LEU B 13 4.848 -7.220 9.160 1.00 0.35 C ATOM 1097 C LEU B 13 4.646 -6.727 7.729 1.00 0.29 C ATOM 1098 O LEU B 13 4.901 -7.464 6.778 1.00 0.40 O ATOM 1099 CB LEU B 13 3.564 -7.862 9.707 1.00 0.40 C ATOM 1100 CG LEU B 13 2.272 -7.043 9.569 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.071 -7.900 9.931 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.305 -5.801 10.448 1.00 0.72 C ATOM 0 H LEU B 13 4.602 -5.867 10.728 1.00 0.39 H new ATOM 0 HA LEU B 13 5.630 -7.979 9.136 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.418 -8.816 9.201 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.717 -8.082 10.764 1.00 0.40 H new ATOM 0 HG LEU B 13 2.189 -6.721 8.531 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.160 -7.311 9.830 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.023 -8.760 9.263 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.168 -8.245 10.960 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.376 -5.244 10.326 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.417 -6.096 11.491 1.00 0.72 H new ATOM 0 HD23 LEU B 13 3.146 -5.171 10.157 1.00 0.72 H new ATOM 1114 N GLY B 14 4.218 -5.477 7.571 1.00 0.25 N ATOM 1115 CA GLY B 14 4.023 -4.950 6.237 1.00 0.24 C ATOM 1116 C GLY B 14 3.185 -3.695 6.205 1.00 0.22 C ATOM 1117 O GLY B 14 3.087 -3.052 5.170 1.00 0.31 O ATOM 0 H GLY B 14 4.006 -4.831 8.331 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.995 -4.740 5.791 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.547 -5.712 5.619 1.00 0.24 H new ATOM 1121 N ARG B 15 2.573 -3.345 7.331 1.00 0.17 N ATOM 1122 CA ARG B 15 1.725 -2.158 7.399 1.00 0.17 C ATOM 1123 C ARG B 15 2.459 -0.906 6.936 1.00 0.17 C ATOM 1124 O ARG B 15 3.299 -0.369 7.652 1.00 0.22 O ATOM 1125 CB ARG B 15 1.204 -1.948 8.815 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.295 -2.078 8.920 1.00 0.23 C ATOM 1127 CD ARG B 15 -0.750 -1.958 10.357 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.170 -2.255 10.513 1.00 0.42 N ATOM 1129 CZ ARG B 15 -2.779 -2.319 11.692 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.088 -2.106 12.809 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.076 -2.596 11.755 1.00 0.75 N ATOM 0 H ARG B 15 2.647 -3.863 8.206 1.00 0.17 H new ATOM 0 HA ARG B 15 0.886 -2.329 6.725 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.673 -2.674 9.479 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.502 -0.959 9.162 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.774 -1.306 8.318 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.610 -3.040 8.514 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.168 -2.639 10.978 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.550 -0.949 10.716 1.00 0.25 H new ATOM 0 HE ARG B 15 -2.724 -2.422 9.673 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.092 -1.894 12.760 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -2.555 -2.155 13.715 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.605 -2.760 10.898 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -4.544 -2.645 12.660 1.00 0.75 H new ATOM 1145 N VAL B 16 2.136 -0.453 5.736 1.00 0.14 N ATOM 1146 CA VAL B 16 2.730 0.756 5.186 1.00 0.14 C ATOM 1147 C VAL B 16 1.756 1.918 5.352 1.00 0.16 C ATOM 1148 O VAL B 16 0.540 1.748 5.216 1.00 0.16 O ATOM 1149 CB VAL B 16 3.107 0.577 3.695 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.872 0.341 2.838 1.00 1.04 C ATOM 1151 CG2 VAL B 16 3.900 1.778 3.200 1.00 0.96 C ATOM 0 H VAL B 16 1.461 -0.907 5.120 1.00 0.14 H new ATOM 0 HA VAL B 16 3.650 0.968 5.731 1.00 0.14 H new ATOM 0 HB VAL B 16 3.737 -0.308 3.607 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.170 0.219 1.797 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.361 -0.560 3.177 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.200 1.195 2.926 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.157 1.637 2.150 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.299 2.681 3.308 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.813 1.878 3.787 1.00 0.96 H new ATOM 1161 N VAL B 17 2.285 3.088 5.677 1.00 0.17 N ATOM 1162 CA VAL B 17 1.451 4.247 5.952 1.00 0.17 C ATOM 1163 C VAL B 17 0.970 4.902 4.657 1.00 0.18 C ATOM 1164 O VAL B 17 1.723 5.609 3.987 1.00 0.25 O ATOM 1165 CB VAL B 17 2.203 5.294 6.798 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.277 6.437 7.181 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.810 4.657 8.039 1.00 0.22 C ATOM 0 H VAL B 17 3.287 3.259 5.757 1.00 0.17 H new ATOM 0 HA VAL B 17 0.589 3.889 6.515 1.00 0.17 H new ATOM 0 HB VAL B 17 3.016 5.697 6.194 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.826 7.166 7.778 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.900 6.918 6.278 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.441 6.049 7.762 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.335 5.417 8.618 1.00 0.22 H new ATOM 0 HG22 VAL B 17 2.019 4.219 8.647 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.512 