USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -6.93! C(o=-6.1!,f=-13!) USER MOD Set 1.2: A 76 TYR OH : rot -109:sc= 0.799 USER MOD Single : A 9 SER OG : rot 170:sc= -0.731 USER MOD Single : A 19 THR OG1 : rot -51:sc= 0.316 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -11:sc= -0.332 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 99:sc= 0.0965 USER MOD Single : A 89 SER OG : rot -44:sc= -1.49! USER MOD Single : A 92 SER OG : rot -172:sc= -2.24 USER MOD Single : A 93 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -4.92! C(o=-4.9!,f=-6.7!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.596 16.832 -5.121 1.00 0.00 N ATOM 67 CA LEU A 8 3.993 15.937 -4.148 1.00 0.00 C ATOM 68 C LEU A 8 5.010 14.867 -3.746 1.00 0.00 C ATOM 69 O LEU A 8 5.483 14.107 -4.590 1.00 0.00 O ATOM 70 CB LEU A 8 2.680 15.365 -4.687 1.00 0.00 C ATOM 71 CG LEU A 8 2.008 14.297 -3.822 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.643 14.857 -2.445 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.796 13.696 -4.536 1.00 0.00 C ATOM 0 HA LEU A 8 3.728 16.483 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.978 16.187 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.870 14.940 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 8 2.721 13.488 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.167 14.078 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.547 15.198 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.955 15.694 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.337 12.940 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.071 14.482 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.115 13.237 -5.472 1.00 0.00 H new ATOM 85 N SER A 9 5.317 14.843 -2.458 1.00 0.00 N ATOM 86 CA SER A 9 6.270 13.879 -1.934 1.00 0.00 C ATOM 87 C SER A 9 5.588 12.524 -1.733 1.00 0.00 C ATOM 88 O SER A 9 4.394 12.464 -1.442 1.00 0.00 O ATOM 89 CB SER A 9 6.879 14.366 -0.617 1.00 0.00 C ATOM 90 OG SER A 9 6.079 14.008 0.506 1.00 0.00 O ATOM 0 H SER A 9 4.923 15.475 -1.761 1.00 0.00 H new ATOM 0 HA SER A 9 7.077 13.769 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.877 13.943 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.994 15.449 -0.650 1.00 0.00 H new ATOM 0 HG SER A 9 6.574 14.191 1.332 1.00 0.00 H new ATOM 96 N PRO A 10 6.395 11.443 -1.903 1.00 0.00 N ATOM 97 CA PRO A 10 5.882 10.093 -1.744 1.00 0.00 C ATOM 98 C PRO A 10 5.680 9.754 -0.266 1.00 0.00 C ATOM 99 O PRO A 10 6.119 10.496 0.611 1.00 0.00 O ATOM 100 CB PRO A 10 6.907 9.200 -2.423 1.00 0.00 C ATOM 101 CG PRO A 10 8.177 10.028 -2.528 1.00 0.00 C ATOM 102 CD PRO A 10 7.813 11.477 -2.248 1.00 0.00 C ATOM 0 HA PRO A 10 4.898 9.961 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.079 8.293 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.561 8.888 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.922 9.677 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.616 9.930 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.409 11.884 -1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.994 12.106 -3.120 1.00 0.00 H new ATOM 110 N PRO A 11 4.996 8.603 -0.029 1.00 0.00 N ATOM 111 CA PRO A 11 4.730 8.156 1.328 1.00 0.00 C ATOM 112 C PRO A 11 5.992 7.580 1.974 1.00 0.00 C ATOM 113 O PRO A 11 7.034 7.479 1.327 1.00 0.00 O ATOM 114 CB PRO A 11 3.613 7.134 1.194 1.00 0.00 C ATOM 115 CG PRO A 11 3.613 6.705 -0.264 1.00 0.00 C ATOM 116 CD PRO A 11 4.461 7.698 -1.042 1.00 0.00 C ATOM 0 HA PRO A 11 4.430 8.971 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.783 6.282 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.652 7.566 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.016 5.697 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.596 6.683 -0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.261 7.195 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.865 8.236 -1.779 1.00 0.00 H new ATOM 124 N ARG A 12 5.858 7.218 3.241 1.00 0.00 N ATOM 125 CA ARG A 12 6.975 6.655 3.981 1.00 0.00 C ATOM 126 C ARG A 12 6.466 5.719 5.079 1.00 0.00 C ATOM 127 O ARG A 12 5.260 5.537 5.235 1.00 0.00 O ATOM 128 CB ARG A 12 7.828 7.757 4.613 1.00 0.00 C ATOM 129 CG ARG A 12 7.480 9.126 4.025 1.00 0.00 C ATOM 130 CD ARG A 12 8.168 10.248 4.804 1.00 0.00 C ATOM 131 NE ARG A 12 7.615 10.327 6.174 1.00 0.00 N ATOM 132 CZ ARG A 12 8.102 9.647 7.221 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.155 8.834 7.061 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.536 9.780 8.429 1.00 0.00 N ATOM 0 H ARG A 12 4.993 7.303 3.774 1.00 0.00 H new ATOM 0 HA ARG A 12 7.590 6.094 3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.671 7.770 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.884 7.544 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.785 9.165 2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.400 9.272 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.242 10.067 4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.026 11.199 4.290 1.00 0.00 H new ATOM 0 HE ARG A 12 6.813 10.937 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.586 8.733 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.526 8.317 7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.734 10.399 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.907 9.262 9.226 1.00 0.00 H new ATOM 148 N GLY A 13 7.412 5.151 5.812 1.00 0.00 N ATOM 149 CA GLY A 13 7.075 4.238 6.892 1.00 0.00 C ATOM 150 C GLY A 13 5.971 3.269 6.465 1.00 0.00 C ATOM 151 O GLY A 13 4.977 3.105 7.171 1.00 0.00 O ATOM 0 H GLY A 13 8.412 5.305 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.961 3.677 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.749 4.805 7.764 1.00 0.00 H new ATOM 155 N LEU A 14 6.182 2.651 5.312 1.00 0.00 N ATOM 156 CA LEU A 14 5.218 1.702 4.783 1.00 0.00 C ATOM 157 C LEU A 14 5.619 0.286 5.202 1.00 0.00 C ATOM 158 O LEU A 14 6.755 -0.131 4.982 1.00 0.00 O ATOM 159 CB LEU A 14 5.068 1.877 3.271 1.00 0.00 C ATOM 160 CG LEU A 14 4.126 0.895 2.572 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.705 1.009 3.126 1.00 0.00 C ATOM 162 CD2 LEU A 14 4.166 1.082 1.054 1.00 0.00 C ATOM 0 H LEU A 14 7.007 2.789 4.729 1.00 0.00 H new ATOM 0 HA LEU A 14 4.229 1.890 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.715 2.890 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.054 1.790 2.816 1.00 0.00 H new ATOM 0 HG LEU A 14 4.473 -0.117 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.056 0.300 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.712 0.787 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.333 2.021 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.487 0.372 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.859 2.098 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.180 0.910 0.693 1.00 0.00 H new ATOM 174 N VAL A 15 4.664 -0.413 5.798 1.00 0.00 N ATOM 175 CA VAL A 15 4.904 -1.773 6.250 1.00 0.00 C ATOM 176 C VAL A 15 3.631 -2.600 6.060 1.00 0.00 C ATOM 177 O VAL A 15 2.559 -2.049 5.817 1.00 0.00 O ATOM 178 CB VAL A 15 5.401 -1.764 7.696 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.884 -1.393 7.764 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.561 -0.821 8.560 1.00 0.00 C ATOM 0 H VAL A 15 3.723 -0.063 5.978 1.00 0.00 H new ATOM 0 HA VAL A 15 5.688 -2.241 5.655 1.00 0.00 H new ATOM 0 HB VAL A 15 5.288 -2.772 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.212 -1.394 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.467 -2.120 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.031 -0.400 7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.936 -0.834 9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.626 0.192 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.521 -1.148 8.551 1.00 0.00 H new ATOM 190 N ALA A 16 3.792 -3.910 6.179 1.00 0.00 N ATOM 191 CA ALA A 16 2.669 -4.819 6.024 1.00 0.00 C ATOM 192 C ALA A 16 2.694 -5.852 7.153 1.00 0.00 C ATOM 193 O ALA A 16 3.592 -6.691 7.211 1.00 0.00 O ATOM 194 CB ALA A 16 2.723 -5.467 4.639 1.00 0.00 C ATOM 0 H ALA A 16 4.683 -4.363 6.381 1.00 0.00 H new ATOM 0 HA ALA A 16 1.725 -4.278 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.880 -6.149 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.672 -4.693 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.656 -6.021 4.533 1.00 0.00 H new ATOM 200 N VAL A 17 1.699 -5.757 8.022 1.00 0.00 N ATOM 201 CA VAL A 17 1.596 -6.672 9.145 1.00 0.00 C ATOM 202 C VAL A 17 0.441 -7.645 8.901 1.00 0.00 C ATOM 203 O VAL A 17 -0.715 -7.232 8.812 1.00 0.00 O ATOM 204 CB VAL A 17 1.451 -5.886 10.450 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.463 -4.729 10.285 1.00 0.00 C ATOM 206 CG2 VAL A 17 1.033 -6.804 11.600 1.00 0.00 C ATOM 0 H VAL A 17 0.956 -5.060 7.971 1.00 0.00 H new ATOM 0 HA VAL A 17 2.506 -7.265 9.238 1.00 0.00 H new ATOM 0 HB VAL A 17 2.425 -5.463 10.697 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.378 -4.186 11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.820 -4.053 9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.514 -5.122 10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.937 -6.220 12.515 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.076 -7.269 11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.788 -7.578 11.741 1.00 0.00 H new ATOM 216 N ARG A 18 0.792 -8.918 8.801 1.00 0.00 N ATOM 217 CA ARG A 18 -0.202 -9.953 8.568 1.00 0.00 C ATOM 218 C ARG A 18 -1.062 -10.152 9.818 1.00 0.00 C ATOM 219 O ARG A 18 -0.543 -10.203 10.932 1.00 0.00 O ATOM 220 CB ARG A 18 0.462 -11.281 8.198 1.00 0.00 C ATOM 221 CG ARG A 18 -0.453 -12.119 7.303 1.00 0.00 C ATOM 222 CD ARG A 18 -0.945 -13.368 8.039 1.00 0.00 C ATOM 223 NE ARG A 18 0.187 -14.030 8.724 1.00 0.00 N ATOM 224 CZ ARG A 18 0.058 -14.810 9.806 1.00 0.00 C ATOM 225 NH1 ARG A 18 -1.155 -15.029 10.333 1.00 0.00 N ATOM 226 NH2 ARG A 18 1.141 -15.370 10.362 1.00 0.00 N ATOM 0 H ARG A 18 1.751 -9.257 8.877 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.830 -9.630 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.404 -11.090 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.700 -11.838 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.306 -11.519 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.084 -12.412 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.711 -13.094 8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.407 -14.058 7.333 1.00 0.00 H new ATOM 0 HE ARG A 18 1.124 -13.884 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.979 -14.602 9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.254 -15.623 11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.064 -15.203 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.042 -15.964 11.186 1.00 0.00 H new ATOM 240 N THR A 19 -2.363 -10.260 9.590 1.00 0.00 N ATOM 241 CA THR A 19 -3.300 -10.452 10.684 1.00 0.00 C ATOM 242 C THR A 19 -4.301 -11.557 10.340 1.00 0.00 C ATOM 243 O THR A 19 -4.255 -12.124 9.249 1.00 0.00 O ATOM 244 CB THR A 19 -3.961 -9.105 10.983 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.168 -9.135 10.226 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.182 -7.927 10.395 1.00 0.00 C ATOM 0 H THR A 19 -2.790 -10.218 8.665 1.00 0.00 H new ATOM 0 HA THR A 19 -2.790 -10.787 11.587 1.00 0.00 H new ATOM 0 HB THR A 19 -4.053 -8.977 12.062 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.966 -9.375 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.694 -6.995 10.636 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.177 -7.908 10.817 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.119 -8.037 9.312 1.00 0.00 H new ATOM 254 N PRO A 20 -5.206 -11.837 11.316 1.00 0.00 N ATOM 255 CA PRO A 20 -6.217 -12.864 11.127 1.00 0.00 C ATOM 256 C PRO A 20 -7.325 -12.377 10.192 1.00 0.00 C ATOM 257 O PRO A 20 -7.812 -13.134 9.354 1.00 0.00 O ATOM 258 CB PRO A 20 -6.718 -13.184 12.526 1.00 0.00 C ATOM 259 CG PRO A 20 -6.309 -12.006 13.395 1.00 0.00 C ATOM 260 CD PRO A 20 -5.291 -11.186 12.620 1.00 0.00 C ATOM 0 HA PRO A 20 -5.823 -13.759 10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.800 -13.317 12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.281 -14.112 12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.178 -11.397 13.646 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.882 -12.355 14.335 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.609 -10.148 12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.324 -11.178 13.122 1.00 0.00 H new ATOM 268 N ARG A 21 -7.691 -11.116 10.366 1.00 0.00 N ATOM 269 CA ARG A 21 -8.733 -10.519 9.548 1.00 0.00 C ATOM 270 C ARG A 21 -8.184 -10.165 8.165 1.00 0.00 C ATOM 271 O ARG A 21 -8.942 -9.804 7.266 1.00 0.00 O ATOM 272 CB ARG A 21 -9.294 -9.256 10.205 1.00 0.00 C ATOM 273 CG ARG A 21 -9.725 -9.533 11.647 1.00 0.00 C ATOM 274 CD ARG A 21 -11.048 -8.834 11.967 1.00 0.00 C ATOM 275 NE ARG A 21 -12.145 -9.825 12.018 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.456 -10.547 13.104 1.00 0.00 C ATOM 277 NH1 ARG A 21 -11.754 -10.391 14.235 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.468 -11.423 13.059 1.00 0.00 N ATOM 0 H ARG A 21 -7.284 -10.491 11.062 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.536 -11.250 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.540 -8.469 10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.146 -8.891 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.831 -10.607 11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.952 -9.189 12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.972 -8.314 12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.263 -8.080 11.210 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.700 -9.968 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.984 -9.723 14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.990 -10.940 15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.002 -11.541 12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.704 -11.972 13.885 1.00 0.00 H new ATOM 292 N GLY A 22 -6.870 -10.280 8.037 1.00 0.00 N ATOM 293 CA GLY A 22 -6.211 -9.977 6.778 1.00 0.00 C ATOM 294 C GLY A 22 -4.827 -9.369 7.017 1.00 0.00 C ATOM 295 O GLY A 22 -4.137 -9.741 7.964 1.00 0.00 O ATOM 0 H GLY A 22 -6.244 -10.579 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.115 -10.887 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.822 -9.283 6.201 1.00 0.00 H new ATOM 299 N VAL A 23 -4.464 -8.444 6.140 1.00 0.00 N ATOM 300 CA VAL A 23 -3.175 -7.781 6.244 1.00 0.00 C ATOM 301 C VAL A 23 -3.393 -6.284 6.471 1.00 0.00 C ATOM 302 O VAL A 23 -4.283 -5.685 5.870 1.00 0.00 O ATOM 303 CB VAL A 23 -2.331 -8.081 5.003 1.00 0.00 C ATOM 304 CG1 VAL A 23 -1.114 -7.157 4.932 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.908 -9.551 4.969 1.00 0.00 C ATOM 0 H VAL A 23 -5.039 -8.138 5.355 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.618 -8.162 7.100 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.947 -7.891 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.531 -7.391 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.447 -6.120 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.496 -7.301 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.310 -9.737 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.318 -9.780 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.795 -10.184 4.949 1.00 0.00 H new ATOM 315 N LEU A 24 -2.566 -5.724 7.341 1.00 0.00 N ATOM 316 CA LEU A 24 -2.657 -4.308 7.656 1.00 0.00 C ATOM 317 C LEU A 24 -1.377 -3.605 7.199 1.00 0.00 C ATOM 318 O LEU A 24 -0.275 -4.027 7.546 1.00 0.00 O ATOM 319 CB LEU A 24 -2.973 -4.108 9.139 1.00 0.00 C ATOM 320 CG LEU A 24 -3.980 -3.004 9.468 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.010 -2.719 10.970 1.00 0.00 C ATOM 322 CD2 LEU A 24 -3.696 -1.742 8.650 1.00 0.00 C ATOM 0 H LEU A 24 -1.829 -6.225 7.838 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.484 -3.849 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.352 -5.049 9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.042 -3.891 9.662 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.974 -3.353 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.734 -1.931 11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.296 -3.624 11.506 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.021 -2.399 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.426 -0.973 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.693 -1.379 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.766 -1.974 7.587 1.00 0.00 H new ATOM 334 N LEU A 25 -1.565 -2.544 6.428 1.00 0.00 N ATOM 335 CA LEU A 25 -0.439 -1.779 5.920 1.00 0.00 C ATOM 336 C LEU A 25 -0.383 -0.427 6.636 1.00 0.00 C ATOM 337 O LEU A 25 -1.374 0.300 6.675 1.00 0.00 O ATOM 338 CB LEU A 25 -0.512 -1.665 4.396 1.00 0.00 C ATOM 339 CG LEU A 25 -0.689 -2.979 3.633 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.388 -2.745 2.293 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.649 -3.700 3.464 1.00 0.00 C ATOM 0 H LEU A 25 -2.480 -2.196 6.143 1.00 0.00 H new ATOM 0 HA LEU A 25 0.498 -2.293 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.341 -1.005 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.400 -1.183 4.043 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.333 -3.632 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.501 -3.695 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.371 -2.307 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.791 -2.066 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.494 -4.631 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.338 -3.064 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.070 -3.920 4.445 1.00 0.00 H new ATOM 353 N HIS A 26 0.786 -0.133 7.184 1.00 0.00 N ATOM 354 CA HIS A 26 0.985 1.118 7.896 1.00 0.00 C ATOM 355 C HIS A 26 1.982 1.991 7.132 1.00 0.00 C ATOM 356 O HIS A 26 3.160 1.651 7.031 1.00 0.00 O ATOM 357 CB HIS A 26 1.411 0.859 9.343 1.00 0.00 C ATOM 358 CG HIS A 26 0.761 -0.353 9.966 1.00 0.00 C ATOM 359 ND1 HIS A 26 -0.401 -0.998 9.660 1.00 0.00 N flip ATOM 360 CD2 HIS A 26 1.315 -1.034 11.037 1.00 0.00 C flip ATOM 361 CE1 HIS A 26 -0.549 -2.018 10.496 1.00 0.00 C flip ATOM 362 NE2 HIS A 26 0.514 -2.041 11.351 1.00 0.00 N flip ATOM 0 H HIS A 26 1.605 -0.739 7.150 1.00 0.00 H new ATOM 0 HA HIS A 26 0.043 1.664 7.948 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.493 0.735 9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.172 1.736 9.944 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.242 -0.786 11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.374 -2.715 10.499 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.665 -2.716 12.101 1.00 0.00 H new ATOM 370 N TRP A 27 1.474 3.100 6.614 1.00 0.00 N ATOM 371 CA TRP A 27 2.306 4.024 5.862 1.00 0.00 C ATOM 372 C TRP A 27 2.269 5.378 6.573 1.00 0.00 C ATOM 373 O TRP A 27 1.571 5.540 7.572 1.00 0.00 O ATOM 374 CB TRP A 27 1.856 4.103 4.402 1.00 0.00 C ATOM 375 CG TRP A 27 0.455 4.690 4.213 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.099 5.981 4.184 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.770 3.949 4.027 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.260 6.127 3.994 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.805 4.852 3.895 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.995 2.563 3.973 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.137 4.468 3.701 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.332 2.195 3.778 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.385 3.091 3.643 1.00 0.00 C ATOM 0 H TRP A 27 0.497 3.379 6.700 1.00 0.00 H new ATOM 0 HA TRP A 27 3.338 3.675 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.571 4.709 3.845 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.881 3.102 3.970 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.789 6.804 4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.771 7.008 3.937 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.200 1.839 4.