USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot -32:sc= 0.777 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.863 K(o=1.9,f=-2.4) USER MOD Set 1.3: A 81 THR OG1 : rot 140:sc= 0.261 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 1.11 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.827 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.19 K(o=1.2,f=-0.16) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0155 USER MOD Single : A 25 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.48) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 71:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= 1.06 (180deg=0.521) USER MOD Single : A 39 SER OG : rot -138:sc= 0.221 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 73:sc= 1.17 USER MOD Single : A 49 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.5) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -120:sc= 1.19 USER MOD Single : A 64 GLN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= -0.958 (180deg=-2.7!) USER MOD Single : A 75 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.480 9.037 2.990 1.00 0.00 N ATOM 82 CA PRO A 6 -7.410 9.336 3.942 1.00 0.00 C ATOM 83 C PRO A 6 -6.852 8.076 4.594 1.00 0.00 C ATOM 84 O PRO A 6 -7.573 7.091 4.796 1.00 0.00 O ATOM 85 CB PRO A 6 -8.075 10.233 4.988 1.00 0.00 C ATOM 86 CG PRO A 6 -9.539 10.008 4.836 1.00 0.00 C ATOM 87 CD PRO A 6 -9.769 9.617 3.404 1.00 0.00 C ATOM 0 HA PRO A 6 -6.559 9.809 3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.741 9.976 5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.820 11.280 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.882 9.224 5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.097 10.910 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.581 8.896 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.036 10.478 2.792 1.00 0.00 H new ATOM 95 N ILE A 7 -5.575 8.116 4.945 1.00 0.00 N ATOM 96 CA ILE A 7 -4.892 6.940 5.466 1.00 0.00 C ATOM 97 C ILE A 7 -5.402 6.590 6.862 1.00 0.00 C ATOM 98 O ILE A 7 -5.365 5.432 7.269 1.00 0.00 O ATOM 99 CB ILE A 7 -3.354 7.133 5.487 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.639 5.822 5.848 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.961 8.234 6.457 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.925 4.686 4.891 1.00 0.00 C ATOM 0 H ILE A 7 -4.991 8.949 4.879 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.115 6.111 4.794 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.042 7.428 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.564 6.001 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.937 5.522 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.877 8.351 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.428 9.171 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.295 7.971 7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.385 3.795 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.995 4.478 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.601 4.965 3.888 1.00 0.00 H new ATOM 114 N THR A 8 -5.926 7.584 7.570 1.00 0.00 N ATOM 115 CA THR A 8 -6.459 7.372 8.910 1.00 0.00 C ATOM 116 C THR A 8 -7.602 6.347 8.893 1.00 0.00 C ATOM 117 O THR A 8 -7.891 5.705 9.903 1.00 0.00 O ATOM 118 CB THR A 8 -6.943 8.706 9.533 1.00 0.00 C ATOM 119 OG1 THR A 8 -7.278 8.529 10.915 1.00 0.00 O ATOM 120 CG2 THR A 8 -8.151 9.260 8.786 1.00 0.00 C ATOM 0 H THR A 8 -5.993 8.546 7.238 1.00 0.00 H new ATOM 0 HA THR A 8 -5.652 6.977 9.527 1.00 0.00 H new ATOM 0 HB THR A 8 -6.123 9.419 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.580 9.383 11.290 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.466 10.196 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.884 9.441 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.968 8.540 8.831 1.00 0.00 H new ATOM 128 N GLU A 9 -8.231 6.186 7.732 1.00 0.00 N ATOM 129 CA GLU A 9 -9.304 5.216 7.562 1.00 0.00 C ATOM 130 C GLU A 9 -8.761 3.927 6.946 1.00 0.00 C ATOM 131 O GLU A 9 -9.008 2.822 7.441 1.00 0.00 O ATOM 132 CB GLU A 9 -10.390 5.796 6.650 1.00 0.00 C ATOM 133 CG GLU A 9 -11.046 7.058 7.185 1.00 0.00 C ATOM 134 CD GLU A 9 -11.939 6.793 8.380 1.00 0.00 C ATOM 135 OE1 GLU A 9 -13.131 6.469 8.176 1.00 0.00 O ATOM 136 OE2 GLU A 9 -11.459 6.908 9.526 1.00 0.00 O ATOM 0 H GLU A 9 -8.013 6.720 6.891 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.729 4.993 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.952 6.013 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.159 5.039 6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.273 7.773 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.635 7.520 6.393 1.00 0.00 H new ATOM 143 N VAL A 10 -8.000 4.086 5.871 1.00 0.00 N ATOM 144 CA VAL A 10 -7.517 2.956 5.090 1.00 0.00 C ATOM 145 C VAL A 10 -6.496 2.123 5.856 1.00 0.00 C ATOM 146 O VAL A 10 -6.511 0.901 5.772 1.00 0.00 O ATOM 147 CB VAL A 10 -6.905 3.426 3.753 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.333 2.256 2.971 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.948 4.152 2.924 1.00 0.00 C ATOM 0 H VAL A 10 -7.702 4.995 5.518 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.383 2.326 4.886 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.089 4.113 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.909 2.617 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.554 1.771 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.126 1.539 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.503 4.478 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.781 3.480 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.310 5.020 3.474 1.00 0.00 H new ATOM 159 N LEU A 11 -5.625 2.784 6.610 1.00 0.00 N ATOM 160 CA LEU A 11 -4.566 2.104 7.350 1.00 0.00 C ATOM 161 C LEU A 11 -5.114 0.976 8.244 1.00 0.00 C ATOM 162 O LEU A 11 -4.747 -0.186 8.057 1.00 0.00 O ATOM 163 CB LEU A 11 -3.763 3.125 8.165 1.00 0.00 C ATOM 164 CG LEU A 11 -2.956 2.561 9.331 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.911 1.576 8.842 1.00 0.00 C ATOM 166 CD2 LEU A 11 -2.310 3.689 10.116 1.00 0.00 C ATOM 0 H LEU A 11 -5.631 3.797 6.726 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.901 1.628 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.079 3.642 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.453 3.874 8.554 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.636 2.023 9.992 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.350 1.189 9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.402 0.751 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.229 2.079 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.737 3.274 10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.645 4.253 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.084 4.351 10.505 1.00 0.00 H new ATOM 178 N PRO A 12 -5.986 1.282 9.228 1.00 0.00 N ATOM 179 CA PRO A 12 -6.556 0.255 10.103 1.00 0.00 C ATOM 180 C PRO A 12 -7.454 -0.730 9.357 1.00 0.00 C ATOM 181 O PRO A 12 -7.494 -1.913 9.689 1.00 0.00 O ATOM 182 CB PRO A 12 -7.363 1.053 11.129 1.00 0.00 C ATOM 183 CG PRO A 12 -7.638 2.359 10.474 1.00 0.00 C ATOM 184 CD PRO A 12 -6.459 2.630 9.592 1.00 0.00 C ATOM 0 HA PRO A 12 -5.777 -0.365 10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.289 0.539 11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.802 1.186 12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.560 2.319 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.762 3.149 11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.740 3.208 8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.689 3.198 10.114 1.00 0.00 H new ATOM 192 N ARG A 13 -8.156 -0.251 8.333 1.00 0.00 N ATOM 193 CA ARG A 13 -9.086 -1.094 7.594 1.00 0.00 C ATOM 194 C ARG A 13 -8.406 -1.812 6.428 1.00 0.00 C ATOM 195 O ARG A 13 -9.075 -2.352 5.548 1.00 0.00 O ATOM 196 CB ARG A 13 -10.252 -0.253 7.086 1.00 0.00 C ATOM 197 CG ARG A 13 -11.100 0.322 8.204 1.00 0.00 C ATOM 198 CD ARG A 13 -12.182 1.237 7.668 1.00 0.00 C ATOM 199 NE ARG A 13 -12.901 1.901 8.751 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.272 3.178 8.724 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.087 3.901 7.631 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.846 3.724 9.784 1.00 0.00 N ATOM 0 H ARG A 13 -8.098 0.711 7.999 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.455 -1.860 8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.865 0.562 6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.880 -0.866 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.557 -0.490 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.465 0.875 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.736 1.985 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.882 0.660 7.064 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.133 1.352 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.659 3.479 6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.372 4.880 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.004 3.165 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.130 4.703 9.762 1.00 0.00 H new ATOM 216 N ALA A 14 -7.082 -1.817 6.423 1.00 0.00 N ATOM 217 CA ALA A 14 -6.333 -2.498 5.379 1.00 0.00 C ATOM 218 C ALA A 14 -5.995 -3.921 5.800 1.00 0.00 C ATOM 219 O ALA A 14 -5.801 -4.200 6.984 1.00 0.00 