3.878 7.742 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.278 4.639 4.301 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.905 5.279 3.156 1.00 0.21 C ATOM 1179 C ILE B 18 -1.080 6.771 3.418 1.00 0.17 C ATOM 1180 O ILE B 18 -1.444 7.171 4.527 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.295 4.671 2.877 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.194 3.165 2.637 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.955 5.353 1.691 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.525 2.789 1.332 1.00 0.55 C ATOM 0 H ILE B 18 -0.881 3.980 4.794 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.258 5.119 2.294 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.915 4.837 3.758 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.640 2.713 3.460 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.196 2.737 2.655 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.934 4.907 1.513 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.073 6.416 1.902 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.332 5.226 0.805 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.493 1.703 1.239 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -2.090 3.208 0.499 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.509 3.184 1.317 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.777 7.618 2.422 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.089 9.042 2.478 1.00 0.22 C ATOM 1198 C PRO B 19 -2.533 9.302 2.884 1.00 0.21 C ATOM 1199 O PRO B 19 -3.456 8.620 2.427 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.860 9.504 1.049 1.00 0.26 C ATOM 1201 CG PRO B 19 0.204 8.598 0.543 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.061 7.263 1.181 1.00 0.27 C ATOM 0 HA PRO B 19 -0.482 9.563 3.218 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.769 9.423 0.453 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.546 10.547 1.012 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.172 8.526 -0.544 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.194 8.969 0.809 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.664 6.622 0.538 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.864 6.726 1.390 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.726 10.295 3.737 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.061 10.668 4.183 1.00 0.26 C ATOM 1212 C ILE B 20 -4.908 11.119 2.991 1.00 0.26 C ATOM 1213 O ILE B 20 -6.118 10.904 2.952 1.00 0.25 O ATOM 1214 CB ILE B 20 -3.999 11.777 5.260 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.409 12.213 5.676 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.184 12.967 4.765 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.426 13.240 6.788 1.00 0.82 C ATOM 0 H ILE B 20 -1.975 10.859 4.135 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.528 9.793 4.634 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.500 11.369 6.139 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -5.924 12.623 4.807 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -5.971 11.336 5.995 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.154 13.734 5.538 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.169 12.643 4.536 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.646 13.376 3.866 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.457 13.499 7.028 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -4.941 12.827 7.672 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -4.892 14.134 6.466 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.240 11.692 1.997 1.00 0.28 N ATOM 1230 CA GLU B 21 -4.886 12.138 0.768 1.00 0.30 C ATOM 1231 C GLU B 21 -5.336 10.944 -0.063 1.00 0.26 C ATOM 1232 O GLU B 21 -6.336 11.014 -0.769 1.00 0.26 O ATOM 1233 CB GLU B 21 -3.903 12.984 -0.041 1.00 0.37 C ATOM 1234 CG GLU B 21 -2.668 12.199 -0.454 1.00 0.42 C ATOM 1235 CD GLU B 21 -1.631 13.026 -1.176 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -1.302 14.129 -0.693 1.00 1.18 O ATOM 1237 OE2 GLU B 21 -1.132 12.560 -2.222 1.00 1.35 O ATOM 0 H GLU B 21 -3.234 11.861 2.020 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.762 12.733 1.025 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.403 13.365 -0.932 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.600 13.849 0.549 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.214 11.760 0.435 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -2.972 11.373 -1.097 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.634 9.827 0.085 1.00 0.24 N ATOM 1245 CA LEU B 22 -4.890 8.669 -0.744 1.00 0.22 C ATOM 1246 C LEU B 22 -6.093 7.925 -0.214 1.00 0.20 C ATOM 1247 O LEU B 22 -7.020 7.599 -0.952 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.675 7.747 -0.786 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.547 8.191 -1.713 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.668 7.008 -2.083 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.106 8.872 -2.953 