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.930 5.194 3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.561 1.141 3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.391 2.727 3.494 1.00 0.00 H new ATOM 394 N ASP A 28 3.031 6.317 6.029 1.00 0.00 N ATOM 395 CA ASP A 28 3.094 7.652 6.599 1.00 0.00 C ATOM 396 C ASP A 28 2.710 8.677 5.530 1.00 0.00 C ATOM 397 O ASP A 28 2.981 8.476 4.347 1.00 0.00 O ATOM 398 CB ASP A 28 4.509 7.978 7.080 1.00 0.00 C ATOM 399 CG ASP A 28 4.697 7.957 8.598 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.120 8.853 9.254 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.412 7.047 9.070 1.00 0.00 O ATOM 0 H ASP A 28 3.609 6.179 5.200 1.00 0.00 H new ATOM 0 HA ASP A 28 2.407 7.691 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.202 7.265 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.784 8.965 6.709 1.00 0.00 H new ATOM 406 N PRO A 29 2.069 9.781 5.996 1.00 0.00 N ATOM 407 CA PRO A 29 1.645 10.838 5.094 1.00 0.00 C ATOM 408 C PRO A 29 2.838 11.681 4.638 1.00 0.00 C ATOM 409 O PRO A 29 3.807 11.843 5.378 1.00 0.00 O ATOM 410 CB PRO A 29 0.618 11.638 5.878 1.00 0.00 C ATOM 411 CG PRO A 29 0.844 11.286 7.340 1.00 0.00 C ATOM 412 CD PRO A 29 1.731 10.052 7.390 1.00 0.00 C ATOM 0 HA PRO A 29 1.210 10.453 4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.744 12.707 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.395 11.384 5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.316 12.117 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.106 11.094 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.625 10.231 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.210 9.208 7.842 1.00 0.00 H new ATOM 420 N PRO A 30 2.725 12.208 3.389 1.00 0.00 N ATOM 421 CA PRO A 30 3.782 13.031 2.826 1.00 0.00 C ATOM 422 C PRO A 30 3.785 14.426 3.453 1.00 0.00 C ATOM 423 O PRO A 30 2.753 15.095 3.491 1.00 0.00 O ATOM 424 CB PRO A 30 3.510 13.052 1.331 1.00 0.00 C ATOM 425 CG PRO A 30 2.058 12.632 1.166 1.00 0.00 C ATOM 426 CD PRO A 30 1.592 12.037 2.484 1.00 0.00 C ATOM 0 HA PRO A 30 4.777 12.636 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.678 14.046 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.176 12.370 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.441 13.489 0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.961 11.902 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.706 12.549 2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.329 10.985 2.373 1.00 0.00 H new ATOM 434 N GLU A 31 4.955 14.824 3.929 1.00 0.00 N ATOM 435 CA GLU A 31 5.106 16.128 4.552 1.00 0.00 C ATOM 436 C GLU A 31 5.034 17.233 3.496 1.00 0.00 C ATOM 437 O GLU A 31 4.485 18.304 3.750 1.00 0.00 O ATOM 438 CB GLU A 31 6.413 16.210 5.343 1.00 0.00 C ATOM 439 CG GLU A 31 6.649 17.628 5.866 1.00 0.00 C ATOM 440 CD GLU A 31 6.806 17.633 7.388 1.00 0.00 C ATOM 441 OE1 GLU A 31 7.660 16.859 7.873 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.069 18.411 8.032 1.00 0.00 O ATOM 0 H GLU A 31 5.808 14.266 3.896 1.00 0.00 H new ATOM 0 HA GLU A 31 4.285 16.270 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.381 15.511 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.246 15.909 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.543 18.046 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.814 18.268 5.581 1.00 0.00 H new ATOM 449 N LEU A 32 5.596 16.934 2.334 1.00 0.00 N ATOM 450 CA LEU A 32 5.603 17.889 1.239 1.00 0.00 C ATOM 451 C LEU A 32 4.392 17.633 0.339 1.00 0.00 C ATOM 452 O LEU A 32 4.323 16.609 -0.338 1.00 0.00 O ATOM 453 CB LEU A 32 6.940 17.845 0.498 1.00 0.00 C ATOM 454 CG LEU A 32 7.966 18.907 0.901 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.088 19.006 -0.134 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.289 20.257 1.145 1.00 0.00 C ATOM 0 H LEU A 32 6.050 16.044 2.127 1.00 0.00 H new ATOM 0 HA LEU A 32 5.510 18.906 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.385 16.862 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.744 17.944 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 32 8.423 18.601 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.803 19.768 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.594 18.044 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.667 19.277 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.040 20.994 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.788 20.583 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.556 20.157 1.946 1.00 0.00 H new ATOM 468 N VAL A 33 3.468 18.583 0.360 1.00 0.00 N ATOM 469 CA VAL A 33 2.264 18.474 -0.447 1.00 0.00 C ATOM 470 C VAL A 33 2.076 19.761 -1.251 1.00 0.00 C ATOM 471 O VAL A 33 2.352 20.853 -0.756 1.00 0.00 O ATOM 472 CB VAL A 33 1.065 18.145 0.445 1.00 0.00 C ATOM 473 CG1 VAL A 33 -0.037 17.448 -0.353 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.491 17.299 1.647 1.00 0.00 C ATOM 0 H VAL A 33 3.529 19.431 0.923 1.00 0.00 H new ATOM 0 HA VAL A 33 2.355 17.656 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 33 0.661 19.084 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.877 17.225 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.371 18.101 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.350 16.520 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.620 17.079 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.932 16.366 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.225 17.848 2.237 1.00 0.00 H new ATOM 484 N PRO A 34 1.595 19.586 -2.511 1.00 0.00 N ATOM 485 CA PRO A 34 1.366 20.721 -3.389 1.00 0.00 C ATOM 486 C PRO A 34 0.108 21.488 -2.978 1.00 0.00 C ATOM 487 O PRO A 34 -0.104 22.620 -3.411 1.00 0.00 O ATOM 488 CB PRO A 34 1.269 20.126 -4.784 1.00 0.00 C ATOM 489 CG PRO A 34 0.983 18.646 -4.587 1.00 0.00 C ATOM 490 CD PRO A 34 1.257 18.309 -3.131 1.00 0.00 C ATOM 0 HA PRO A 34 2.167 21.459 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.475 20.604 -5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.196 20.274 -5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.052 18.420 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.612 18.045 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.384 17.858 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.075 17.595 -3.037 1.00 0.00 H new ATOM 498 N LYS A 35 -0.695 20.842 -2.145 1.00 0.00 N ATOM 499 CA LYS A 35 -1.927 21.449 -1.670 1.00 0.00 C ATOM 500 C LYS A 35 -2.710 20.424 -0.847 1.00 0.00 C ATOM 501 O LYS A 35 -2.557 20.354 0.371 1.00 0.00 O ATOM 502 CB LYS A 35 -2.721 22.035 -2.839 1.00 0.00 C ATOM 503 CG LYS A 35 -2.762 23.562 -2.763 1.00 0.00 C ATOM 504 CD LYS A 35 -3.683 24.141 -3.839 1.00 0.00 C ATOM 505 CE LYS A 35 -2.902 24.456 -5.117 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.823 24.883 -6.194 1.00 0.00 N ATOM 0 H LYS A 35 -0.516 19.904 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.709 22.289 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.269 21.726 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.737 21.639 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.110 23.871 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.756 23.963 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.480 23.431 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.159 25.048 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.173 25.242 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.343 23.576 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.278 25.093 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.502 24.121 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.337 25.736 -5.893 1.00 0.00 H new ATOM 520 N ARG A 36 -3.533 19.656 -1.546 1.00 0.00 N ATOM 521 CA ARG A 36 -4.341 18.639 -0.894 1.00 0.00 C ATOM 522 C ARG A 36 -4.090 17.272 -1.533 1.00 0.00 C ATOM 523 O ARG A 36 -3.773 17.185 -2.719 1.00 0.00 O ATOM 524 CB ARG A 36 -5.831 18.973 -0.992 1.00 0.00 C ATOM 525 CG ARG A 36 -6.298 18.977 -2.449 1.00 0.00 C ATOM 526 CD ARG A 36 -7.617 19.738 -2.600 1.00 0.00 C ATOM 527 NE ARG A 36 -7.364 21.081 -3.167 1.00 0.00 N ATOM 528 CZ ARG A 36 -7.223 21.330 -4.476 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.309 20.328 -5.361 1.00 0.00 N ATOM 530 NH2 ARG A 36 -6.996 22.581 -4.900 1.00 0.00 N ATOM 0 H ARG A 36 -3.658 19.717 -2.556 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.054 18.611 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.409 18.244 -0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.019 19.949 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.535 19.436 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.424 17.952 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.295 19.182 -3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.107 19.830 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.292 21.867 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.482 19.376 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.202 20.517 -6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.931 23.344 -4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.889 22.770 -5.897 1.00 0.00 H new ATOM 544 N LEU A 37 -4.240 16.237 -0.719 1.00 0.00 N ATOM 545 CA LEU A 37 -4.033 14.878 -1.190 1.00 0.00 C ATOM 546 C LEU A 37 -5.347 14.333 -1.753 1.00 0.00 C ATOM 547 O LEU A 37 -6.398 14.467 -1.128 1.00 0.00 O ATOM 548 CB LEU A 37 -3.433 14.012 -0.081 1.00 0.00 C ATOM 549 CG LEU A 37 -2.271 13.106 -0.492 1.00 0.00 C ATOM 550 CD1 LEU A 37 -1.016 13.420 0.325 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.665 11.631 -0.394 1.00 0.00 C ATOM 0 H LEU A 37 -4.502 16.312 0.264 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.306 14.863 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.091 14.668 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.225 13.388 0.334 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.034 13.307 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.205 12.762 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.725 14.458 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.223 13.264 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.821 11.008 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.944 11.397 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.510 11.436 -1.054 1.00 0.00 H new ATOM 563 N ASP A 38 -5.244 13.728 -2.928 1.00 0.00 N ATOM 564 CA ASP A 38 -6.411 13.161 -3.582 1.00 0.00 C ATOM 565 C ASP A 38 -6.567 11.698 -3.161 1.00 0.00 C ATOM 566 O ASP A 38 -7.682 11.182 -3.100 1.00 0.00 O ATOM 567 CB ASP A 38 -6.263 13.202 -5.104 1.00 0.00 C ATOM 568 CG ASP A 38 -7.279 14.087 -5.829 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.226 15.315 -5.601 1.00 0.00 O ATOM 570 OD2 ASP A 38 -8.085 13.517 -6.596 1.00 0.00 O ATOM 0 H ASP A 38 -4.371 13.618 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.281 13.748 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.260 13.552 -5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.348 12.186 -5.490 1.00 0.00 H new ATOM 575 N GLY A 39 -5.433 11.073 -2.881 1.00 0.00 N ATOM 576 CA GLY A 39 -5.429 9.680 -2.468 1.00 0.00 C ATOM 577 C GLY A 39 -4.164 8.968 -2.950 1.00 0.00 C ATOM 578 O GLY A 39 -3.447 9.482 -3.807 1.00 0.00 O ATOM 0 H GLY A 39 -4.511 11.506 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.493 9.619 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.309 9.176 -2.868 1.00 0.00 H new ATOM 582 N TYR A 40 -3.928 7.796 -2.378 1.00 0.00 N ATOM 583 CA TYR A 40 -2.761 7.009 -2.739 1.00 0.00 C ATOM 584 C TYR A 40 -3.158 5.796 -3.583 1.00 0.00 C ATOM 585 O TYR A 40 -4.341 5.571 -3.835 1.00 0.00 O ATOM 586 CB TYR A 40 -2.157 6.522 -1.420 1.00 0.00 C ATOM 587 CG TYR A 40 -1.860 7.642 -0.421 1.00 0.00 C ATOM 588 CD1 TYR A 40 -2.888 8.212 0.302 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.564 8.083 -0.242 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.609 9.266 1.242 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.285 9.137 0.698 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.322 9.677 1.394 1.00 0.00 C ATOM 593 OH TYR A 40 -1.058 10.672 2.282 1.00 0.00 O ATOM 0 H TYR A 40 -4.525 7.373 -1.667 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.061 7.606 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.842 5.810 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.233 5.984 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.902 7.867 0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.241 7.637 -0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.405 9.720 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.724 9.491 0.847 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.899 11.086 2.569 1.00 0.00 H new ATOM 603 N VAL A 41 -2.147 5.046 -3.996 1.00 0.00 N ATOM 604 CA VAL A 41 -2.375 3.862 -4.806 1.00 0.00 C ATOM 605 C VAL A 41 -1.597 2.686 -4.213 1.00 0.00 C ATOM 606 O VAL A 41 -0.374 2.624 -4.330 1.00 0.00 O ATOM 607 CB VAL A 41 -2.010 4.146 -6.264 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.065 2.868 -7.103 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.915 5.229 -6.855 1.00 0.00 C ATOM 0 H VAL A 41 -1.167 5.236 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.431 3.591 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.985 4.517 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.801 3.099 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.360 2.139 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.073 2.454 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.634 5.412 -7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.953 4.899 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.803 6.149 -6.282 1.00 0.00 H new ATOM 619 N LEU A 42 -2.337 1.781 -3.589 1.00 0.00 N ATOM 620 CA LEU A 42 -1.732 0.611 -2.977 1.00 0.00 C ATOM 621 C LEU A 42 -1.630 -0.507 -4.017 1.00 0.00 C ATOM 622 O LEU A 42 -2.646 -1.016 -4.488 1.00 0.00 O ATOM 623 CB LEU A 42 -2.497 0.209 -1.715 1.00 0.00 C ATOM 624 CG LEU A 42 -1.866 -0.902 -0.873 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.602 -2.228 -1.073 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.370 -1.027 -1.164 1.00 0.00 C ATOM 0 H LEU A 42 -3.351 1.835 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.717 0.835 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.612 1.093 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.498 -0.108 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.968 -0.633 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.133 -3.000 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.644 -2.114 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.554 -2.516 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.054 -1.824 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.223 -1.261 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.126 -0.086 -0.929 1.00 0.00 H new ATOM 638 N GLU A 43 -0.394 -0.856 -4.344 1.00 0.00 N ATOM 639 CA GLU A 43 -0.147 -1.905 -5.320 1.00 0.00 C ATOM 640 C GLU A 43 0.636 -3.052 -4.678 1.00 0.00 C ATOM 641 O GLU A 43 1.676 -2.829 -4.059 1.00 0.00 O ATOM 642 CB GLU A 43 0.590 -1.353 -6.542 1.00 0.00 C ATOM 643 CG GLU A 43 -0.396 -0.931 -7.633 1.00 0.00 C ATOM 644 CD GLU A 43 0.124 0.286 -8.400 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.552 1.245 -7.722 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.083 0.230 -9.648 1.00 0.00 O ATOM 0 H GLU A 43 0.446 -0.432 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.107 -2.293 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.200 -0.499 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.269 -2.110 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.557 -1.759 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.362 -0.698 -7.185 1.00 0.00 H new ATOM 653 N GLY A 44 0.108 -4.255 -4.849 1.00 0.00 N ATOM 654 CA GLY A 44 0.744 -5.437 -4.294 1.00 0.00 C ATOM 655 C GLY A 44 0.967 -6.498 -5.374 1.00 0.00 C ATOM 656 O GLY A 44 0.602 -6.296 -6.532 1.00 0.00 O ATOM 0 H GLY A 44 -0.753 -4.436 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.699 -5.164 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.124 -5.848 -3.498 1.00 0.00 H new ATOM 660 N ARG A 45 1.564 -7.605 -4.958 1.00 0.00 N ATOM 661 CA ARG A 45 1.839 -8.697 -5.875 1.00 0.00 C ATOM 662 C ARG A 45 2.615 -9.806 -5.162 1.00 0.00 C ATOM 663 O ARG A 45 3.322 -9.548 -4.189 1.00 0.00 O ATOM 664 CB ARG A 45 2.647 -8.213 -7.081 1.00 0.00 C ATOM 665 CG ARG A 45 3.956 -7.558 -6.637 1.00 0.00 C ATOM 666 CD ARG A 45 4.980 -7.551 -7.774 1.00 0.00 C ATOM 667 NE ARG A 45 6.286 -7.064 -7.277 1.00 0.00 N ATOM 668 CZ ARG A 45 7.456 -7.300 -7.885 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.491 -8.016 -9.017 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.592 -6.819 -7.362 1.00 0.00 N ATOM 0 H ARG A 45 1.865 -7.769 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 45 0.882 -9.085 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.862 -9.054 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.056 -7.500 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.763 -6.536 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.363 -8.095 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.089 -8.556 -8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.630 -6.913 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 45 6.296 -6.514 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.626 -8.382 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.382 -8.195 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.566 -6.273 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.483 -6.999 -7.825 1.00 0.00 H new ATOM 684 N GLN A 46 2.458 -11.018 -5.674 1.00 0.00 N ATOM 685 CA GLN A 46 3.135 -12.168 -5.098 1.00 0.00 C ATOM 686 C GLN A 46 4.505 -12.358 -5.751 1.00 0.00 C ATOM 687 O GLN A 46 4.692 -12.025 -6.920 1.00 0.00 O ATOM 688 CB GLN A 46 2.282 -13.431 -5.235 1.00 0.00 C ATOM 689 CG GLN A 46 0.995 -13.315 -4.416 1.00 0.00 C ATOM 690 CD GLN A 46 -0.205 -13.843 -5.204 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.852 -13.129 -5.953 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.466 -15.130 -4.995 1.00 0.00 N ATOM 0 H GLN A 46 1.872 -11.229 -6.482 1.00 0.00 H new ATOM 0 HA GLN A 46 3.284 -11.983 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.036 -13.596 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.853 -14.298 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.099 -13.875 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.826 -12.273 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.115 -15.671 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.248 -15.576 -5.475 1.00 0.00 H new ATOM 736 N GLY A 50 2.710 -9.591 -11.229 1.00 0.00 N ATOM 737 CA GLY A 50 2.384 -8.256 -11.700 1.00 0.00 C ATOM 738 C GLY A 50 1.735 -7.427 -10.590 1.00 0.00 C ATOM 739 O GLY A 50 0.935 -7.943 -9.811 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.289 -7.758 -12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.708 -8.322 -12.552 1.00 0.00 H new ATOM 743 N TRP A 51 2.103 -6.154 -10.554 1.00 0.00 N ATOM 744 CA TRP A 51 1.566 -5.248 -9.552 1.00 0.00 C ATOM 745 C TRP A 51 0.065 -5.095 -9.809 1.00 0.00 C ATOM 746 O TRP A 51 -0.341 -4.412 -10.748 1.00 0.00 O ATOM 747 CB TRP A 51 2.314 -3.914 -9.563 1.00 0.00 C ATOM 748 CG TRP A 51 3.729 -3.988 -8.988 1.00 0.00 C ATOM 749 CD1 TRP A 51 4.892 -4.001 -9.654 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.087 -4.060 -7.591 1.00 0.00 C ATOM 751 NE1 TRP A 51 5.968 -4.076 -8.793 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.462 -4.113 -7.499 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.274 -4.080 -6.444 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.147 -4.189 -6.280 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.973 -4.156 -5.233 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.358 -4.210 -5.124 1.00 0.00 C ATOM 0 H TRP A 51 2.766 -5.729 -11.202 1.00 0.00 H new ATOM 0 HA TRP A 51 1.708 -5.653 -8.550 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.369 -3.549 -10.588 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.740 -3.183 -8.994 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.977 -3.958 -10.730 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.953 -4.100 -9.057 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.196 -4.040 -6.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.225 -4.229 -6.