O ATOM 220 CB ALA A 14 -5.060 -1.735 5.042 1.00 0.00 C ATOM 0 H ALA A 14 -6.505 -1.358 7.128 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.959 -2.538 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.516 -2.263 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.317 -0.734 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.434 -1.660 5.931 1.00 0.00 H new ATOM 226 N VAL A 15 -5.933 -4.814 4.825 1.00 0.00 N ATOM 227 CA VAL A 15 -5.605 -6.210 5.076 1.00 0.00 C ATOM 228 C VAL A 15 -4.323 -6.601 4.346 1.00 0.00 C ATOM 229 O VAL A 15 -3.886 -7.753 4.396 1.00 0.00 O ATOM 230 CB VAL A 15 -6.752 -7.148 4.646 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.975 -6.937 5.523 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.104 -6.930 3.180 1.00 0.00 C ATOM 0 H VAL A 15 -6.107 -4.595 3.844 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.456 -6.320 6.150 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.414 -8.177 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.772 -7.608 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.719 -7.147 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.313 -5.904 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.915 -7.601 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.419 -5.897 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.230 -7.136 2.562 1.00 0.00 H new ATOM 242 N GLY A 16 -3.733 -5.634 3.661 1.00 0.00 N ATOM 243 CA GLY A 16 -2.490 -5.861 2.957 1.00 0.00 C ATOM 244 C GLY A 16 -1.841 -4.556 2.560 1.00 0.00 C ATOM 245 O GLY A 16 -2.488 -3.510 2.590 1.00 0.00 O ATOM 0 H GLY A 16 -4.099 -4.685 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.810 -6.431 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.677 -6.462 2.067 1.00 0.00 H new ATOM 249 N SER A 17 -0.575 -4.606 2.189 1.00 0.00 N ATOM 250 CA SER A 17 0.141 -3.411 1.784 1.00 0.00 C ATOM 251 C SER A 17 1.317 -3.756 0.877 1.00 0.00 C ATOM 252 O SER A 17 1.934 -4.816 1.010 1.00 0.00 O ATOM 253 CB SER A 17 0.631 -2.646 3.015 1.00 0.00 C ATOM 254 OG SER A 17 1.294 -3.509 3.924 1.00 0.00 O ATOM 0 H SER A 17 -0.021 -5.462 2.160 1.00 0.00 H new ATOM 0 HA SER A 17 -0.546 -2.779 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.308 -1.850 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.215 -2.171 3.512 1.00 0.00 H new ATOM 0 HG SER A 17 1.598 -2.995 4.701 1.00 0.00 H new ATOM 260 N LEU A 18 1.596 -2.865 -0.058 1.00 0.00 N ATOM 261 CA LEU A 18 2.751 -2.993 -0.922 1.00 0.00 C ATOM 262 C LEU A 18 3.651 -1.778 -0.776 1.00 0.00 C ATOM 263 O LEU A 18 3.250 -0.658 -1.094 1.00 0.00 O ATOM 264 CB LEU A 18 2.325 -3.149 -2.380 1.00 0.00 C ATOM 265 CG LEU A 18 2.124 -4.590 -2.850 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.534 -4.624 -4.251 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.443 -5.339 -2.825 1.00 0.00 C ATOM 0 H LEU A 18 1.029 -2.036 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 18 3.301 -3.886 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.394 -2.602 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.077 -2.679 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 18 1.425 -5.076 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.400 -5.659 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.569 -4.117 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.209 -4.120 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.286 -6.364 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.155 -4.845 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.837 -5.348 -1.809 1.00 0.00 H new ATOM 279 N THR A 19 4.853 -2.000 -0.289 1.00 0.00 N ATOM 280 CA THR A 19 5.801 -0.921 -0.091 1.00 0.00 C ATOM 281 C THR A 19 6.694 -0.776 -1.314 1.00 0.00 C ATOM 282 O THR A 19 7.491 -1.661 -1.622 1.00 0.00 O ATOM 283 CB THR A 19 6.673 -1.159 1.154 1.00 0.00 C ATOM 284 OG1 THR A 19 5.838 -1.368 2.302 1.00 0.00 O ATOM 285 CG2 THR A 19 7.599 0.023 1.406 1.00 0.00 C ATOM 0 H THR A 19 5.199 -2.921 -0.021 1.00 0.00 H new ATOM 0 HA THR A 19 5.231 -0.004 0.059 1.00 0.00 H new ATOM 0 HB THR A 19 7.283 -2.045 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.399 -1.521 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.204 -0.171 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.252 0.164 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.005 0.924 1.563 1.00 0.00 H new ATOM 293 N PHE A 20 6.531 0.327 -2.016 1.00 0.00 N ATOM 294 CA PHE A 20 7.322 0.622 -3.196 1.00 0.00 C ATOM 295 C PHE A 20 8.314 1.741 -2.908 1.00 0.00 C ATOM 296 O PHE A 20 8.117 2.557 -2.001 1.00 0.00 O ATOM 297 CB PHE A 20 6.417 1.035 -4.363 1.00 0.00 C ATOM 298 CG PHE A 20 5.738 -0.098 -5.076 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.135 -1.128 -4.375 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.697 -0.121 -6.461 1.00 0.00 C ATOM 301 CE1 PHE A 20 4.506 -2.161 -5.043 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.068 -1.147 -7.132 1.00 0.00 C ATOM 303 CZ PHE A 20 4.473 -2.168 -6.422 1.00 0.00 C ATOM 0 H PHE A 20 5.845 1.046 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 20 7.868 -0.281 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.654 1.716 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.014 1.592 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.156 -1.124 -3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.164 0.675 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.041 -2.961 -4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.041 -1.151 -8.212 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.981 -2.974 -6.946 1.00 0.00 H new ATOM 313 N ASP A 21 9.383 1.765 -3.674 1.00 0.00 N ATOM 314 CA ASP A 21 10.374 2.817 -3.574 1.00 0.00 C ATOM 315 C ASP A 21 9.962 3.996 -4.452 1.00 0.00 C ATOM 316 O ASP A 21 9.023 3.885 -5.237 1.00 0.00 O ATOM 317 CB ASP A 21 11.751 2.277 -3.981 1.00 0.00 C ATOM 318 CG ASP A 21 12.838 3.330 -3.947 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.084 3.905 -2.867 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.420 3.610 -5.011 1.00 0.00 O ATOM 0 H ASP A 21 9.590 1.060 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 21 10.438 3.164 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.025 1.459 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.688 1.861 -4.987 1.00 0.00 H new ATOM 325 N GLU A 22 10.654 5.120 -4.318 1.00 0.00 N ATOM 326 CA GLU A 22 10.357 6.299 -5.115 1.00 0.00 C ATOM 327 C GLU A 22 10.692 6.053 -6.585 1.00 0.00 C ATOM 328 O GLU A 22 10.219 6.767 -7.470 1.00 0.00 O ATOM 329 CB GLU A 22 11.122 7.501 -4.570 1.00 0.00 C ATOM 330 CG GLU A 22 12.625 7.307 -4.522 1.00 0.00 C ATOM 331 CD GLU A 22 13.323 8.432 -3.793 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.496 9.517 -4.390 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.690 8.240 -2.614 1.00 0.00 O ATOM 0 H GLU A 22 11.427 5.238 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 22 9.290 6.511 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.898 8.371 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.762 7.722 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.852 6.361 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.013 7.239 -5.538 1.00 0.00 H new ATOM 340 N ASN A 23 11.502 5.028 -6.838 1.00 0.00 N ATOM 341 CA ASN A 23 11.789 4.587 -8.193 1.00 0.00 C ATOM 342 C ASN A 23 10.716 3.609 -8.667 1.00 0.00 C ATOM 343 O ASN A 23 10.833 3.015 -9.738 1.00 0.00 O ATOM 344 CB ASN A 23 13.163 3.917 -8.261 1.00 0.00 C ATOM 345 CG ASN A 23 14.310 4.890 -8.067 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.803 5.484 -9.026 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.749 5.052 -6.828 1.00 0.00 N ATOM 0 H ASN A 23 11.973 4.486 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 23 11.791 5.461 -8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.220 3.141 -7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.273 3.424 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.524 5.688 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.312 4.540 -6.061 1.00 0.00 H new ATOM 354 N TYR A 24 9.672 3.457 -7.847 1.00 0.00 N ATOM 355 CA TYR A 24 8.538 2.574 -8.137 1.00 0.00 C ATOM 356 C TYR A 24 8.969 1.109 -8.133 1.00 0.00 C ATOM 357 O TYR A 24 8.361 0.260 -8.786 1.00 0.00 O ATOM 358 CB TYR A 24 7.875 2.966 -9.464 1.00 0.00 C ATOM 359 CG TYR A 24 7.394 4.402 -9.471 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.196 4.759 -8.864 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.150 5.402 -10.066 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.767 6.072 -8.853 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.730 6.717 -10.056 1.00 0.00 C ATOM 364 CZ TYR A 24 6.538 7.048 -9.450 1.00 0.00 C ATOM 365 OH TYR A 24 6.120 8.361 -9.436 1.00 0.00 O ATOM 0 H TYR A 24 9.589 3.947 -6.956 1.00 0.00 H new ATOM 0 HA TYR A 24 7.797 2.695 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.585 2.820 -10.278 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.031 2.303 -9.655 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.591 3.998 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.084 5.147 -10.545 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.832 6.333 -8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.333 7.483 -10.521 1.00 0.00 H new ATOM 0 HH TYR A 24 6.779 8.919 -9.899 1.00 0.00 H new ATOM 375 N ASN A 25 10.005 