1.00 0.33 C ATOM 0 H LEU B 22 -3.888 9.704 0.769 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.091 9.006 -1.761 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.276 7.653 0.224 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -4.004 6.754 -1.092 1.00 0.23 H new ATOM 0 HG LEU B 22 -1.929 8.918 -1.185 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.868 7.342 -2.744 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.236 6.579 -1.179 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.268 6.254 -2.591 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.285 9.181 -3.600 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.750 8.176 -3.491 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.684 9.748 -2.658 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.107 7.715 1.090 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.221 7.044 1.717 1.00 0.18 C ATOM 1265 C ARG B 23 -8.453 7.931 1.597 1.00 0.18 C ATOM 1266 O ARG B 23 -9.574 7.444 1.473 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.919 6.750 3.184 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.694 7.997 4.018 1.00 0.27 C ATOM 1269 CD ARG B 23 -6.936 7.705 5.476 1.00 0.64 C ATOM 1270 NE ARG B 23 -6.962 8.909 6.301 1.00 0.66 N ATOM 1271 CZ ARG B 23 -8.082 9.558 6.633 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -9.249 9.182 6.126 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.035 10.583 7.473 1.00 1.34 N ATOM 0 H ARG B 23 -5.363 7.999 1.728 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.400 6.092 1.218 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.746 6.182 3.610 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -6.033 6.117 3.245 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.675 8.357 3.877 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -7.362 8.791 3.684 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -7.884 7.177 5.583 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -6.156 7.037 5.842 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.074 9.276 6.644 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -9.294 8.394 5.480 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -10.101 9.681 6.383 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -7.142 10.878 7.868 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -8.892 11.076 7.724 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.225 9.246 1.633 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.266 10.224 1.379 1.00 0.22 C ATOM 1289 C ARG B 24 -9.818 10.071 -0.030 1.00 0.22 C ATOM 1290 O ARG B 24 -11.022 10.191 -0.249 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.715 11.625 1.572 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.758 12.701 1.389 1.00 0.42 C ATOM 1293 CD ARG B 24 -9.138 13.993 0.896 1.00 0.89 C ATOM 1294 NE ARG B 24 -8.200 14.563 1.859 1.00 1.40 N ATOM 1295 CZ ARG B 24 -7.800 15.835 1.847 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -8.299 16.685 0.956 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -6.909 16.257 2.737 1.00 2.77 N ATOM 0 H ARG B 24 -7.313 9.654 1.839 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.079 10.056 2.086 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.288 11.707 2.572 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.903 11.790 0.864 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.511 12.362 0.678 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -10.270 12.879 2.335 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.621 13.809 -0.046 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -9.927 14.716 0.690 1.00 0.89 H new ATOM 0 HE ARG B 24 -7.828 13.951 2.585 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -8.991 16.365 0.278 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -7.990 17.657 0.950 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -6.532 15.608 3.428 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -6.602 17.230 2.729 1.00 2.77 H new ATOM 1311 N THR B 25 -8.936 9.783 -0.981 1.00 0.23 N ATOM 1312 CA THR B 25 -9.347 9.565 -2.369 1.00 0.24 C ATOM 1313 C THR B 25 -10.253 8.346 -2.475 1.00 0.22 C ATOM 1314 O THR B 25 -11.214 8.326 -3.245 1.00 0.23 O ATOM 1315 CB THR B 25 -8.121 9.355 -3.282 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.295 10.524 -3.253 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.540 9.058 -4.715 1.00 0.29 C ATOM 0 H THR B 25 -7.933 9.695 -0.820 1.00 0.23 H new ATOM 0 HA THR B 25 -9.889 10.454 -2.693 1.00 0.24 H new ATOM 0 HB THR B 25 -7.562 8.497 -2.909 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.994 10.689 -2.335 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.652 8.915 -5.331 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.146 8.152 -4.737 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.122 9.893 -5.105 1.00 0.29 H new ATOM 1325 N LEU B 26 -9.958 7.345 -1.663 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.681 6.086 -1.711 1.00 0.19 