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.396 -4.174 -4.320 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.823 -4.268 -4.151 1.00 0.00 H new ATOM 767 N GLU A 52 -0.717 -5.742 -8.958 1.00 0.00 N ATOM 768 CA GLU A 52 -2.164 -5.686 -9.080 1.00 0.00 C ATOM 769 C GLU A 52 -2.732 -4.592 -8.174 1.00 0.00 C ATOM 770 O GLU A 52 -2.766 -4.748 -6.954 1.00 0.00 O ATOM 771 CB GLU A 52 -2.794 -7.044 -8.762 1.00 0.00 C ATOM 772 CG GLU A 52 -2.726 -7.342 -7.263 1.00 0.00 C ATOM 773 CD GLU A 52 -2.697 -8.850 -7.005 1.00 0.00 C ATOM 774 OE1 GLU A 52 -3.643 -9.523 -7.469 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.731 -9.295 -6.349 1.00 0.00 O ATOM 0 H GLU A 52 -0.376 -6.308 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.413 -5.440 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.833 -7.053 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.277 -7.827 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.836 -6.879 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.587 -6.900 -6.761 1.00 0.00 H new ATOM 782 N VAL A 53 -3.163 -3.510 -8.805 1.00 0.00 N ATOM 783 CA VAL A 53 -3.727 -2.390 -8.071 1.00 0.00 C ATOM 784 C VAL A 53 -4.722 -2.916 -7.034 1.00 0.00 C ATOM 785 O VAL A 53 -5.837 -3.303 -7.378 1.00 0.00 O ATOM 786 CB VAL A 53 -4.352 -1.388 -9.044 1.00 0.00 C ATOM 787 CG1 VAL A 53 -5.053 -0.256 -8.290 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.303 -0.836 -10.011 1.00 0.00 C ATOM 0 H VAL A 53 -3.133 -3.385 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.946 -1.855 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.104 -1.915 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.489 0.442 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.841 -0.671 -7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.329 0.268 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.773 -0.126 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.518 -0.332 -9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.869 -1.656 -10.584 1.00 0.00 H new ATOM 798 N LEU A 54 -4.281 -2.913 -5.784 1.00 0.00 N ATOM 799 CA LEU A 54 -5.119 -3.384 -4.694 1.00 0.00 C ATOM 800 C LEU A 54 -6.175 -2.324 -4.373 1.00 0.00 C ATOM 801 O LEU A 54 -7.350 -2.645 -4.206 1.00 0.00 O ATOM 802 CB LEU A 54 -4.260 -3.781 -3.492 1.00 0.00 C ATOM 803 CG LEU A 54 -3.148 -4.795 -3.767 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.341 -5.081 -2.500 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.715 -6.075 -4.387 1.00 0.00 C ATOM 0 H LEU A 54 -3.355 -2.592 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.654 -4.288 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.808 -2.879 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.915 -4.190 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.462 -4.361 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.557 -5.805 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.889 -4.157 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.000 -5.486 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.904 -6.779 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.435 -6.523 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.210 -5.835 -5.328 1.00 0.00 H new ATOM 817 N ASP A 55 -5.717 -1.083 -4.296 1.00 0.00 N ATOM 818 CA ASP A 55 -6.607 0.025 -3.998 1.00 0.00 C ATOM 819 C ASP A 55 -6.076 1.295 -4.666 1.00 0.00 C ATOM 820 O ASP A 55 -5.090 1.873 -4.213 1.00 0.00 O ATOM 821 CB ASP A 55 -6.684 0.281 -2.491 1.00 0.00 C ATOM 822 CG ASP A 55 -8.072 0.654 -1.968 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.566 1.724 -2.383 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.608 -0.140 -1.165 1.00 0.00 O ATOM 0 H ASP A 55 -4.741 -0.821 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.599 -0.230 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.344 -0.613 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.990 1.082 -2.238 1.00 0.00 H new ATOM 829 N PRO A 56 -6.771 1.702 -5.762 1.00 0.00 N ATOM 830 CA PRO A 56 -6.379 2.892 -6.497 1.00 0.00 C ATOM 831 C PRO A 56 -6.770 4.160 -5.736 1.00 0.00 C ATOM 832 O PRO A 56 -5.988 5.107 -5.657 1.00 0.00 O ATOM 833 CB PRO A 56 -7.075 2.770 -7.844 1.00 0.00 C ATOM 834 CG PRO A 56 -8.193 1.759 -7.645 1.00 0.00 C ATOM 835 CD PRO A 56 -7.944 1.042 -6.328 1.00 0.00 C ATOM 0 HA PRO A 56 -5.299 2.969 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.472 3.732 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.380 2.437 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.162 2.259 -7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.215 1.046 -8.470 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.804 1.125 -5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.763 -0.021 -6.484 1.00 0.00 H new ATOM 843 N ALA A 57 -7.979 4.139 -5.195 1.00 0.00 N ATOM 844 CA ALA A 57 -8.483 5.275 -4.443 1.00 0.00 C ATOM 845 C ALA A 57 -8.340 4.994 -2.946 1.00 0.00 C ATOM 846 O ALA A 57 -9.072 4.177 -2.391 1.00 0.00 O ATOM 847 CB ALA A 57 -9.933 5.553 -4.847 1.00 0.00 C ATOM 0 H ALA A 57 -8.625 3.352 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.904 6.171 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.311 6.405 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.977 5.775 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.545 4.676 -4.633 1.00 0.00 H new ATOM 853 N VAL A 58 -7.390 5.687 -2.335 1.00 0.00 N ATOM 854 CA VAL A 58 -7.140 5.523 -0.913 1.00 0.00 C ATOM 855 C VAL A 58 -7.191 6.891 -0.229 1.00 0.00 C ATOM 856 O VAL A 58 -6.541 7.835 -0.673 1.00 0.00 O ATOM 857 CB VAL A 58 -5.812 4.795 -0.696 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.533 4.598 0.796 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.792 3.458 -1.439 1.00 0.00 C ATOM 0 H VAL A 58 -6.784 6.364 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.913 4.904 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.017 5.418 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.583 4.078 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.484 5.569 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.333 4.006 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.837 2.961 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.601 2.826 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.924 3.633 -2.507 1.00 0.00 H new ATOM 869 N ALA A 59 -7.971 6.953 0.840 1.00 0.00 N ATOM 870 CA ALA A 59 -8.115 8.190 1.590 1.00 0.00 C ATOM 871 C ALA A 59 -6.773 8.924 1.618 1.00 0.00 C ATOM 872 O ALA A 59 -5.741 8.327 1.920 1.00 0.00 O ATOM 873 CB ALA A 59 -8.638 7.878 2.993 1.00 0.00 C ATOM 0 H ALA A 59 -8.510 6.167 1.205 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.840 8.847 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.746 8.805 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.607 7.384 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.935 7.222 3.506 1.00 0.00 H new ATOM 879 N GLY A 60 -6.831 10.208 1.298 1.00 0.00 N ATOM 880 CA GLY A 60 -5.633 11.030 1.283 1.00 0.00 C ATOM 881 C GLY A 60 -5.139 11.307 2.705 1.00 0.00 C ATOM 882 O GLY A 60 -4.098 11.934 2.893 1.00 0.00 O ATOM 0 H GLY A 60 -7.689 10.700 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.851 10.528 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.841 11.973 0.776 1.00 0.00 H new ATOM 886 N THR A 61 -5.910 10.824 3.669 1.00 0.00 N ATOM 887 CA THR A 61 -5.564 11.011 5.067 1.00 0.00 C ATOM 888 C THR A 61 -5.242 9.666 5.722 1.00 0.00 C ATOM 889 O THR A 61 -4.506 9.611 6.706 1.00 0.00 O ATOM 890 CB THR A 61 -6.716 11.756 5.744 1.00 0.00 C ATOM 891 OG1 THR A 61 -7.829 10.878 5.600 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.132 13.013 4.977 1.00 0.00 C ATOM 0 H THR A 61 -6.773 10.304 3.509 1.00 0.00 H new ATOM 0 HA THR A 61 -4.661 11.613 5.173 1.00 0.00 H new ATOM 0 HB THR A 61 -6.425 12.029 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.620 11.282 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.953 13.504 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.285 13.695 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.455 12.737 3.973 1.00 0.00 H new ATOM 900 N GLU A 62 -5.809 8.615 5.148 1.00 0.00 N ATOM 901 CA GLU A 62 -5.592 7.274 5.663 1.00 0.00 C ATOM 902 C GLU A 62 -4.095 7.007 5.834 1.00 0.00 C ATOM 903 O GLU A 62 -3.288 7.423 5.004 1.00 0.00 O ATOM 904 CB GLU A 62 -6.236 6.226 4.753 1.00 0.00 C ATOM 905 CG GLU A 62 -7.604 5.800 5.289 1.00 0.00 C ATOM 906 CD GLU A 62 -7.455 4.866 6.492 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.282 5.401 7.608 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.518 3.638 6.267 1.00 0.00 O ATOM 0 H GLU A 62 -6.418 8.665 4.331 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.068 7.200 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.346 6.631 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.584 5.356 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.176 6.682 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.167 5.298 4.502 1.00 0.00 H new ATOM 915 N THR A 63 -3.770 6.314 6.916 1.00 0.00 N ATOM 916 CA THR A 63 -2.384 5.986 7.206 1.00 0.00 C ATOM 917 C THR A 63 -2.174 4.472 7.163 1.00 0.00 C ATOM 918 O THR A 63 -1.104 3.979 7.516 1.00 0.00 O ATOM 919 CB THR A 63 -2.023 6.612 8.555 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.214 6.485 9.327 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.801 8.123 8.459 1.00 0.00 C ATOM 0 H THR A 63 -4.442 5.971 7.602 1.00 0.00 H new ATOM 0 HA THR A 63 -1.714 6.396 6.451 1.00 0.00 H new ATOM 0 HB THR A 63 -1.123 6.137 8.946 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.068 6.865 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.548 8.517 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.985 8.328 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.712 8.602 8.100 1.00 0.00 H new ATOM 929 N GLU A 64 -3.213 3.774 6.727 1.00 0.00 N ATOM 930 CA GLU A 64 -3.156 2.326 6.634 1.00 0.00 C ATOM 931 C GLU A 64 -4.374 1.794 5.876 1.00 0.00 C ATOM 932 O GLU A 64 -5.297 2.548 5.570 1.00 0.00 O ATOM 933 CB GLU A 64 -3.053 1.690 8.022 1.00 0.00 C ATOM 934 CG GLU A 64 -4.003 2.372 9.008 1.00 0.00 C ATOM 935 CD GLU A 64 -3.248 2.865 10.244 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.078 3.268 10.071 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.858 2.828 11.335 1.00 0.00 O ATOM 0 H GLU A 64 -4.099 4.185 6.434 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.259 2.053 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.290 0.628 7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.028 1.767 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.498 3.212 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.784 1.673 9.309 1.00 0.00 H new ATOM 944 N LEU A 65 -4.338 0.500 5.594 1.00 0.00 N ATOM 945 CA LEU A 65 -5.427 -0.141 4.878 1.00 0.00 C ATOM 946 C LEU A 65 -5.334 -1.657 5.066 1.00 0.00 C ATOM 947 O LEU A 65 -4.247 -2.194 5.275 1.00 0.00 O ATOM 948 CB LEU A 65 -5.436 0.297 3.412 1.00 0.00 C ATOM 949 CG LEU A 65 -6.269 -0.563 2.460 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.717 -0.070 2.400 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.627 -0.625 1.073 1.00 0.00 C ATOM 0 H LEU A 65 -3.571 -0.122 5.849 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.388 0.173 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.805 1.321 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.407 0.311 3.051 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.291 -1.581 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.287 -0.699 