0.822 -7.357 1.00 0.00 N ATOM 376 CA ASN A 25 10.500 -0.540 -7.200 1.00 0.00 C ATOM 377 C ASN A 25 9.853 -1.188 -5.984 1.00 0.00 C ATOM 378 O ASN A 25 9.765 -0.570 -4.925 1.00 0.00 O ATOM 379 CB ASN A 25 12.025 -0.543 -7.032 1.00 0.00 C ATOM 380 CG ASN A 25 12.752 0.040 -8.228 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.297 -0.073 -9.366 1.00 0.00 O ATOM 382 ND2 ASN A 25 13.890 0.673 -7.977 1.00 0.00 N ATOM 0 H ASN A 25 10.523 1.520 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 25 10.244 -1.107 -8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.288 0.026 -6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.365 -1.566 -6.869 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.422 1.088 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.233 0.745 -7.019 1.00 0.00 H new ATOM 389 N LEU A 26 9.388 -2.420 -6.138 1.00 0.00 N ATOM 390 CA LEU A 26 8.791 -3.151 -5.033 1.00 0.00 C ATOM 391 C LEU A 26 9.833 -3.449 -3.960 1.00 0.00 C ATOM 392 O LEU A 26 10.864 -4.064 -4.234 1.00 0.00 O ATOM 393 CB LEU A 26 8.152 -4.449 -5.541 1.00 0.00 C ATOM 394 CG LEU A 26 7.621 -5.389 -4.457 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.677 -4.649 -3.529 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.919 -6.584 -5.090 1.00 0.00 C ATOM 0 H LEU A 26 9.414 -2.933 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 26 8.013 -2.532 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.330 -4.192 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.889 -4.988 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 26 8.464 -5.753 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.309 -5.333 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.207 -3.824 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.836 -4.258 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.546 -7.244 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.084 -6.235 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.623 -7.129 -5.719 1.00 0.00 H new ATOM 408 N LEU A 27 9.565 -2.993 -2.748 1.00 0.00 N ATOM 409 CA LEU A 27 10.464 -3.217 -1.631 1.00 0.00 C ATOM 410 C LEU A 27 9.911 -4.300 -0.712 1.00 0.00 C ATOM 411 O LEU A 27 10.565 -5.310 -0.457 1.00 0.00 O ATOM 412 CB LEU A 27 10.661 -1.926 -0.834 1.00 0.00 C ATOM 413 CG LEU A 27 11.224 -0.743 -1.624 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.274 0.497 -0.745 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.609 -1.073 -2.165 1.00 0.00 C ATOM 0 H LEU A 27 8.726 -2.462 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 27 11.425 -3.541 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.701 -1.632 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.330 -2.134 0.001 1.00 0.00 H new ATOM 0 HG LEU A 27 10.567 -0.543 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.676 1.333 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.268 0.742 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.913 0.306 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.994 -0.220 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.280 -1.296 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.546 -1.940 -2.823 1.00 0.00 H new ATOM 427 N ASP A 28 8.691 -4.091 -0.237 1.00 0.00 N ATOM 428 CA ASP A 28 8.088 -4.989 0.741 1.00 0.00 C ATOM 429 C ASP A 28 6.671 -5.371 0.340 1.00 0.00 C ATOM 430 O ASP A 28 5.958 -4.582 -0.280 1.00 0.00 O ATOM 431 CB ASP A 28 8.076 -4.328 2.121 1.00 0.00 C ATOM 432 CG ASP A 28 7.434 -5.202 3.177 1.00 0.00 C ATOM 433 OD1 ASP A 28 8.155 -6.013 3.800 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.209 -5.087 3.391 1.00 0.00 O ATOM 0 H ASP A 28 8.098 -3.308 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 28 8.688 -5.898 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.099 -4.097 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.539 -3.381 2.062 1.00 0.00 H new ATOM 439 N THR A 29 6.278 -6.588 0.682 1.00 0.00 N ATOM 440 CA THR A 29 4.936 -7.066 0.418 1.00 0.00 C ATOM 441 C THR A 29 4.332 -7.657 1.696 1.00 0.00 C ATOM 442 O THR A 29 4.838 -8.644 2.230 1.00 0.00 O ATOM 443 CB THR A 29 4.960 -8.133 -0.691 1.00 0.00 C ATOM 444 OG1 THR A 29 5.694 -7.640 -1.821 1.00 0.00 O ATOM 445 CG2 THR A 29 3.554 -8.503 -1.127 1.00 0.00 C ATOM 0 H THR A 29 6.880 -7.267 1.148 1.00 0.00 H new ATOM 0 HA THR A 29 4.323 -6.228 0.087 1.00 0.00 H new ATOM 0 HB THR A 29 5.444 -9.025 -0.293 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.709 -8.322 -2.524 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.603 -9.259 -1.911 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.001 -8.899 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.046 -7.617 -1.508 1.00 0.00 H new ATOM 453 N SER A 30 3.260 -7.047 2.187 1.00 0.00 N ATOM 454 CA SER A 30 2.650 -7.477 3.439 1.00 0.00 C ATOM 455 C SER A 30 1.162 -7.763 3.260 1.00 0.00 C ATOM 456 O SER A 30 0.500 -7.164 2.408 1.00 0.00 O ATOM 457 CB SER A 30 2.848 -6.406 4.517 1.00 0.00 C ATOM 458 OG SER A 30 4.224 -6.188 4.780 1.00 0.00 O ATOM 0 H SER A 30 2.797 -6.256 1.739 1.00 0.00 H new ATOM 0 HA SER A 30 3.139 -8.400 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.385 -5.473 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.344 -6.712 5.434 1.00 0.00 H new ATOM 0 HG SER A 30 4.635 -5.732 4.016 1.00 0.00 H new ATOM 464 N GLY A 31 0.645 -8.689 4.059 1.00 0.00 N ATOM 465 CA GLY A 31 -0.774 -8.978 4.058 1.00 0.00 C ATOM 466 C GLY A 31 -1.233 -9.683 2.798 1.00 0.00 C ATOM 467 O GLY A 31 -0.477 -10.433 2.181 1.00 0.00 O ATOM 0 H GLY A 31 1.191 -9.249 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.014 -9.597 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.329 -8.047 4.169 1.00 0.00 H new ATOM 471 N VAL A 32 -2.472 -9.417 2.406 1.00 0.00 N ATOM 472 CA VAL A 32 -3.070 -10.056 1.238 1.00 0.00 C ATOM 473 C VAL A 32 -2.347 -9.660 -0.050 1.00 0.00 C ATOM 474 O VAL A 32 -2.445 -10.343 -1.069 1.00 0.00 O ATOM 475 CB VAL A 32 -4.564 -9.696 1.116 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.219 -10.479 -0.008 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.278 -9.949 2.430 1.00 0.00 C ATOM 0 H VAL A 32 -3.088 -8.758 2.883 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.970 -11.132 1.378 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.642 -8.635 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.273 -10.208 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.724 -10.245 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.131 -11.547 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.332 -9.690 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.188 -11.002 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.828 -9.337 3.212 1.00 0.00 H new ATOM 487 N ALA A 33 -1.589 -8.573 0.008 1.00 0.00 N ATOM 488 CA ALA A 33 -0.857 -8.084 -1.155 1.00 0.00 C ATOM 489 C ALA A 33 0.150 -9.119 -1.655 1.00 0.00 C ATOM 490 O ALA A 33 0.655 -9.025 -2.774 1.00 0.00 O ATOM 491 CB ALA A 33 -0.155 -6.780 -0.820 1.00 0.00 C ATOM 0 H ALA A 33 -1.464 -8.011 0.850 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.575 -7.906 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.388 -6.424 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.893 -6.035 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.545 -6.944 -0.000 1.00 0.00 H new ATOM 497 N LYS A 34 0.437 -10.110 -0.817 1.00 0.00 N ATOM 498 CA LYS A 34 1.355 -11.178 -1.172 1.00 0.00 C ATOM 499 C LYS A 34 0.730 -12.109 -2.204 1.00 0.00 C ATOM 500 O LYS A 34 1.384 -12.508 -3.168 1.00 0.00 O ATOM 501 CB LYS A 34 1.751 -11.966 0.073 1.00 0.00 C ATOM 502 CG LYS A 34 2.460 -11.128 1.125 1.00 0.00 C ATOM 503 CD LYS A 34 2.870 -11.965 2.324 1.00 0.00 C ATOM 504 CE LYS A 34 1.665 -12.600 2.999 1.00 0.00 C ATOM 505 NZ LYS A 34 2.057 -13.470 4.138 1.00 0.00 N ATOM 0 H LYS A 34 0.041 -10.192 0.120 1.00 0.00 H new ATOM 0 HA LYS A 34 2.248 -10.731 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.857 -12.406 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.401 -12.791 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.343 -10.663 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.804 -10.321 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.562 -12.744 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.402 -11.340 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.995 -11.817 3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.109 -13.188 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.205 -13.882 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.676 -14.233 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.565 -12.905 4.848 1.00 0.00 H new ATOM 519 N VAL A 35 -0.543 -12.436 -2.015 1.00 0.00 N ATOM 520 CA VAL A 35 -1.232 -13.357 -2.913 1.00 0.00 C ATOM 521 C VAL A 35 -1.851 -12.611 -4.092 1.00 0.00 C ATOM 522 O VAL A 35 -2.198 -13.213 -5.107 1.00 0.00 O ATOM 523 CB VAL A 35 -2.320 -14.174 -2.177 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.701 -15.012 -1.069 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.404 -13.266 -1.612 1.00 0.00 C ATOM 0 H VAL A 35 -1.118 -12.079 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.482 -14.054 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.784 -14.842 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.482 -15.580 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.972 -15.700 