C ATOM 1327 C LEU B 26 -11.888 6.163 -0.792 1.00 0.18 C ATOM 1328 O LEU B 26 -12.723 5.260 -0.756 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.771 4.937 -1.274 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.287 5.119 -1.594 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.478 3.954 -1.060 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.058 5.310 -3.089 1.00 0.24 C ATOM 0 H LEU B 26 -9.220 7.381 -0.960 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.011 5.902 -2.733 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.879 4.799 -0.198 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.118 4.020 -1.750 1.00 0.19 H new ATOM 0 HG LEU B 26 -7.946 6.026 -1.095 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.425 4.103 -1.298 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.600 3.891 0.021 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.826 3.029 -1.519 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -6.992 5.436 -3.281 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.422 4.435 -3.628 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.595 6.195 -3.429 1.00 0.24 H new ATOM 1344 N GLY B 27 -11.968 7.269 -0.061 1.00 0.19 N ATOM 1345 CA GLY B 27 -12.996 7.443 0.945 1.00 0.21 C ATOM 1346 C GLY B 27 -12.940 6.379 2.019 1.00 0.24 C ATOM 1347 O GLY B 27 -13.960 6.035 2.619 1.00 0.34 O ATOM 0 H GLY B 27 -11.328 8.058 -0.151 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -12.887 8.425 1.405 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -13.975 7.421 0.467 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.749 5.855 2.262 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.571 4.800 3.243 1.00 0.23 C ATOM 1353 C ILE B 28 -10.823 5.298 4.466 1.00 0.18 C ATOM 1354 O ILE B 28 -10.231 6.383 4.460 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.793 3.598 2.679 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.375 4.019 2.288 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.526 2.989 1.490 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.414 2.858 2.228 1.00 0.47 C ATOM 0 H ILE B 28 -10.891 6.144 1.792 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.578 4.485 3.515 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.724 2.836 3.456 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.403 4.512 1.316 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -9.008 4.752 3.007 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.958 2.141 1.108 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.513 2.652 1.805 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.632 3.738 0.705 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.425 3.219 1.946 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.360 2.379 3.206 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.761 2.136 1.489 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.849 4.478 5.504 1.00 0.19 N ATOM 1371 CA ALA B 29 -10.116 4.726 6.731 1.00 0.18 C ATOM 1372 C ALA B 29 -10.236 3.528 7.639 1.00 0.19 C ATOM 1373 O ALA B 29 -11.211 2.790 7.558 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.629 5.979 7.434 1.00 0.22 C ATOM 0 H ALA B 29 -11.387 3.611 5.517 1.00 0.19 H new ATOM 0 HA ALA B 29 -9.067 4.890 6.484 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -10.061 6.140 8.350 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.509 6.840 6.777 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.684 5.853 7.678 1.00 0.22 H new ATOM 1380 N GLU B 30 -9.214 3.342 8.469 1.00 0.20 N ATOM 1381 CA GLU B 30 -9.191 2.354 9.545 1.00 0.22 C ATOM 1382 C GLU B 30 -9.898 1.024 9.235 1.00 0.24 C ATOM 1383 O GLU B 30 -9.267 0.070 8.788 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.743 2.989 10.826 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.746 4.111 10.588 1.00 0.28 C ATOM 1386 CD GLU B 30 -11.157 4.822 11.862 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -10.269 5.294 12.600 1.00 1.12 O ATOM 1388 OE2 GLU B 30 -12.375 4.924 12.123 1.00 1.11 O ATOM 0 H GLU B 30 -8.355 3.889 8.411 1.00 0.20 H new ATOM 0 HA GLU B 30 -8.146 2.072 9.673 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -10.219 2.213 11.426 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.911 3.380 11.412 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.314 4.836 9.898 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.633 3.701 10.106 1.00 0.28 H new ATOM 1395 N LYS B 31 -11.200 0.968 9.478 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.965 -0.272 9.381 1.00 0.30 C ATOM 1397 C LYS B 31 -12.335 -0.640 7.942 1.00 0.27 C ATOM 1398 O LYS B 31 -13.059 -1.610 7.718 1.00 0.33 O ATOM 1399 CB LYS B 31 -13.236 -0.140 10.214 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.969 0.161 11.678 1.00 0.44 C ATOM 1401 CD LYS B 31 -12.208 -0.976 12.334 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.716 -0.696 12.401 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.979 -1.789 13.084 1.00 