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.160 -0.121 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.736 0.961 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.239 -1.243 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.554 0.381 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.630 -1.058 1.153 1.00 0.00 H new ATOM 963 N LEU A 66 -6.488 -2.303 4.986 1.00 0.00 N ATOM 964 CA LEU A 66 -6.550 -3.746 5.145 1.00 0.00 C ATOM 965 C LEU A 66 -6.423 -4.412 3.774 1.00 0.00 C ATOM 966 O LEU A 66 -6.962 -3.915 2.786 1.00 0.00 O ATOM 967 CB LEU A 66 -7.814 -4.147 5.909 1.00 0.00 C ATOM 968 CG LEU A 66 -7.834 -5.570 6.472 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.832 -5.720 7.619 1.00 0.00 C ATOM 970 CD2 LEU A 66 -9.249 -5.974 6.890 1.00 0.00 C ATOM 0 H LEU A 66 -7.387 -1.854 4.813 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.714 -4.099 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.953 -3.449 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.670 -4.028 5.244 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.524 -6.254 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.866 -6.740 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.828 -5.502 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.087 -5.024 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.235 -6.989 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.611 -5.290 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.910 -5.931 6.024 1.00 0.00 H new ATOM 982 N VAL A 67 -5.707 -5.526 3.757 1.00 0.00 N ATOM 983 CA VAL A 67 -5.502 -6.265 2.522 1.00 0.00 C ATOM 984 C VAL A 67 -5.615 -7.765 2.806 1.00 0.00 C ATOM 985 O VAL A 67 -4.617 -8.483 2.773 1.00 0.00 O ATOM 986 CB VAL A 67 -4.162 -5.875 1.895 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.268 -4.533 1.167 1.00 0.00 C ATOM 988 CG2 VAL A 67 -3.053 -5.841 2.947 1.00 0.00 C ATOM 0 H VAL A 67 -5.261 -5.935 4.578 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.272 -6.013 1.793 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.902 -6.636 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.302 -4.279 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.016 -4.606 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.562 -3.758 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.112 -5.561 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.304 -5.111 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.952 -6.827 3.401 1.00 0.00 H new ATOM 998 N PRO A 68 -6.871 -8.204 3.086 1.00 0.00 N ATOM 999 CA PRO A 68 -7.127 -9.604 3.375 1.00 0.00 C ATOM 1000 C PRO A 68 -7.081 -10.445 2.098 1.00 0.00 C ATOM 1001 O PRO A 68 -7.109 -11.674 2.158 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.489 -9.624 4.050 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.149 -8.300 3.697 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.077 -7.381 3.134 1.00 0.00 C ATOM 0 HA PRO A 68 -6.369 -10.045 4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.087 -10.465 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.388 -9.735 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.944 -8.452 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.608 -7.855 4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.348 -7.017 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.934 -6.505 3.767 1.00 0.00 H new ATOM 1012 N GLY A 69 -7.010 -9.750 0.972 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.959 -10.418 -0.318 1.00 0.00 C ATOM 1014 C GLY A 69 -5.733 -11.327 -0.416 1.00 0.00 C ATOM 1015 O GLY A 69 -5.724 -12.281 -1.194 1.00 0.00 O ATOM 0 H GLY A 69 -6.987 -8.731 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.865 -11.006 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.930 -9.675 -1.115 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.728 -11.001 0.383 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.499 -11.776 0.395 1.00 0.00 C ATOM 1021 C LEU A 70 -3.842 -13.264 0.490 1.00 0.00 C ATOM 1022 O LEU A 70 -5.006 -13.628 0.643 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.568 -11.288 1.507 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.092 -9.838 1.394 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.662 -9.689 1.917 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.233 -9.325 -0.041 1.00 0.00 C ATOM 0 H LEU A 70 -4.740 -10.210 1.027 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.949 -11.633 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.080 -11.408 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.692 -11.936 1.531 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.732 -9.218 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.348 -8.649 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.625 -9.989 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.006 -10.323 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.888 -8.292 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.633 -9.943 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.279 -9.374 -0.344 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.806 -14.085 0.394 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.982 -15.525 0.466 1.00 0.00 C ATOM 1040 C ILE A 71 -1.824 -16.137 1.256 1.00 0.00 C ATOM 1041 O ILE A 71 -1.004 -15.416 1.823 1.00 0.00 O ATOM 1042 CB ILE A 71 -3.151 -16.115 -0.935 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.781 -15.097 -1.887 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.944 -17.423 -0.887 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.090 -15.733 -3.244 1.00 0.00 C ATOM 0 H ILE A 71 -1.841 -13.779 0.267 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.899 -15.770 1.002 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.162 -16.352 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.698 -14.703 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.104 -14.253 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.050 -17.822 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.416 -18.146 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.932 -17.235 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.537 -14.988 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.167 -16.104 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.786 -16.561 -3.108 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.792 -17.462 1.268 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.747 -18.179 1.979 1.00 0.00 C ATOM 1059 C LYS A 72 0.173 -18.866 0.968 1.00 0.00 C ATOM 1060 O LYS A 72 -0.091 -18.841 -0.234 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.358 -19.137 3.004 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.203 -20.211 2.316 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.572 -20.344 2.986 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.692 -19.919 2.034 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.550 -18.894 2.668 1.00 0.00 N ATOM 0 H LYS A 72 -2.473 -18.057 0.797 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.131 -17.486 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.565 -19.609 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.976 -18.578 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.332 -19.958 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.682 -21.168 2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.729 -21.376 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.602 -19.729 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.264 -19.524 1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.293 -20.786 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.305 -18.617 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.973 -19.283 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.976 -18.060 2.907 1.00 0.00 H new ATOM 1079 N ASP A 73 1.234 -19.463 1.491 1.00 0.00 N ATOM 1080 CA ASP A 73 2.194 -20.155 0.649 1.00 0.00 C ATOM 1081 C ASP A 73 2.699 -19.199 -0.434 1.00 0.00 C ATOM 1082 O ASP A 73 3.225 -19.635 -1.456 1.00 0.00 O ATOM 1083 CB ASP A 73 1.553 -21.358 -0.045 1.00 0.00 C ATOM 1084 CG ASP A 73 1.597 -22.664 0.752 1.00 0.00 C ATOM 1085 OD1 ASP A 73 2.718 -23.045 1.154 1.00 0.00 O ATOM 1086 OD2 ASP A 73 0.510 -23.251 0.941 1.00 0.00 O ATOM 0 H ASP A 73 1.450 -19.482 2.488 1.00 0.00 H new ATOM 0 HA ASP A 73 3.012 -20.498 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.513 -21.119 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.053 -21.516 -1.001 1.00 0.00 H new ATOM 1091 N VAL A 74 2.520 -17.912 -0.172 1.00 0.00 N ATOM 1092 CA VAL A 74 2.951 -16.891 -1.111 1.00 0.00 C ATOM 1093 C VAL A 74 3.438 -15.664 -0.337 1.00 0.00 C ATOM 1094 O VAL A 74 3.181 -15.539 0.860 1.00 0.00 O ATOM 1095 CB VAL A 74 1.820 -16.569 -2.090 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.411 -17.812 -2.883 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.619 -15.965 -1.360 1.00 0.00 C ATOM 0 H VAL A 74 2.082 -17.554 0.677 1.00 0.00 H new ATOM 0 HA VAL A 74 3.788 -17.252 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 74 2.190 -15.827 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.606 -17.556 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.267 -18.181 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.068 -18.586 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.171 -15.745 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.249 -16.674 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.922 -15.044 -0.861 1.00 0.00 H new ATOM 1107 N LEU A 75 4.132 -14.791 -1.051 1.00 0.00 N ATOM 1108 CA LEU A 75 4.658 -13.579 -0.445 1.00 0.00 C ATOM 1109 C LEU A 75 4.172 -12.365 -1.240 1.00 0.00 C ATOM 1110 O LEU A 75 4.758 -12.013 -2.263 1.00 0.00 O ATOM 1111 CB LEU A 75 6.180 -13.660 -0.316 1.00 0.00 C ATOM 1112 CG LEU A 75 6.824 -12.680 0.667 1.00 0.00 C ATOM 1113 CD1 LEU A 75 5.953 -11.435 0.848 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.131 -13.364 2.000 1.00 0.00 C ATOM 0 H LEU A 75 4.343 -14.898 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 75 4.281 -13.467 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.446 -14.673 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.617 -13.496 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 75 7.775 -12.350 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.433 -10.754 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.828 -10.935 