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.205 -14.358 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.154 -13.869 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.960 -12.565 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.875 -12.713 -2.424 1.00 0.00 H new ATOM 535 N ILE A 36 -1.991 -11.300 -3.950 1.00 0.00 N ATOM 536 CA ILE A 36 -2.471 -10.461 -5.036 1.00 0.00 C ATOM 537 C ILE A 36 -1.369 -10.258 -6.076 1.00 0.00 C ATOM 538 O ILE A 36 -0.205 -10.037 -5.726 1.00 0.00 O ATOM 539 CB ILE A 36 -2.959 -9.097 -4.497 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.197 -9.299 -3.619 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.263 -8.136 -5.638 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.617 -8.058 -2.868 1.00 0.00 C ATOM 0 H ILE A 36 -1.778 -10.795 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.313 -10.963 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.164 -8.657 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.025 -9.632 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.998 -10.096 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.604 -7.184 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.361 -7.975 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.042 -8.559 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.500 -8.277 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.806 -7.736 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.849 -7.264 -3.578 1.00 0.00 H new ATOM 554 N GLU A 37 -1.743 -10.358 -7.347 1.00 0.00 N ATOM 555 CA GLU A 37 -0.796 -10.224 -8.446 1.00 0.00 C ATOM 556 C GLU A 37 -0.308 -8.788 -8.589 1.00 0.00 C ATOM 557 O GLU A 37 -1.045 -7.836 -8.324 1.00 0.00 O ATOM 558 CB GLU A 37 -1.431 -10.704 -9.751 1.00 0.00 C ATOM 559 CG GLU A 37 -2.734 -10.000 -10.098 1.00 0.00 C ATOM 560 CD GLU A 37 -3.412 -10.609 -11.304 1.00 0.00 C ATOM 561 OE1 GLU A 37 -4.182 -11.577 -11.132 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.173 -10.136 -12.432 1.00 0.00 O ATOM 0 H GLU A 37 -2.704 -10.533 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 37 0.070 -10.847 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.721 -10.556 -10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.616 -11.776 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.408 -10.047 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.535 -8.946 -10.290 1.00 0.00 H new ATOM 569 N LYS A 38 0.943 -8.640 -9.003 1.00 0.00 N ATOM 570 CA LYS A 38 1.546 -7.325 -9.152 1.00 0.00 C ATOM 571 C LYS A 38 1.308 -6.793 -10.558 1.00 0.00 C ATOM 572 O LYS A 38 2.136 -6.967 -11.453 1.00 0.00 O ATOM 573 CB LYS A 38 3.048 -7.355 -8.834 1.00 0.00 C ATOM 574 CG LYS A 38 3.371 -7.453 -7.343 1.00 0.00 C ATOM 575 CD LYS A 38 2.703 -8.656 -6.702 1.00 0.00 C ATOM 576 CE LYS A 38 3.209 -8.923 -5.299 1.00 0.00 C ATOM 577 NZ LYS A 38 2.530 -10.101 -4.699 1.00 0.00 N ATOM 0 H LYS A 38 1.560 -9.416 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 38 1.071 -6.655 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.500 -8.203 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.511 -6.454 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.450 -7.521 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.044 -6.544 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.625 -8.495 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.877 -9.536 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.285 -9.094 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.040 -8.045 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.175 -9.853 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.734 -10.388 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.206 -10.888 -4.619 1.00 0.00 H new ATOM 591 N SER A 39 0.149 -6.187 -10.746 1.00 0.00 N ATOM 592 CA SER A 39 -0.221 -5.586 -12.017 1.00 0.00 C ATOM 593 C SER A 39 0.507 -4.241 -12.203 1.00 0.00 C ATOM 594 O SER A 39 1.376 -3.905 -11.394 1.00 0.00 O ATOM 595 CB SER A 39 -1.746 -5.428 -12.041 1.00 0.00 C ATOM 596 OG SER A 39 -2.215 -4.772 -10.876 1.00 0.00 O ATOM 0 H SER A 39 -0.563 -6.097 -10.022 1.00 0.00 H new ATOM 0 HA SER A 39 0.081 -6.221 -12.850 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.041 -4.861 -12.924 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.214 -6.409 -12.122 1.00 0.00 H new ATOM 0 HG SER A 39 -3.031 -5.212 -10.559 1.00 0.00 H new ATOM 602 N PRO A 40 0.211 -3.465 -13.280 1.00 0.00 N ATOM 603 CA PRO A 40 0.804 -2.126 -13.493 1.00 0.00 C ATOM 604 C PRO A 40 0.382 -1.095 -12.436 1.00 0.00 C ATOM 605 O PRO A 40 -0.012 0.026 -12.762 1.00 0.00 O ATOM 606 CB PRO A 40 0.274 -1.710 -14.870 1.00 0.00 C ATOM 607 CG PRO A 40 -0.951 -2.529 -15.072 1.00 0.00 C ATOM 608 CD PRO A 40 -0.670 -3.841 -14.404 1.00 0.00 C ATOM 0 HA PRO A 40 1.891 -2.166 -13.423 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.046 -0.644 -14.900 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.010 -1.901 -15.651 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.824 -2.045 -14.634 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.161 -2.666 -16.133 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.585 -4.320 -14.056 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.182 -4.542 -15.082 1.00 0.00 H new ATOM 616 N ILE A 41 0.503 -1.473 -11.172 1.00 0.00 N ATOM 617 CA ILE A 41 0.154 -0.607 -10.060 1.00 0.00 C ATOM 618 C ILE A 41 1.064 0.616 -10.016 1.00 0.00 C ATOM 619 O ILE A 41 0.609 1.718 -9.728 1.00 0.00 O ATOM 620 CB ILE A 41 0.242 -1.368 -8.716 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.669 -2.600 -8.746 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.129 -0.457 -7.554 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.607 -3.436 -7.487 1.00 0.00 C ATOM 0 H ILE A 41 0.847 -2.391 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.874 -0.278 -10.212 1.00 0.00 H new ATOM 0 HB ILE A 41 1.271 -1.697 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.697 -2.276 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.395 -3.222 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.060 -1.013 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.556 0.391 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.149 -0.095 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.278 -4.289 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.412 -3.791 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.910 -2.831 -6.633 1.00 0.00 H new ATOM 635 N ALA A 42 2.342 0.420 -10.335 1.00 0.00 N ATOM 636 CA ALA A 42 3.326 1.502 -10.289 1.00 0.00 C ATOM 637 C ALA A 42 2.922 2.657 -11.202 1.00 0.00 C ATOM 638 O ALA A 42 3.085 3.828 -10.849 1.00 0.00 O ATOM 639 CB ALA A 42 4.703 0.985 -10.666 1.00 0.00 C ATOM 0 H ALA A 42 2.722 -0.480 -10.629 1.00 0.00 H new ATOM 0 HA ALA A 42 3.361 1.879 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.422 1.803 -10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.003 0.204 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.674 0.576 -11.676 1.00 0.00 H new ATOM 645 N GLU A 43 2.374 2.316 -12.365 1.00 0.00 N ATOM 646 CA GLU A 43 1.901 3.315 -13.318 1.00 0.00 C ATOM 647 C GLU A 43 0.761 4.124 -12.704 1.00 0.00 C ATOM 648 O GLU A 43 0.653 5.334 -12.896 1.00 0.00 O ATOM 649 CB GLU A 43 1.427 2.629 -14.604 1.00 0.00 C ATOM 650 CG GLU A 43 1.072 3.594 -15.728 1.00 0.00 C ATOM 651 CD GLU A 43 2.282 4.316 -16.287 1.00 0.00 C ATOM 652 OE1 GLU A 43 2.900 3.796 -17.240 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.619 5.403 -15.784 1.00 0.00 O ATOM 0 H GLU A 43 2.246 1.351 -12.671 1.00 0.00 H new ATOM 0 HA GLU A 43 2.722 3.990 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.209 1.954 -14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.555 2.016 -14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.580 3.045 -16.530 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.356 4.328 -15.358 1.00 0.00 H new ATOM 660 N ILE A 44 -0.078 3.452 -11.936 1.00 0.00 N ATOM 661 CA ILE A 44 -1.200 4.113 -11.297 1.00 0.00 C ATOM 662 C ILE A 44 -0.723 4.889 -10.068 1.00 0.00 C ATOM 663 O ILE A 44 -1.286 5.927 -9.723 1.00 0.00 O ATOM 664 CB ILE A 44 -2.300 3.108 -10.889 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.566 2.106 -12.022 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.584 3.849 -10.538 1.00 0.00 C ATOM 667 CD1 ILE A 44 -3.035 2.746 -13.312 1.00 0.00 C ATOM 0 H ILE A 44 -0.004 2.454 -11.741 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.631 4.805 -12.021 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.955 2.558 -10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.653 1.544 -12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.317 1.389 -11.690 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.352 3.131 -10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.396 4.529 -9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.924 4.418 -11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.201 1.973 -14.062 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.966 3.284 -13.134 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.276 3.442 -13.670 1.00 0.00 H new ATOM 679 N ILE A 45 0.335 4.392 -9.426 1.00 0.00 N ATOM 680 CA ILE A 45 0.913 5.055 -8.259 1.00 0.00 C ATOM 681 C ILE A 45 1.384 6.455 -8.620 1.00 0.00 C ATOM 682 O ILE A 45 1.107 7.418 -7.900 1.00 0.00 O ATOM 683 CB ILE A 45 2.105 4.264 -7.665 