0.65 N ATOM 0 H LYS B 31 -11.757 1.779 9.748 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.330 -1.073 9.759 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.856 0.653 9.795 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.808 -1.065 10.139 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.397 1.085 11.765 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.913 0.320 12.199 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -12.593 -1.137 13.341 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -12.380 -1.897 11.777 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -10.324 -0.569 11.392 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -10.546 0.242 12.929 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.965 -1.561 13.110 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -10.335 -1.893 14.056 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -10.120 -2.680 12.566 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.853 0.115 6.967 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.196 -0.162 5.580 1.00 0.21 C ATOM 1419 C ASP B 32 -11.204 -1.135 4.972 1.00 0.19 C ATOM 1420 O ASP B 32 -10.210 -1.499 5.600 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.253 1.119 4.749 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.482 1.955 5.042 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.611 1.492 4.761 1.00 1.18 O ATOM 1424 OD2 ASP B 32 -13.327 3.089 5.537 1.00 1.37 O ATOM 0 H ASP B 32 -11.233 0.913 7.106 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.188 -0.613 5.570 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.360 1.713 4.944 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.239 0.861 3.690 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.488 -1.571 3.761 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.649 -2.548 3.101 1.00 0.19 C ATOM 1431 C ALA B 33 -10.127 -2.044 1.763 1.00 0.19 C ATOM 1432 O ALA B 33 -10.728 -1.175 1.126 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.424 -3.841 2.919 1.00 0.22 C ATOM 0 H ALA B 33 -12.293 -1.264 3.215 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.779 -2.728 3.733 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.792 -4.577 2.422 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.728 -4.223 3.893 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.309 -3.652 2.311 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.995 -2.594 1.364 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.387 -2.314 0.077 1.00 0.19 C ATOM 1441 C LEU B 34 -8.225 -3.621 -0.690 1.00 0.20 C ATOM 1442 O LEU B 34 -8.115 -4.688 -0.089 1.00 0.23 O ATOM 1443 CB LEU B 34 -7.004 -1.666 0.251 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.972 -0.292 0.931 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.075 -0.427 2.445 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.703 0.452 0.544 1.00 0.85 C ATOM 0 H LEU B 34 -8.466 -3.256 1.932 1.00 0.19 H new ATOM 0 HA LEU B 34 -9.031 -1.624 -0.468 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.379 -2.347 0.828 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.546 -1.570 -0.733 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.834 0.281 0.589 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -7.050 0.563 2.901 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -8.011 -0.922 2.703 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.238 -1.019 2.815 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.690 1.427 1.032 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.833 -0.124 0.860 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.676 0.587 -0.537 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.206 -3.531 -2.006 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.923 -4.674 -2.855 1.00 0.20 C ATOM 1460 C GLU B 35 -6.486 -4.595 -3.346 1.00 0.19 C ATOM 1461 O GLU B 35 -6.149 -3.754 -4.181 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.862 -4.733 -4.059 1.00 0.23 C ATOM 1463 CG GLU B 35 -10.208 -5.360 -3.764 1.00 0.78 C ATOM 1464 CD GLU B 35 -10.939 -5.749 -5.033 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -10.637 -6.828 -5.589 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -11.798 -4.973 -5.498 1.00 1.30 O ATOM 0 H GLU B 35 -8.386 -2.666 -2.516 1.00 0.19 H new ATOM 0 HA GLU B 35 -8.076 -5.576 -2.262 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.019 -3.721 -4.434 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.378 -5.297 -4.856 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -10.069 -6.243 -3.140 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -10.818 -4.659 -3.194 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.644 -5.461 -2.819 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.230 -5.454 -3.144 1.00 0.22 C ATOM 1475 C ILE B 36 -3.908 -6.437 -4.265 1.00 0.24 C ATOM 1476 O ILE B 36 -4.178 -7.636 -4.171 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.357 -5.756 -1.896 