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.977 -11.727 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.588 -12.646 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.206 -13.741 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.818 -14.194 1.833 1.00 0.00 H new ATOM 1126 N TYR A 76 3.106 -11.758 -0.739 1.00 0.00 N ATOM 1127 CA TYR A 76 2.535 -10.591 -1.390 1.00 0.00 C ATOM 1128 C TYR A 76 3.279 -9.317 -0.983 1.00 0.00 C ATOM 1129 O TYR A 76 3.639 -9.150 0.181 1.00 0.00 O ATOM 1130 CB TYR A 76 1.088 -10.500 -0.900 1.00 0.00 C ATOM 1131 CG TYR A 76 0.067 -11.114 -1.860 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.191 -12.469 -1.819 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.596 -10.312 -2.767 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.152 -13.047 -2.723 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.558 -10.890 -3.670 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.788 -12.228 -3.604 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.696 -12.774 -4.457 1.00 0.00 O ATOM 0 H TYR A 76 2.623 -12.052 0.110 1.00 0.00 H new ATOM 0 HA TYR A 76 2.605 -10.684 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.010 -11.000 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.835 -9.452 -0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.328 -13.096 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.394 -9.252 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.363 -14.106 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.085 -10.274 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.333 -12.772 -5.367 1.00 0.00 H new ATOM 1147 N GLU A 77 3.487 -8.452 -1.965 1.00 0.00 N ATOM 1148 CA GLU A 77 4.181 -7.199 -1.723 1.00 0.00 C ATOM 1149 C GLU A 77 3.180 -6.045 -1.640 1.00 0.00 C ATOM 1150 O GLU A 77 1.971 -6.260 -1.711 1.00 0.00 O ATOM 1151 CB GLU A 77 5.231 -6.937 -2.805 1.00 0.00 C ATOM 1152 CG GLU A 77 6.577 -7.557 -2.424 1.00 0.00 C ATOM 1153 CD GLU A 77 7.362 -7.972 -3.670 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.058 -9.065 -4.194 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.247 -7.186 -4.071 1.00 0.00 O ATOM 0 H GLU A 77 3.187 -8.594 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 77 4.701 -7.272 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.891 -7.351 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.349 -5.863 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.160 -6.841 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.414 -8.426 -1.787 1.00 0.00 H new ATOM 1162 N PHE A 78 3.720 -4.844 -1.491 1.00 0.00 N ATOM 1163 CA PHE A 78 2.890 -3.656 -1.397 1.00 0.00 C ATOM 1164 C PHE A 78 3.692 -2.398 -1.734 1.00 0.00 C ATOM 1165 O PHE A 78 4.915 -2.382 -1.599 1.00 0.00 O ATOM 1166 CB PHE A 78 2.403 -3.564 0.050 1.00 0.00 C ATOM 1167 CG PHE A 78 1.413 -4.662 0.445 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.241 -4.797 -0.232 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.705 -5.503 1.474 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.677 -5.816 0.135 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.787 -6.522 1.840 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.385 -6.657 1.163 1.00 0.00 C ATOM 0 H PHE A 78 4.723 -4.669 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 78 2.061 -3.725 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.265 -3.609 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.933 -2.593 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.009 -4.129 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.635 -5.395 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.608 -5.923 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.019 -7.190 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.084 -7.432 1.442 1.00 0.00 H new ATOM 1182 N ARG A 79 2.972 -1.373 -2.165 1.00 0.00 N ATOM 1183 CA ARG A 79 3.602 -0.113 -2.522 1.00 0.00 C ATOM 1184 C ARG A 79 2.555 0.999 -2.606 1.00 0.00 C ATOM 1185 O ARG A 79 1.598 0.899 -3.374 1.00 0.00 O ATOM 1186 CB ARG A 79 4.329 -0.222 -3.864 1.00 0.00 C ATOM 1187 CG ARG A 79 3.337 -0.213 -5.028 1.00 0.00 C ATOM 1188 CD ARG A 79 4.023 -0.609 -6.337 1.00 0.00 C ATOM 1189 NE ARG A 79 3.590 0.291 -7.429 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.853 0.080 -8.725 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.550 -1.001 -9.100 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.421 0.951 -9.647 1.00 0.00 N ATOM 0 H ARG A 79 1.958 -1.389 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 79 4.329 0.126 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.028 0.607 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.917 -1.140 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.519 -0.903 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.899 0.780 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.105 -0.557 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.779 -1.641 -6.587 1.00 0.00 H new ATOM 0 HE ARG A 79 3.058 1.124 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.880 -1.663 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.750 -1.162 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.892 1.775 -9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.621 0.790 -10.634 1.00 0.00 H new ATOM 1206 N LEU A 80 2.770 2.033 -1.807 1.00 0.00 N ATOM 1207 CA LEU A 80 1.857 3.163 -1.781 1.00 0.00 C ATOM 1208 C LEU A 80 2.475 4.330 -2.553 1.00 0.00 C ATOM 1209 O LEU A 80 3.672 4.588 -2.443 1.00 0.00 O ATOM 1210 CB LEU A 80 1.476 3.511 -0.341 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.003 3.818 -0.094 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.896 2.728 -0.690 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.277 4.032 1.396 1.00 0.00 C ATOM 0 H LEU A 80 3.564 2.112 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 80 0.922 2.909 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.766 2.680 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.063 4.375 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.248 4.750 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.942 2.970 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.727 2.666 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.657 1.769 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.335 4.249 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.010 3.131 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.319 4.869 1.759 1.00 0.00 H new ATOM 1225 N VAL A 81 1.630 5.006 -3.318 1.00 0.00 N ATOM 1226 CA VAL A 81 2.078 6.140 -4.108 1.00 0.00 C ATOM 1227 C VAL A 81 1.040 7.260 -4.018 1.00 0.00 C ATOM 1228 O VAL A 81 -0.058 7.140 -4.561 1.00 0.00 O ATOM 1229 CB VAL A 81 2.357 5.698 -5.546 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.862 4.270 -5.787 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.735 6.671 -6.550 1.00 0.00 C ATOM 0 H VAL A 81 0.637 4.790 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 81 3.016 6.533 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 81 3.437 5.708 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.073 3.981 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.373 3.588 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.788 4.222 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.948 6.333 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.656 6.709 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.157 7.665 -6.402 1.00 0.00 H new ATOM 1241 N ALA A 82 1.424 8.325 -3.330 1.00 0.00 N ATOM 1242 CA ALA A 82 0.540 9.466 -3.162 1.00 0.00 C ATOM 1243 C ALA A 82 0.444 10.230 -4.484 1.00 0.00 C ATOM 1244 O ALA A 82 1.411 10.290 -5.242 1.00 0.00 O ATOM 1245 CB ALA A 82 1.051 10.344 -2.017 1.00 0.00 C ATOM 0 H ALA A 82 2.335 8.422 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.465 9.137 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.388 11.200 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.073 9.763 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.057 10.695 -2.249 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.731 10.796 -4.720 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.965 11.554 -5.937 1.00 0.00 C ATOM 1253 C PHE A 83 -2.035 12.625 -5.718 1.00 0.00 C ATOM 1254 O PHE A 83 -3.086 12.350 -5.142 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.461 10.563 -6.992 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.782 9.880 -6.632 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.953 10.563 -6.740 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.786 8.589 -6.204 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.179 9.929 -6.406 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.011 7.955 -5.870 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.182 8.638 -5.978 1.00 0.00 C ATOM 0 H PHE A 83 -1.531 10.745 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.047 12.053 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.581 11.087 -7.940 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.699 9.799 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.951 11.588 -7.080 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.856 8.046 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.109 10.472 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.013 6.930 -5.530 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.114 8.155 -5.724 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.731 13.825 -6.190 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.653 14.940 -6.053 1.00 0.00 C ATOM 1273 C ALA A 84 -3.082 15.415 -7.443 1.00 0.00 C ATOM 1274 O ALA A 84 -2.302 16.044 -8.156 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.994 16.051 -5.235 1.00 0.00 C ATOM 0 H ALA A 84 -0.859 14.050 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.551 14.631 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.686 16.887 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.736 15.671 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.090 16.388 -5.742 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.321 15.096 -7.786 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.863 15.483 -9.078 1.00 0.00 C ATOM 1283 C GLY A 85 -3.746 15.680 -10.104 1.00 0.00 C ATOM 1284 O GLY A 85 -3.179 16.766 -10.209 1.00 0.00 O ATOM 0 H GLY A 85 -4.965 14.574 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.554 14.718 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.434 