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.648 2.907 -7.124 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.782 5.068 -6.562 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.766 2.096 -6.502 1.00 0.00 C ATOM 0 H ILE A 45 0.809 3.530 -9.696 1.00 0.00 H new ATOM 0 HA ILE A 45 0.125 5.105 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 45 2.824 4.089 -8.465 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.868 3.066 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.202 2.333 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.617 4.497 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.150 6.009 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.064 5.274 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.370 1.147 -6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.537 1.906 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.197 2.650 -5.669 1.00 0.00 H new ATOM 698 N ARG A 46 2.090 6.564 -9.738 1.00 0.00 N ATOM 699 CA ARG A 46 2.611 7.843 -10.186 1.00 0.00 C ATOM 700 C ARG A 46 1.481 8.778 -10.604 1.00 0.00 C ATOM 701 O ARG A 46 1.500 9.967 -10.280 1.00 0.00 O ATOM 702 CB ARG A 46 3.615 7.650 -11.323 1.00 0.00 C ATOM 703 CG ARG A 46 3.095 6.852 -12.502 1.00 0.00 C ATOM 704 CD ARG A 46 4.215 6.457 -13.451 1.00 0.00 C ATOM 705 NE ARG A 46 4.985 7.609 -13.921 1.00 0.00 N ATOM 706 CZ ARG A 46 5.228 7.861 -15.207 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.649 7.127 -16.153 1.00 0.00 N ATOM 708 NH2 ARG A 46 6.016 8.877 -15.545 1.00 0.00 N ATOM 0 H ARG A 46 2.314 5.779 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 46 3.134 8.308 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.933 8.630 -11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.500 7.152 -10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.591 5.956 -12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.352 7.440 -13.041 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.883 5.758 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.792 5.933 -14.308 1.00 0.00 H new ATOM 0 HE ARG A 46 5.357 8.256 -13.225 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.017 6.369 -15.895 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.837 7.322 -17.136 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.433 9.462 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.203 9.072 -16.529 1.00 0.00 H new ATOM 722 N LYS A 47 0.491 8.236 -11.302 1.00 0.00 N ATOM 723 CA LYS A 47 -0.686 9.017 -11.668 1.00 0.00 C ATOM 724 C LYS A 47 -1.366 9.550 -10.415 1.00 0.00 C ATOM 725 O LYS A 47 -1.692 10.732 -10.325 1.00 0.00 O ATOM 726 CB LYS A 47 -1.676 8.176 -12.477 1.00 0.00 C ATOM 727 CG LYS A 47 -1.134 7.706 -13.815 1.00 0.00 C ATOM 728 CD LYS A 47 -2.219 7.027 -14.634 1.00 0.00 C ATOM 729 CE LYS A 47 -1.684 6.515 -15.959 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.783 6.074 -16.855 1.00 0.00 N ATOM 0 H LYS A 47 0.478 7.268 -11.624 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.360 9.852 -12.288 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.965 7.306 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.580 8.761 -12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.734 8.556 -14.368 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.308 7.013 -13.654 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.638 6.197 -14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.031 7.731 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.107 7.300 -16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.002 5.683 -15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.383 5.730 -17.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.317 5.308 -16.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.419 6.875 -17.044 1.00 0.00 H new ATOM 744 N SER A 48 -1.542 8.673 -9.435 1.00 0.00 N ATOM 745 CA SER A 48 -2.169 9.040 -8.180 1.00 0.00 C ATOM 746 C SER A 48 -1.293 10.013 -7.395 1.00 0.00 C ATOM 747 O SER A 48 -1.786 10.790 -6.589 1.00 0.00 O ATOM 748 CB SER A 48 -2.426 7.792 -7.343 1.00 0.00 C ATOM 749 OG SER A 48 -3.163 6.829 -8.074 1.00 0.00 O ATOM 0 H SER A 48 -1.255 7.696 -9.490 1.00 0.00 H new ATOM 0 HA SER A 48 -3.116 9.531 -8.404 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.476 7.362 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.972 8.063 -6.439 1.00 0.00 H new ATOM 0 HG SER A 48 -2.584 6.417 -8.749 1.00 0.00 H new ATOM 755 N ASN A 49 0.009 9.958 -7.633 1.00 0.00 N ATOM 756 CA ASN A 49 0.947 10.839 -6.950 1.00 0.00 C ATOM 757 C ASN A 49 0.710 12.285 -7.363 1.00 0.00 C ATOM 758 O ASN A 49 0.878 13.209 -6.568 1.00 0.00 O ATOM 759 CB ASN A 49 2.390 10.432 -7.259 1.00 0.00 C ATOM 760 CG ASN A 49 3.403 11.342 -6.598 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.741 11.163 -5.432 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.906 12.313 -7.341 1.00 0.00 N ATOM 0 H ASN A 49 0.441 9.313 -8.294 1.00 0.00 H new ATOM 0 HA ASN A 49 0.784 10.749 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.555 9.407 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.545 10.445 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.602 12.947 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.598 12.428 -8.307 1.00 0.00 H new ATOM 769 N ALA A 50 0.321 12.468 -8.615 1.00 0.00 N ATOM 770 CA ALA A 50 -0.031 13.789 -9.115 1.00 0.00 C ATOM 771 C ALA A 50 -1.455 14.161 -8.708 1.00 0.00 C ATOM 772 O ALA A 50 -1.731 15.312 -8.366 1.00 0.00 O ATOM 773 CB ALA A 50 0.123 13.837 -10.628 1.00 0.00 C ATOM 0 H ALA A 50 0.241 11.720 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 50 0.648 14.518 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.143 14.830 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.157 13.619 -10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.534 13.097 -11.084 1.00 0.00 H new ATOM 779 N GLU A 51 -2.346 13.171 -8.733 1.00 0.00 N ATOM 780 CA GLU A 51 -3.755 13.367 -8.390 1.00 0.00 C ATOM 781 C GLU A 51 -3.928 13.874 -6.963 1.00 0.00 C ATOM 782 O GLU A 51 -4.720 14.782 -6.706 1.00 0.00 O ATOM 783 CB GLU A 51 -4.523 12.049 -8.535 1.00 0.00 C ATOM 784 CG GLU A 51 -4.714 11.586 -9.968 1.00 0.00 C ATOM 785 CD GLU A 51 -5.668 12.467 -10.742 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.898 12.304 -10.579 1.00 0.00 O ATOM 787 OE2 GLU A 51 -5.200 13.316 -11.522 1.00 0.00 O ATOM 0 H GLU A 51 -2.113 12.212 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.149 14.116 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.994 11.272 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.502 12.160 -8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.748 11.571 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.089 10.563 -9.968 1.00 0.00 H new ATOM 794 N LEU A 52 -3.191 13.280 -6.039 1.00 0.00 N ATOM 795 CA LEU A 52 -3.385 13.551 -4.624 1.00 0.00 C ATOM 796 C LEU A 52 -2.072 13.844 -3.917 1.00 0.00 C ATOM 797 O LEU A 52 -0.997 13.714 -4.498 1.00 0.00 O ATOM 798 CB LEU A 52 -4.087 12.360 -3.960 1.00 0.00 C ATOM 799 CG LEU A 52 -3.436 10.991 -4.196 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.185 10.809 -3.347 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.429 9.886 -3.918 1.00 0.00 C ATOM 0 H LEU A 52 -2.453 12.607 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.009 14.441 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.132 12.541 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.115 12.320 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.133 10.942 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.753 9.828 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.459 11.582 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.447 10.887 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.955 8.919 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.762 9.948 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.287 9.992 -4.582 1.00 0.00 H new ATOM 813 N GLY A 53 -2.176 14.233 -2.656 1.00 0.00 N ATOM 814 CA GLY A 53 -0.999 14.421 -1.837 1.00 0.00 C ATOM 815 C GLY A 53 -0.878 13.346 -0.775 1.00 0.00 C ATOM 816 O GLY A 53 0.031 12.524 -0.818 1.00 0.00 O ATOM 0 H GLY A 53 -3.060 14.423 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.111 14.410 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.040 15.400 -1.361 1.00 0.00 H new ATOM 820 N ARG A 54 -1.818 13.333 0.162 1.00 0.00 N ATOM 821 CA ARG A 54 -1.756 12.407 1.288 1.00 0.00 C ATOM 822 C ARG A 54 -2.964 11.464 1.304 1.00 0.00 C ATOM 823 O ARG A 54 -3.194 10.737 2.267 1.00 0.00 O ATOM 824 CB ARG A 54 -1.669 13.211 2.591 1.00 0.00 C ATOM 825 CG ARG A 54 -1.361 12.388 3.829 1.00 0.00 C ATOM 826 CD ARG A 54 -0.117 11.540 3.635 1.00 0.00 C ATOM 827 NE ARG A 54 1.067 12.335 3.307 1.00 0.00 N ATOM 828 CZ ARG A 54 2.304 11.990 3.652 1.00 0.00 C ATOM 829 NH1 ARG A 54 2.505 10.934 4.430 1.00 0.00 N ATOM 830 NH2 ARG A 54 3.340 12.702 3.224 1.00 0.00 N ATOM 0 H ARG A 54 -2.630 13.950 0.166 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.868 11.783 1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.899 13.975 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.615 13.731 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.222 13.051 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.210 11.744 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.074 10.971 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.296 