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.213 -4.504 -1.032 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.981 -6.290 -2.284 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.489 -4.106 -0.333 1.00 0.25 C ATOM 0 H ILE B 36 -5.918 -6.187 -2.156 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.990 -4.449 -3.493 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.863 -6.531 -1.321 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.437 -4.674 -0.286 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.877 -3.677 -1.658 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.401 -6.489 -1.383 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -2.096 -7.213 -2.853 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.462 -5.550 -2.894 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.314 -3.210 0.262 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.262 -3.904 -1.074 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.815 -4.917 0.319 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.337 -5.905 -5.328 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.824 -6.693 -6.424 1.00 0.24 C ATOM 1494 C TYR B 37 -1.309 -6.536 -6.435 1.00 0.18 C ATOM 1495 O TYR B 37 -0.772 -5.714 -5.694 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.406 -6.232 -7.765 1.00 0.31 C ATOM 1497 CG TYR B 37 -4.909 -6.001 -7.758 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -5.449 -4.782 -7.359 1.00 2.07 C ATOM 1499 CD2 TYR B 37 -5.786 -7.003 -8.153 1.00 1.84 C ATOM 1500 CE1 TYR B 37 -6.817 -4.574 -7.350 1.00 3.02 C ATOM 1501 CE2 TYR B 37 -7.155 -6.801 -8.145 1.00 2.78 C ATOM 1502 CZ TYR B 37 -7.664 -5.587 -7.743 1.00 3.21 C ATOM 1503 OH TYR B 37 -9.029 -5.384 -7.734 1.00 4.28 O ATOM 0 H TYR B 37 -3.216 -4.900 -5.453 1.00 0.24 H new ATOM 0 HA TYR B 37 -3.109 -7.736 -6.289 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -2.911 -5.307 -8.062 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.170 -6.978 -8.524 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -4.789 -3.985 -7.051 1.00 2.07 H new ATOM 0 HD2 TYR B 37 -5.392 -7.957 -8.472 1.00 1.84 H new ATOM 0 HE1 TYR B 37 -7.219 -3.622 -7.036 1.00 3.02 H new ATOM 0 HE2 TYR B 37 -7.822 -7.593 -8.453 1.00 2.78 H new ATOM 0 HH TYR B 37 -9.478 -6.192 -7.408 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.612 -7.299 -7.256 1.00 0.21 N ATOM 1514 CA VAL B 38 0.835 -7.171 -7.321 1.00 0.20 C ATOM 1515 C VAL B 38 1.295 -6.986 -8.763 1.00 0.20 C ATOM 1516 O VAL B 38 0.719 -7.563 -9.689 1.00 0.26 O ATOM 1517 CB VAL B 38 1.552 -8.378 -6.672 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.337 -9.655 -7.467 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.032 -8.081 -6.514 1.00 0.21 C ATOM 0 H VAL B 38 -1.013 -8.002 -7.877 1.00 0.21 H new ATOM 0 HA VAL B 38 1.108 -6.284 -6.749 1.00 0.20 H new ATOM 0 HB VAL B 38 1.117 -8.538 -5.686 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.856 -10.479 -6.979 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.271 -9.877 -7.518 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.729 -9.526 -8.476 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.528 -8.937 -6.056 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.471 -7.888 -7.493 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.161 -7.204 -5.879 1.00 0.21 H new ATOM 1529 N ASP B 39 2.313 -6.159 -8.949 1.00 0.18 N ATOM 1530 CA ASP B 39 2.840 -5.879 -10.275 1.00 0.22 C ATOM 1531 C ASP B 39 4.360 -5.954 -10.259 1.00 0.26 C ATOM 1532 O ASP B 39 5.035 -4.966 -9.963 1.00 0.29 O ATOM 1533 CB ASP B 39 2.376 -4.499 -10.759 1.00 0.24 C ATOM 1534 CG ASP B 39 2.866 -4.174 -12.156 1.00 0.39 C ATOM 1535 OD1 ASP B 39 2.333 -4.751 -13.127 1.00 1.12 O ATOM 1536 OD2 ASP B 39 3.774 -3.330 -12.293 1.00 1.07 O ATOM 0 H ASP B 39 2.792 -5.668 -8.194 1.00 0.18 H new ATOM 0 HA ASP B 39 2.459 -6.629 -10.968 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.287 -4.460 -10.742 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.733 -3.737 -10.067 1.00 0.24 H new ATOM 1541 N ASP B 40 4.881 -7.147 -10.543 1.00 0.30 N ATOM 1542 CA ASP B 40 6.321 -7.412 -10.540 1.00 0.36 C ATOM 1543 C ASP B 40 6.935 -7.174 -9.174 1.00 0.39 C ATOM 1544 O ASP B 40 6.978 -8.073 -8.333 1.00 0.46 O ATOM 1545 CB ASP B 40 7.064 -6.569 -11.582 1.00 0.48 C ATOM 1546 CG ASP B 40 7.029 -7.184 -12.964 1.00 0.92 C ATOM 1547 OD1 ASP B 40 6.026 -6.992 -13.684 1.00 1.59 O ATOM 1548 OD2 ASP B 40 8.006 -7.867 -13.336 1.00 1.64 O ATOM 0 H ASP B 40 4.315 -7.961 -10.783 1.00 0.30 H new ATOM 0 HA ASP B 40 6.432 -8.465 -10.799 1.00 0.36 H new ATOM 0 HB2 ASP B 40 6.621 -5.574 -11.621 1.00 0.48 H new ATOM 0 HB3 ASP B 40 8.101 -6.445 -11.270 1.00 0.48 H new ATOM 1553 N GLU B 41 7.401 -5.957 -8.957 1.00 0.45 N ATOM 1554 CA GLU B 41 8.062 -5.604 -7.718 1.00 0.58 C ATOM 1555 C GLU B 41 7.386 -4.398 -7.085 1.00 0.41 C ATOM 1556 O GLU B 41 7.912 -3.802 -6.146 1.00 0.46 O ATOM 1557 CB GLU B 41 9.537 -5.306 -7.976 1.00 0.87 C ATOM 1558 CG GLU B 