16.406 -8.975 1.00 0.00 H new ATOM 1288 N SER A 86 -3.463 14.612 -10.836 1.00 0.00 N ATOM 1289 CA SER A 86 -2.424 14.654 -11.851 1.00 0.00 C ATOM 1290 C SER A 86 -1.083 14.234 -11.244 1.00 0.00 C ATOM 1291 O SER A 86 -0.465 13.274 -11.701 1.00 0.00 O ATOM 1292 CB SER A 86 -2.313 16.049 -12.468 1.00 0.00 C ATOM 1293 OG SER A 86 -3.590 16.656 -12.648 1.00 0.00 O ATOM 0 H SER A 86 -3.935 13.712 -10.746 1.00 0.00 H new ATOM 0 HA SER A 86 -2.692 13.956 -12.644 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.698 16.681 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.805 15.981 -13.430 1.00 0.00 H new ATOM 0 HG SER A 86 -3.766 17.274 -11.908 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.674 14.973 -10.224 1.00 0.00 N ATOM 1300 CA PHE A 87 0.582 14.690 -9.551 1.00 0.00 C ATOM 1301 C PHE A 87 0.591 13.269 -8.984 1.00 0.00 C ATOM 1302 O PHE A 87 -0.280 12.906 -8.194 1.00 0.00 O ATOM 1303 CB PHE A 87 0.706 15.687 -8.397 1.00 0.00 C ATOM 1304 CG PHE A 87 0.981 17.124 -8.844 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.051 17.934 -9.203 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.257 17.592 -8.882 1.00 0.00 C ATOM 1307 CE1 PHE A 87 0.204 19.268 -9.618 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.512 18.926 -9.297 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.480 19.736 -9.656 1.00 0.00 C ATOM 0 H PHE A 87 -1.190 15.768 -9.847 1.00 0.00 H new ATOM 0 HA PHE A 87 1.410 14.778 -10.255 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.215 15.669 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.509 15.363 -7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.065 17.563 -9.172 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.077 16.949 -8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.616 19.911 -9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.526 19.297 -9.328 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.674 20.751 -9.971 1.00 0.00 H new ATOM 1319 N VAL A 88 1.585 12.503 -9.408 1.00 0.00 N ATOM 1320 CA VAL A 88 1.719 11.130 -8.953 1.00 0.00 C ATOM 1321 C VAL A 88 3.089 10.946 -8.296 1.00 0.00 C ATOM 1322 O VAL A 88 4.117 10.997 -8.970 1.00 0.00 O ATOM 1323 CB VAL A 88 1.481 10.166 -10.118 1.00 0.00 C ATOM 1324 CG1 VAL A 88 1.963 8.756 -9.770 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.008 10.157 -10.529 1.00 0.00 C ATOM 0 H VAL A 88 2.306 12.807 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 88 0.964 10.902 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 88 2.064 10.518 -10.969 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.782 8.091 -10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.030 8.780 -9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.420 8.391 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.134 9.464 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.604 9.841 -9.684 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.290 11.159 -10.838 1.00 0.00 H new ATOM 1335 N SER A 89 3.059 10.736 -6.988 1.00 0.00 N ATOM 1336 CA SER A 89 4.285 10.545 -6.233 1.00 0.00 C ATOM 1337 C SER A 89 4.808 9.121 -6.435 1.00 0.00 C ATOM 1338 O SER A 89 4.063 8.236 -6.852 1.00 0.00 O ATOM 1339 CB SER A 89 4.064 10.822 -4.744 1.00 0.00 C ATOM 1340 OG SER A 89 3.523 9.693 -4.065 1.00 0.00 O ATOM 0 H SER A 89 2.205 10.694 -6.432 1.00 0.00 H new ATOM 0 HA SER A 89 5.027 11.254 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.011 11.102 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.390 11.671 -4.629 1.00 0.00 H new ATOM 0 HG SER A 89 2.809 9.297 -4.607 1.00 0.00 H new ATOM 1346 N ASP A 90 6.085 8.945 -6.129 1.00 0.00 N ATOM 1347 CA ASP A 90 6.716 7.643 -6.273 1.00 0.00 C ATOM 1348 C ASP A 90 6.147 6.688 -5.222 1.00 0.00 C ATOM 1349 O ASP A 90 5.676 7.122 -4.172 1.00 0.00 O ATOM 1350 CB ASP A 90 8.228 7.738 -6.057 1.00 0.00 C ATOM 1351 CG ASP A 90 9.040 8.072 -7.310 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.438 8.027 -8.405 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.243 8.366 -7.145 1.00 0.00 O ATOM 0 H ASP A 90 6.700 9.681 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 90 6.518 7.280 -7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.425 8.498 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.583 6.789 -5.655 1.00 0.00 H new ATOM 1358 N PRO A 91 6.212 5.369 -5.550 1.00 0.00 N ATOM 1359 CA PRO A 91 5.709 4.348 -4.646 1.00 0.00 C ATOM 1360 C PRO A 91 6.665 4.138 -3.470 1.00 0.00 C ATOM 1361 O PRO A 91 7.761 3.608 -3.644 1.00 0.00 O ATOM 1362 CB PRO A 91 5.546 3.107 -5.508 1.00 0.00 C ATOM 1363 CG PRO A 91 6.396 3.343 -6.746 1.00 0.00 C ATOM 1364 CD PRO A 91 6.763 4.818 -6.784 1.00 0.00 C ATOM 0 HA PRO A 91 4.761 4.624 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.874 2.215 -4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.501 2.952 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.294 2.727 -6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.847 3.063 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.843 4.956 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.340 5.309 -7.660 1.00 0.00 H new ATOM 1372 N SER A 92 6.214 4.564 -2.299 1.00 0.00 N ATOM 1373 CA SER A 92 7.016 4.430 -1.095 1.00 0.00 C ATOM 1374 C SER A 92 7.667 3.046 -1.052 1.00 0.00 C ATOM 1375 O SER A 92 7.331 2.173 -1.850 1.00 0.00 O ATOM 1376 CB SER A 92 6.168 4.657 0.159 1.00 0.00 C ATOM 1377 OG SER A 92 5.018 3.817 0.185 1.00 0.00 O ATOM 0 H SER A 92 5.304 5.002 -2.159 1.00 0.00 H new ATOM 0 HA SER A 92 7.796 5.191 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.774 4.469 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.856 5.700 0.201 1.00 0.00 H new ATOM 0 HG SER A 92 4.439 4.078 0.932 1.00 0.00 H new ATOM 1383 N ASN A 93 8.587 2.889 -0.112 1.00 0.00 N ATOM 1384 CA ASN A 93 9.289 1.627 0.046 1.00 0.00 C ATOM 1385 C ASN A 93 8.308 0.473 -0.172 1.00 0.00 C ATOM 1386 O ASN A 93 7.096 0.657 -0.076 1.00 0.00 O ATOM 1387 CB ASN A 93 9.871 1.492 1.454 1.00 0.00 C ATOM 1388 CG ASN A 93 8.856 1.930 2.512 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.553 3.101 2.672 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.348 0.927 3.222 1.00 0.00 N ATOM 0 H ASN A 93 8.863 3.616 0.549 1.00 0.00 H new ATOM 0 HA ASN A 93 10.099 1.598 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.164 0.457 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.773 2.098 1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.661 1.116 3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.645 -0.031 3.037 1.00 0.00 H new ATOM 1397 N THR A 94 8.869 -0.692 -0.463 1.00 0.00 N ATOM 1398 CA THR A 94 8.059 -1.876 -0.695 1.00 0.00 C ATOM 1399 C THR A 94 7.839 -2.637 0.613 1.00 0.00 C ATOM 1400 O THR A 94 8.784 -2.871 1.366 1.00 0.00 O ATOM 1401 CB THR A 94 8.745 -2.712 -1.777 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.352 -1.746 -2.631 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.743 -3.432 -2.683 1.00 0.00 C ATOM 0 H THR A 94 9.875 -0.841 -0.543 1.00 0.00 H new ATOM 0 HA THR A 94 7.063 -1.611 -1.050 1.00 0.00 H new ATOM 0 HB THR A 94 9.402 -3.444 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.821 -2.203 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.282 -4.011 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.125 -4.101 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.108 -2.698 -3.178 1.00 0.00 H new ATOM 1411 N ALA A 95 6.587 -3.003 0.844 1.00 0.00 N ATOM 1412 CA ALA A 95 6.231 -3.733 2.049 1.00 0.00 C ATOM 1413 C ALA A 95 5.568 -5.056 1.661 1.00 0.00 C ATOM 1414 O ALA A 95 4.840 -5.124 0.672 1.00 0.00 O ATOM 1415 CB ALA A 95 5.327 -2.863 2.925 1.00 0.00 C ATOM 0 H ALA A 95 5.806 -2.808 0.217 1.00 0.00 H new ATOM 0 HA ALA A 95 7.121 -3.969 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.060 -3.411 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.855 -1.949 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.422 -2.609 2.374 1.00 0.00 H new ATOM 1421 N ASN A 96 5.844 -6.076 2.461 1.00 0.00 N ATOM 1422 CA ASN A 96 5.284 -7.394 2.213 1.00 0.00 C ATOM 1423 C ASN A 96 5.114 -8.129 3.544 1.00 0.00 C ATOM 1424 O ASN A 96 5.664 -7.712 4.562 1.00 0.00 O ATOM 1425 CB ASN A 96 6.211 -8.229 1.327 1.00 0.00 C ATOM 1426 CG ASN A 96 7.456 -8.671 2.099 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.627 -8.380 3.271 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.313 -9.389 1.378 1.00 0.00 N ATOM 0 H ASN A 96 6.448 -6.016 3.281 1.00 0.00 H new ATOM 0 HA ASN A 96 4.326 -7.264 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.677 -9.105 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.507 -7.647 0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.175 -9.732 1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.108 -9.597 0.401 1.00 0.00 H new ATOM 1435 N VAL A 97 4.350 -9.210 3.493 1.00 0.00 N ATOM 1436 CA VAL A 97 4.100 -10.007 4.682 1.00 0.00 C ATOM 1437 C VAL A 97 4.453 -11.468 4.395 1.00 0.00 C ATOM 1438 O VAL A 97 4.609 -11.857 3.238 1.00 0.00 O ATOM 1439 CB VAL A 97 2.653 -9.821 5.142 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.166 -8.399 4.859 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.733 -10.855 4.490 1.00 0.00 C ATOM 0 H VAL A 97 3.896 -9.553 2.647 1.00 0.00 H new ATOM 0 HA VAL A 97 4.734 -9.675 5.504 1.00 0.00 H new ATOM 0 HB VAL A 97 2.622 -9.977 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.135 -8.294 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.796 -7.686 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.220 -8.202 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.710 -10.700 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.772 -10.745 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.060 -11.858 4.764 1.00 0.00 H new ATOM 1451 N SER A 98 4.569 -12.237 5.467 1.00 0.00 N ATOM 1452 CA SER A 98 4.901 -13.647 5.345 1.00 0.00 C ATOM 1453 C SER A 98 3.697 -14.504 5.740 1.00 0.00 C ATOM 1454 O SER A 98 2.820 -14.049 6.473 1.00 0.00 O ATOM 1455 CB SER A 98 6.113 -14.004 6.208 1.00 0.00 C ATOM 1456 OG SER A 98 6.481 -15.374 6.071 1.00 0.00 O ATOM 0 H SER A 98 4.439 -11.911 6.425 1.00 0.00 H new ATOM 0 HA SER A 98 5.157 -13.849 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.956 -13.372 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.889 -13.792 7.253 1.00 0.00 H new ATOM 0 HG SER A 98 7.259 -15.562 6.636 1.00 0.00 H new