10.818 2.838 1.00 0.00 H new ATOM 0 HE ARG A 54 0.936 13.201 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.711 10.387 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.454 10.669 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.188 13.516 2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.288 12.435 3.491 1.00 0.00 H new ATOM 844 N LEU A 55 -3.729 11.472 0.226 1.00 0.00 N ATOM 845 CA LEU A 55 -4.890 10.591 0.116 1.00 0.00 C ATOM 846 C LEU A 55 -4.489 9.262 -0.517 1.00 0.00 C ATOM 847 O LEU A 55 -3.358 9.102 -0.980 1.00 0.00 O ATOM 848 CB LEU A 55 -6.017 11.237 -0.707 1.00 0.00 C ATOM 849 CG LEU A 55 -6.721 12.443 -0.065 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.166 12.117 1.351 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.831 13.679 -0.083 1.00 0.00 C ATOM 0 H LEU A 55 -3.573 12.073 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.264 10.416 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.604 11.552 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.767 10.475 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.608 12.665 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.662 12.985 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.859 11.276 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.297 11.856 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.358 14.514 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.916 13.476 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.581 13.932 -1.113 1.00 0.00 H new ATOM 863 N GLY A 56 -5.418 8.317 -0.534 1.00 0.00 N ATOM 864 CA GLY A 56 -5.161 7.027 -1.138 1.00 0.00 C ATOM 865 C GLY A 56 -6.075 6.746 -2.309 1.00 0.00 C ATOM 866 O GLY A 56 -7.235 6.378 -2.128 1.00 0.00 O ATOM 0 H GLY A 56 -6.352 8.423 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.124 6.985 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.286 6.246 -0.388 1.00 0.00 H new ATOM 870 N TYR A 57 -5.545 6.926 -3.509 1.00 0.00 N ATOM 871 CA TYR A 57 -6.296 6.704 -4.739 1.00 0.00 C ATOM 872 C TYR A 57 -6.413 5.212 -4.997 1.00 0.00 C ATOM 873 O TYR A 57 -5.441 4.477 -4.834 1.00 0.00 O ATOM 874 CB TYR A 57 -5.570 7.387 -5.902 1.00 0.00 C ATOM 875 CG TYR A 57 -6.380 7.552 -7.171 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.205 8.654 -7.347 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.299 6.623 -8.201 1.00 0.00 C ATOM 878 CE1 TYR A 57 -7.930 8.826 -8.510 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.017 6.791 -9.370 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.832 7.894 -9.519 1.00 0.00 C ATOM 881 OH TYR A 57 -8.547 8.070 -10.683 1.00 0.00 O ATOM 0 H TYR A 57 -4.583 7.230 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.297 7.126 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.239 8.372 -5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.674 6.812 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.281 9.390 -6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.665 5.756 -8.086 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.571 9.687 -8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.940 6.062 -10.163 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.366 7.325 -11.294 1.00 0.00 H new ATOM 891 N SER A 58 -7.593 4.759 -5.382 1.00 0.00 N ATOM 892 CA SER A 58 -7.804 3.344 -5.633 1.00 0.00 C ATOM 893 C SER A 58 -7.109 2.931 -6.926 1.00 0.00 C ATOM 894 O SER A 58 -7.516 3.327 -8.019 1.00 0.00 O ATOM 895 CB SER A 58 -9.301 3.049 -5.694 1.00 0.00 C ATOM 896 OG SER A 58 -9.946 3.512 -4.518 1.00 0.00 O ATOM 0 H SER A 58 -8.415 5.346 -5.527 1.00 0.00 H new ATOM 0 HA SER A 58 -7.372 2.763 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.737 3.531 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.462 1.977 -5.807 1.00 0.00 H new ATOM 0 HG SER A 58 -9.332 3.438 -3.758 1.00 0.00 H new ATOM 902 N VAL A 59 -6.049 2.150 -6.788 1.00 0.00 N ATOM 903 CA VAL A 59 -5.236 1.761 -7.930 1.00 0.00 C ATOM 904 C VAL A 59 -5.592 0.357 -8.414 1.00 0.00 C ATOM 905 O VAL A 59 -5.565 0.077 -9.614 1.00 0.00 O ATOM 906 CB VAL A 59 -3.726 1.830 -7.596 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.342 3.234 -7.162 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.350 0.825 -6.516 1.00 0.00 C ATOM 0 H VAL A 59 -5.731 1.773 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.450 2.471 -8.729 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.174 1.575 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.277 3.265 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.559 3.936 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.914 3.510 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.283 0.900 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.915 1.038 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.582 -0.183 -6.860 1.00 0.00 H new ATOM 918 N TYR A 60 -5.947 -0.517 -7.483 1.00 0.00 N ATOM 919 CA TYR A 60 -6.235 -1.903 -7.817 1.00 0.00 C ATOM 920 C TYR A 60 -7.562 -2.335 -7.208 1.00 0.00 C ATOM 921 O TYR A 60 -7.644 -2.568 -6.006 1.00 0.00 O ATOM 922 CB TYR A 60 -5.098 -2.809 -7.319 1.00 0.00 C ATOM 923 CG TYR A 60 -5.292 -4.283 -7.626 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.833 -4.833 -8.816 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.928 -5.124 -6.719 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.006 -6.178 -9.095 1.00 0.00 C ATOM 927 CE2 TYR A 60 -6.103 -6.465 -6.991 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.643 -6.989 -8.180 1.00 0.00 C ATOM 929 OH TYR A 60 -5.817 -8.331 -8.453 1.00 0.00 O ATOM 0 H TYR A 60 -6.042 -0.291 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.310 -1.994 -8.901 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.162 -2.477 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.996 -2.685 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.333 -4.201 -9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.291 -4.720 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.644 -6.590 -10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.599 -7.103 -6.274 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.774 -8.541 -8.464 1.00 0.00 H new ATOM 939 N GLU A 61 -8.602 -2.406 -8.020 1.00 0.00 N ATOM 940 CA GLU A 61 -9.874 -2.930 -7.555 1.00 0.00 C ATOM 941 C GLU A 61 -10.072 -4.343 -8.074 1.00 0.00 C ATOM 942 O GLU A 61 -10.155 -4.570 -9.281 1.00 0.00 O ATOM 943 CB GLU A 61 -11.049 -2.041 -7.972 1.00 0.00 C ATOM 944 CG GLU A 61 -12.398 -2.582 -7.511 1.00 0.00 C ATOM 945 CD GLU A 61 -13.567 -1.686 -7.867 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.746 -0.640 -7.210 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.339 -2.043 -8.785 1.00 0.00 O ATOM 0 H GLU A 61 -8.592 -2.110 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.849 -2.943 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.905 -1.042 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.055 -1.942 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.556 -3.565 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.374 -2.721 -6.430 1.00 0.00 H new ATOM 954 N ASP A 62 -10.123 -5.284 -7.154 1.00 0.00 N ATOM 955 CA ASP A 62 -10.348 -6.675 -7.482 1.00 0.00 C ATOM 956 C ASP A 62 -11.706 -7.068 -6.927 1.00 0.00 C ATOM 957 O ASP A 62 -12.305 -6.303 -6.174 1.00 0.00 O ATOM 958 CB ASP A 62 -9.246 -7.544 -6.862 1.00 0.00 C ATOM 959 CG ASP A 62 -9.185 -8.946 -7.439 1.00 0.00 C ATOM 960 OD1 ASP A 62 -8.467 -9.144 -8.443 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.837 -9.855 -6.886 1.00 0.00 O ATOM 0 H ASP A 62 -10.009 -5.105 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.326 -6.823 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.283 -7.056 -7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.408 -7.609 -5.786 1.00 0.00 H new ATOM 966 N ALA A 63 -12.191 -8.242 -7.279 1.00 0.00 N ATOM 967 CA ALA A 63 -13.464 -8.706 -6.762 1.00 0.00 C ATOM 968 C ALA A 63 -13.340 -9.054 -5.281 1.00 0.00 C ATOM 969 O ALA A 63 -14.337 -9.208 -4.574 1.00 0.00 O ATOM 970 CB ALA A 63 -13.954 -9.903 -7.558 1.00 0.00 C ATOM 0 H ALA A 63 -11.727 -8.889 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.196 -7.905 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.910 -10.239 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.078 -9.619 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.226 -10.711 -7.485 1.00 0.00 H new ATOM 976 N GLN A 64 -12.101 -9.166 -4.826 1.00 0.00 N ATOM 977 CA GLN A 64 -11.816 -9.494 -3.440 1.00 0.00 C ATOM 978 C GLN A 64 -11.439 -8.247 -2.638 1.00 0.00 C ATOM 979 O GLN A 64 -12.054 -7.948 -1.612 1.00 0.00 O ATOM 980 CB GLN A 64 -10.667 -10.497 -3.377 1.00 0.00 C ATOM 981 CG GLN A 64 -10.877 -11.725 -4.240 1.00 0.00 C ATOM 982 CD GLN A 64 -9.618 -12.554 -4.354 1.00 0.00 C ATOM 983 OE1 GLN A 64 -9.389 -13.473 -3.567 1.00 0.00 O ATOM 984 NE2 GLN A 64 -8.781 -12.214 -5.320 1.00 0.00 N ATOM 0 H GLN A 64 -11.271 -9.033 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.717 -9.925 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.747 -10.001 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.528 -10.811 -2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.676 -12.334 -3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.202 -11.419 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.013 -11.445 