41 10.254 -6.423 -8.710 1.00 1.33 C ATOM 1559 CD GLU B 41 11.725 -6.141 -8.890 1.00 1.98 C ATOM 1560 OE1 GLU B 41 12.504 -6.413 -7.955 1.00 2.10 O ATOM 1561 OE2 GLU B 41 12.110 -5.633 -9.964 1.00 2.81 O ATOM 0 H GLU B 41 7.332 -5.193 -9.629 1.00 0.45 H new ATOM 0 HA GLU B 41 7.988 -6.446 -7.030 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.619 -4.387 -8.557 1.00 0.87 H new ATOM 0 HB3 GLU B 41 10.036 -5.127 -7.024 1.00 0.87 H new ATOM 0 HG2 GLU B 41 10.130 -7.355 -8.158 1.00 1.33 H new ATOM 0 HG3 GLU B 41 9.792 -6.567 -9.687 1.00 1.33 H new ATOM 1568 N LYS B 42 6.227 -4.025 -7.610 1.00 0.34 N ATOM 1569 CA LYS B 42 5.446 -2.953 -7.029 1.00 0.31 C ATOM 1570 C LYS B 42 4.145 -3.519 -6.496 1.00 0.24 C ATOM 1571 O LYS B 42 3.660 -4.542 -6.981 1.00 0.27 O ATOM 1572 CB LYS B 42 5.126 -1.877 -8.060 1.00 0.44 C ATOM 1573 CG LYS B 42 6.307 -1.463 -8.914 1.00 0.84 C ATOM 1574 CD LYS B 42 5.953 -1.501 -10.390 1.00 0.92 C ATOM 1575 CE LYS B 42 4.786 -0.584 -10.723 1.00 0.48 C ATOM 1576 NZ LYS B 42 4.379 -0.727 -12.146 1.00 0.98 N ATOM 0 H LYS B 42 5.811 -4.452 -8.438 1.00 0.34 H new ATOM 0 HA LYS B 42 6.030 -2.502 -6.227 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.330 -2.239 -8.711 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.740 -0.998 -7.543 1.00 0.44 H new ATOM 0 HG2 LYS B 42 6.624 -0.457 -8.639 1.00 0.84 H new ATOM 0 HG3 LYS B 42 7.150 -2.127 -8.722 1.00 0.84 H new ATOM 0 HD2 LYS B 42 6.823 -1.208 -10.978 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.704 -2.523 -10.676 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.941 -0.817 -10.075 1.00 0.48 H new ATOM 0 HE3 LYS B 42 5.065 0.451 -10.524 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.754 0.062 -12.409 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 5.224 -0.716 -12.752 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.873 -1.627 -12.274 1.00 0.98 H new ATOM 1590 N ILE B 43 3.575 -2.854 -5.514 1.00 0.20 N ATOM 1591 CA ILE B 43 2.328 -3.299 -4.934 1.00 0.19 C ATOM 1592 C ILE B 43 1.198 -2.376 -5.360 1.00 0.18 C ATOM 1593 O ILE B 43 1.360 -1.154 -5.387 1.00 0.20 O ATOM 1594 CB ILE B 43 2.417 -3.341 -3.402 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.612 -4.200 -2.978 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.122 -3.886 -2.816 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.026 -4.009 -1.539 1.00 0.42 C ATOM 0 H ILE B 43 3.956 -2.003 -5.101 1.00 0.20 H new ATOM 0 HA ILE B 43 2.127 -4.308 -5.294 1.00 0.19 H new ATOM 0 HB ILE B 43 2.563 -2.330 -3.021 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.367 -5.250 -3.138 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.460 -3.969 -3.623 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.197 -3.911 -1.729 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.292 -3.243 -3.108 1.00 0.28 H new ATOM 0 HG23 ILE B 43 0.949 -4.895 -3.191 1.00 0.28 H new ATOM 0 HD11 ILE B 43 4.878 -4.652 -1.317 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.305 -2.968 -1.376 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.195 -4.269 -0.884 1.00 0.42 H new ATOM 1609 N ILE B 44 0.067 -2.969 -5.694 1.00 0.17 N ATOM 1610 CA ILE B 44 -1.082 -2.224 -6.180 1.00 0.17 C ATOM 1611 C ILE B 44 -2.207 -2.322 -5.163 1.00 0.18 C ATOM 1612 O ILE B 44 -2.681 -3.409 -4.876 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.592 -2.782 -7.528 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.428 -3.066 -8.489 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.580 -1.810 -8.159 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.410 -1.853 -8.834 1.00 0.25 C ATOM 0 H ILE B 44 -0.082 -3.976 -5.637 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.774 -1.189 -6.325 1.00 0.17 H new ATOM 0 HB ILE B 44 -2.101 -3.726 -7.333 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.217 -3.824 -8.044 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.829 -3.489 -9.410 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.932 -2.214 -9.108 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.428 -1.666 -7.489 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -2.088 -0.853 -8.332 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.208 -2.144 -9.517 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.218 -1.100 -9.310 1.00 0.25 H new ATOM 0 HD13 ILE B 44 0.844 -1.440 -7.924 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.633 -1.208 -4.607 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.694 -1.247 -3.616 1.00 0.20 C ATOM 1630 C LEU B 45 -4.835 -0.350 -4.046 1.00 0.21 C ATOM 1631 O LEU B 45 -4.732 0.872 -4.029 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.204 -0.825 -2.227 1.00 0.36 C ATOM 1633 CG LEU B 45 -1.807 -1.314 -1.831 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -0.734 -0.453 -2.474 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.650 -1.308 -0.322 1.00 1.22 C ATOM 0 H LEU B 45 -2.271 -0.278 -4.817 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.036 -2.280 -3.547 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -3.215 0.264 -2.175 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.917 -1.186 -1.486 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.690 -2.336 -2.190 1.00 0.43 H new ATOM 0 HD11 LEU B 45 0.250 -0.818 -2.180 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -0.830 -0.502 -3.559 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -0.851 0.580 -2.146 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.652 -1.658 -0.059 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.790 -0.295 0.054 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -2.395 -1.967 0.124 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.910 -0.973 -4.446 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.117 -0.272 -4.808 1.00 0.25 C ATOM 1649 C LYS B 46 -8.031 -0.277 -3.604 1.00 0.29 C ATOM 1650 O LYS B 46 -7.806 -1.031 -2.672 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.771 -0.995 -5.989 1.00 0.31 C ATOM 1652 CG LYS B 46 -8.989 -0.307 -6.569 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.730 -1.252 -7.489 1.00 0.65 C ATOM 1654 CE LYS B 46 -10.413 -2.340 -6.681 1.00 0.97 C ATOM 1655 NZ LYS B 46 -10.989 -3.411 -7.533 1.00 1.22 N ATOM 0 H LYS B 46 -5.976 -1.987 -4.531 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.909 0.756 -5.104 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -7.029 -1.113 -6.779 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -8.057 -1.997 -5.668 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.648 0.022 -5.765 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.686 0.585 -7.118 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.470 -0.701 -8.069 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -9.035 -1.699 -8.200 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -9.694 -2.779 -5.990 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -11.205 -1.896 -6.078 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -11.676 -3.962 -6.980 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -11.467 -2.984 -8.352 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -10.228 -4.038 -7.864 1.00 1.22 H new ATOM 1669 N LYS B 47 -9.023 0.578 -3.590 1.00 0.23 N ATOM 1670 CA LYS B 47 -10.042 0.493 -2.557 1.00 0.25 C ATOM 1671 C LYS B 47 -10.900 -0.740 -2.812 1.00 0.26 C ATOM 1672 O LYS B 47 -11.049 -1.171 -3.957 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.916 1.752 -2.527 1.00 0.31 C ATOM 1674 CG LYS B 47 -11.794 1.929 -3.761 1.00 1.18 C ATOM 1675 CD LYS B 47 -12.757 3.092 -3.598 1.00 1.15 C ATOM 1676 CE LYS B 47 -13.704 3.199 -4.783 1.00 2.19 C ATOM 1677 NZ LYS B 47 -13.035 3.731 -6.003 1.00 2.50 N ATOM 0 H LYS B 47 -9.152 1.331 -4.266 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.553 0.413 -1.586 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.553 1.718 -1.643 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -10.273 2.626 -2.424 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -11.165 2.096 -4.635 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -12.356 1.013 -3.943 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -13.332 2.964 -2.681 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -12.195 4.020 -3.495 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -14.120 2.216 -5.001 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -14.539 3.848 -4.519 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -13.460 4.645 -6.261 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -12.021 3.862 -5.814 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -13.157 3.059 -6.787 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.435 -1.322 -1.751 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.323 -2.464 -1.879 1.00 0.40 C ATOM 1693 C TYR B 48 -13.550 -2.060 -2.689 1.00 0.51 C ATOM 1694 O TYR B 48 -13.972 -0.904 -2.631 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.737 -2.940 -0.484 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.514 -4.235 -0.454 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -12.945 -5.421 -0.893 1.00 1.59 C ATOM 1698 CD2 TYR B 48 -14.811 -4.271 0.038 1.00 2.03 C ATOM 1699 CE1 TYR B 48 -13.645 -6.612 -0.837 1.00 2.26 C ATOM 1700 CE2 TYR B 48 -15.520 -5.453 0.093 1.00 2.67 C ATOM 1701 CZ TYR B 48 -14.934 -6.621 -0.346 1.00 2.61 C ATOM 1702 OH TYR B 48 -15.636 -7.805 -0.282 1.00 3.39 O ATOM 0 H TYR B 48 -11.269 -1.021 -0.791 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.813 -3.278 -2.394 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.840 -3.058 0.124 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -13.339 -2.162 -0.015 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -11.939 -5.414 -1.285 1.00 1.59 H new ATOM 0 HD2 TYR B 48 -15.273 -3.358 0.384 1.00 2.03 H new ATOM 0 HE1 TYR B 48 -13.186 -7.529 -1.175 1.00 2.26 H new ATOM 0 HE2 TYR B 48 -16.529 -5.463 0.478 1.00 2.67 H new ATOM 0 HH TYR B 48 -16.527 -7.637 0.089 1.00 3.39 H new