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.903 -12.721 -5.436 1.00 0.00 H new ATOM 993 N TYR A 65 -10.422 -7.524 -3.107 1.00 0.00 N ATOM 994 CA TYR A 65 -9.859 -6.412 -2.345 1.00 0.00 C ATOM 995 C TYR A 65 -9.604 -5.202 -3.238 1.00 0.00 C ATOM 996 O TYR A 65 -9.593 -5.315 -4.461 1.00 0.00 O ATOM 997 CB TYR A 65 -8.543 -6.844 -1.684 1.00 0.00 C ATOM 998 CG TYR A 65 -8.661 -8.095 -0.842 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.132 -8.038 0.462 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.312 -9.337 -1.358 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.247 -9.182 1.228 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.428 -10.485 -0.599 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.895 -10.402 0.693 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.014 -11.542 1.454 1.00 0.00 O ATOM 0 H TYR A 65 -9.973 -7.688 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.582 -6.130 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.795 -7.009 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.178 -6.030 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.413 -7.085 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.943 -9.406 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.612 -9.120 2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.154 -11.442 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.726 -12.318 0.929 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.390 -4.049 -2.614 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.105 -2.817 -3.336 1.00 0.00 C ATOM 1016 C ILE A 66 -7.890 -2.119 -2.736 1.00 0.00 C ATOM 1017 O ILE A 66 -7.863 -1.814 -1.539 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.303 -1.846 -3.310 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.526 -2.492 -3.960 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.951 -0.543 -4.019 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.766 -1.627 -3.918 1.00 0.00 C ATOM 0 H ILE A 66 -9.409 -3.943 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.905 -3.093 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.541 -1.620 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.293 -2.727 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.736 -3.437 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.808 0.130 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.104 -0.073 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.688 -0.752 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.592 -2.152 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.025 -1.413 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.575 -0.692 -4.445 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.901 -1.862 -3.573 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.682 -1.221 -3.128 1.00 0.00 C ATOM 1035 C GLY A 67 -5.682 0.266 -3.408 1.00 0.00 C ATOM 1036 O GLY A 67 -6.206 0.711 -4.430 1.00 0.00 O ATOM 0 H GLY A 67 -6.921 -2.089 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.556 -1.387 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.829 -1.682 -3.625 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.096 1.033 -2.504 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.064 2.486 -2.623 1.00 0.00 C ATOM 1042 C HIS A 68 -3.624 2.981 -2.503 1.00 0.00 C ATOM 1043 O HIS A 68 -2.899 2.557 -1.605 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.920 3.144 -1.527 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.282 2.537 -1.339 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.396 2.920 -2.056 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.703 1.566 -0.489 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.440 2.212 -1.657 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.048 1.386 -0.705 1.00 0.00 N ATOM 0 H HIS A 68 -4.631 0.672 -1.671 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.471 2.759 -3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.380 3.089 -0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.039 4.201 -1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.093 1.033 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.444 2.296 -2.045 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.645 0.723 -0.211 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.209 3.866 -3.404 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.847 4.397 -3.375 1.00 0.00 C ATOM 1060 C ALA A 69 -1.722 5.560 -2.408 1.00 0.00 C ATOM 1061 O ALA A 69 -2.406 6.572 -2.551 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.411 4.853 -4.758 1.00 0.00 C ATOM 0 H ALA A 69 -3.790 4.230 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.200 3.587 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.395 5.244 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.442 4.008 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.083 5.635 -5.112 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.804 5.428 -1.467 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.541 6.478 -0.500 1.00 0.00 C ATOM 1070 C PHE A 70 0.886 6.975 -0.618 1.00 0.00 C ATOM 1071 O PHE A 70 1.810 6.200 -0.874 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.794 5.980 0.921 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.247 5.837 1.253 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.932 4.672 0.951 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.929 6.869 1.871 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.269 4.541 1.258 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.265 6.745 2.179 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.936 5.579 1.873 1.00 0.00 C ATOM 0 H PHE A 70 -0.224 4.597 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.221 7.303 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.303 5.016 1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.334 6.671 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.412 3.857 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.408 7.783 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.793 3.628 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.787 7.559 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.984 5.479 2.115 1.00 0.00 H new ATOM 1088 N LYS A 71 1.052 8.276 -0.471 1.00 0.00 N ATOM 1089 CA LYS A 71 2.376 8.870 -0.404 1.00 0.00 C ATOM 1090 C LYS A 71 2.921 8.730 1.013 1.00 0.00 C ATOM 1091 O LYS A 71 2.245 9.071 1.982 1.00 0.00 O ATOM 1092 CB LYS A 71 2.340 10.348 -0.819 1.00 0.00 C ATOM 1093 CG LYS A 71 2.549 10.606 -2.313 1.00 0.00 C ATOM 1094 CD LYS A 71 1.324 10.249 -3.150 1.00 0.00 C ATOM 1095 CE LYS A 71 1.307 8.781 -3.549 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.058 8.420 -4.273 1.00 0.00 N ATOM 0 H LYS A 71 0.285 8.944 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 71 3.031 8.346 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.379 10.769 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.108 10.885 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.794 11.657 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.404 10.026 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.421 10.481 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.307 10.868 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.169 8.566 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.403 8.161 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.255 7.649 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.662 8.109 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.294 9.249 -4.793 1.00 0.00 H new ATOM 1110 N LYS A 72 4.126 8.198 1.127 1.00 0.00 N ATOM 1111 CA LYS A 72 4.745 7.960 2.422 1.00 0.00 C ATOM 1112 C LYS A 72 6.051 8.736 2.522 1.00 0.00 C ATOM 1113 O LYS A 72 6.397 9.485 1.608 1.00 0.00 O ATOM 1114 CB LYS A 72 5.006 6.463 2.608 1.00 0.00 C ATOM 1115 CG LYS A 72 3.773 5.598 2.396 1.00 0.00 C ATOM 1116 CD LYS A 72 2.732 5.799 3.488 1.00 0.00 C ATOM 1117 CE LYS A 72 3.255 5.364 4.848 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.182 5.375 5.878 1.00 0.00 N ATOM 0 H LYS A 72 4.700 7.920 0.331 1.00 0.00 H new ATOM 0 HA LYS A 72 4.071 8.301 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.784 6.149 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.391 6.292 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.330 5.831 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.068 4.549 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.444 6.849 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.834 5.231 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.677 4.362 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.063 6.027 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.608 5.461 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.547 6.182 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.639 4.490 5.823 1.00 0.00 H new ATOM 1132 N ALA A 73 6.781 8.544 3.616 1.00 0.00 N ATOM 1133 CA ALA A 73 8.027 9.271 3.844 1.00 0.00 C ATOM 1134 C ALA A 73 9.086 8.877 2.823 1.00 0.00 C ATOM 1135 O ALA A 73 9.790 7.879 2.989 1.00 0.00 O ATOM 1136 CB ALA A 73 8.534 9.036 5.258 1.00 0.00 C ATOM 0 H ALA A 73 6.532 7.891 4.359 1.00 0.00 H new ATOM 0 HA ALA A 73 7.822 10.335 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.463 9.586 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.788 9.381 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.715 7.972 5.408 1.00 0.00 H new ATOM 1142 N GLY A 74 9.160 9.651 1.749 1.00 0.00 N ATOM 1143 CA GLY A 74 10.125 9.397 0.699 1.00 0.00 C ATOM 1144 C GLY A 74 9.826 8.131 -0.082 1.00 0.00 C ATOM 1145 O GLY A 74 10.647 7.680 -0.881 1.00 0.00 O ATOM 0 H GLY A 74 8.561 10.460 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.142 10.245 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.120 9.321 1.137 1.00 0.00 H new ATOM 1149 N HIS A 75 8.647 7.561 0.133 1.00 0.00 N ATOM 1150 CA HIS A 75 8.296 6.283 -0.471 1.00 0.00 C ATOM 1151 C HIS A 75 6.817 6.215 -0.824 1.00 0.00 C ATOM 1152 O HIS A 75 6.048 7.117 -0.496 1.00 0.00 O ATOM 1153 CB HIS A 75 8.671 5.132 0.464 1.00 0.00 C ATOM 1154 CG HIS A 75 10.114 4.738 0.365 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.912 4.474 1.456 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.892 4.553 -0.721 1.00 0.00 C ATOM 1157 CE1 HIS A 75 12.121 4.135 1.040 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.130 4.177 -0.278 1.00 0.00 N ATOM 0 H HIS A 75 7.918 7.964 0.721 1.00 0.00 H new ATOM 0 HA HIS A 75 8.863 6.189 -1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.449 5.420 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.048 4.268 0.234 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.592 4.679 -1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.956 3.870 1.671 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.931 3.963 -0.872 1.00 0.00 H new ATOM 1167 N PHE A 76 6.435 5.145 -1.504 1.00 0.00 N ATOM 1168 CA PHE A 76 5.061 4.958 -1.943 1.00 0.00 C ATOM 1169 C PHE A 76 4.538 3.621 -1.451 1.00 0.00 C ATOM 1170 O PHE A 76 5.172 2.598 -1.661 1.00 0.00 O ATOM 1171 CB PHE A 76 4.991 5.002 -3.470 1.00 0.00 C ATOM 1172 CG PHE A 76 5.458 6.301 -4.060 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.749 7.472 -3.847 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.606 6.350 -4.836 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.176 8.664 -4.395 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.037 7.541 -5.384 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.321 8.700 -5.165 1.00 0.00 C ATOM 0 H PHE A 76 7.064 4.386 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 76 4.447 5.759 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.596 4.191 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.963 4.820 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.852 7.452 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.169 5.446 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.614 9.570 -4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.935 7.566 -5.984 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.655 9.633 -5.595 1.00 0.00 H new ATOM 1187 N ILE A 77 3.395 3.619 -0.789 1.00 0.00 N ATOM 1188 CA ILE A 77 2.829 2.374 -0.297 1.00 0.00 C ATOM 1189 C ILE A 77 1.376 2.231 -0.729 1.00 0.00 C ATOM 1190 O ILE A 77 0.598 3.185 -0.661 1.00 0.00 O ATOM 1191 CB ILE A 77 2.938 2.261 1.242 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.407 2.303 1.674 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.271 0.983 1.744 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.612 2.127 3.165 1.00 0.00 C ATOM 0 H ILE A 77 2.846 4.453 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 77 3.411 1.563 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 77 2.417 3.110 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.953 1.521 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.839 3.256 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.361 0.927 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.217 0.990 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.758 0.118 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.677 2.168 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.095 2.924 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.211 1.162 3.476 1.00 0.00 H new ATOM 1206 N VAL A 78 1.028 1.046 -1.194 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.331 0.752 -1.606 1.00 0.00 C ATOM 1208 C VAL A 78 -1.021 -0.105 -0.554 1.00 0.00 C ATOM 1209 O VAL A 78 -0.644 -1.255 -0.333 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.363 0.021 -2.964 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.794 -0.255 -3.399 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.369 0.830 -4.022 1.00 0.00 C ATOM 0 H VAL A 78 1.675 0.264 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.857 1.700 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 78 0.146 -0.936 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.789 -0.771 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.287 -0.879 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.333 0.687 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.336 0.299 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.110 1.803 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.407 0.969 -3.720 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.014 0.466 0.106 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.751 -0.240 1.137 1.00 0.00 C ATOM 1224 C TYR A 79 -3.946 -0.963 0.531 1.00 0.00 C ATOM 1225 O TYR A 79 -4.811 -0.340 -0.089 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.224 0.735 2.215 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.108 1.348 3.037 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.254 2.299 2.492 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.912 0.978 4.362 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.240 2.860 3.240 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.898 1.539 5.116 1.00 0.00 C ATOM 1232 CZ TYR A 79 -0.067 2.479 4.549 1.00 0.00 C ATOM 1233 OH TYR A 79 0.936 3.049 5.297 1.00 0.00 O ATOM 0 H TYR A 79 -2.329 1.423 -0.056 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.088 -0.975 1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.791 1.536 1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.908 0.214 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.387 2.604 1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.562 0.241 4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.416 3.596 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.758 1.241 6.145 1.00 0.00 H new ATOM 0 HH TYR A 79 0.924 2.672 6.202 1.00 0.00 H new ATOM 1243 N PHE A 80 -3.984 -2.273 0.701 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.058 -3.088 0.168 1.00 0.00 C ATOM 1245 C PHE A 80 -6.122 -3.333 1.229 1.00 0.00 C ATOM 1246 O PHE A 80 -5.850 -3.922 2.273 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.508 -4.418 -0.343 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.707 -4.293 -1.608 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.351 -4.014 -1.563 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.314 -4.453 -2.842 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.616 -3.896 -2.726 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.584 -4.336 -4.008 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.233 -4.058 -3.951 1.00 0.00 C ATOM 0 H PHE A 80 -3.274 -2.799 1.210 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.516 -2.553 -0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.882 -4.864 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.338 -5.103 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.863 -3.887 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.370 -4.672 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.559 -3.677 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.070 -4.462 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.660 -3.967 -4.862 1.00 0.00 H new ATOM 1263 N THR A 81 -7.326 -2.870 0.953 1.00 0.00 N ATOM 1264 CA THR A 81 -8.439 -3.015 1.875 1.00 0.00 C ATOM 1265 C THR A 81 -9.462 -4.001 1.320 1.00 0.00 C ATOM 1266 O THR A 81 -9.506 -4.224 0.110 1.00 0.00 O ATOM 1267 CB THR A 81 -9.120 -1.654 2.115 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.554 -1.095 0.864 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.171 -0.686 2.798 1.00 0.00 C ATOM 0 H THR A 81 -7.561 -2.384 0.087 1.00 0.00 H new ATOM 0 HA THR A 81 -8.050 -3.393 2.821 1.00 0.00 H new ATOM 0 HB THR A 81 -9.981 -1.815 2.763 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.432 -0.676 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.675 0.267 2.956 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.862 -1.097 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.294 -0.532 2.170 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.290 -4.611 2.180 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.354 -5.524 1.740 1.00 0.00 C ATOM 1279 C PRO A 82 -12.514 -4.779 1.071 1.00 0.00 C ATOM 1280 O PRO A 82 -13.633 -4.755 1.588 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.810 -6.187 3.042 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.492 -5.192 4.106 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.251 -4.474 3.648 1.00 0.00 C ATOM 0 HA PRO A 82 -11.006 -6.233 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.876 -6.414 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.287 -7.128 3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.317 -4.494 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.326 -5.685 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.258 -3.428 3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.351 -4.922 4.068 1.00 0.00 H new