USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 HIS : no HE2:sc= -5.09! C(o=-5.1!,f=-4.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0841 K(o=-0.084,f=-0.78) USER MOD Single : A 37 MET CE :methyl 176:sc= -2.72! (180deg=-2.75!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 1.06 K(o=1.1,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 0.366 K(o=0.37,f=-4.2!) USER MOD Single : A 58 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.2!) USER MOD Single : A 60 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.2) USER MOD Single : B 13 HIS : no HE2:sc= -4.02! C(o=-4!,f=-3.7!) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 37 MET CE :methyl -155:sc= -3.36! (180deg=-4.78!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 1.93 K(o=1.9,f=-5.7!) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 50 HIS : no HE2:sc= 0.921 K(o=0.92,f=-5.6!) USER MOD Single : B 58 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 72 N ALA A 7 17.566 -2.772 10.284 1.00 2.47 N ATOM 73 CA ALA A 7 17.200 -2.150 9.022 1.00 2.28 C ATOM 74 C ALA A 7 17.724 -2.947 7.835 1.00 2.05 C ATOM 75 O ALA A 7 16.994 -3.194 6.880 1.00 1.85 O ATOM 76 CB ALA A 7 17.717 -0.719 8.973 1.00 2.50 C ATOM 0 HA ALA A 7 16.112 -2.137 8.956 1.00 2.28 H new ATOM 0 HB1 ALA A 7 17.437 -0.263 8.023 1.00 2.50 H new ATOM 0 HB2 ALA A 7 17.282 -0.147 9.792 1.00 2.50 H new ATOM 0 HB3 ALA A 7 18.803 -0.721 9.068 1.00 2.50 H new ATOM 82 N GLY A 8 18.984 -3.362 7.910 1.00 2.13 N ATOM 83 CA GLY A 8 19.597 -4.098 6.821 1.00 2.02 C ATOM 84 C GLY A 8 18.853 -5.373 6.498 1.00 1.90 C ATOM 85 O GLY A 8 18.556 -5.644 5.339 1.00 1.76 O ATOM 0 H GLY A 8 19.594 -3.200 8.711 1.00 2.13 H new ATOM 0 HA2 GLY A 8 19.632 -3.466 5.933 1.00 2.02 H new ATOM 0 HA3 GLY A 8 20.628 -4.338 7.083 1.00 2.02 H new ATOM 89 N ALA A 9 18.521 -6.138 7.531 1.00 2.01 N ATOM 90 CA ALA A 9 17.811 -7.398 7.356 1.00 1.97 C ATOM 91 C ALA A 9 16.379 -7.158 6.886 1.00 1.73 C ATOM 92 O ALA A 9 15.874 -7.867 6.014 1.00 1.64 O ATOM 93 CB ALA A 9 17.822 -8.188 8.654 1.00 2.19 C ATOM 0 H ALA A 9 18.733 -5.906 8.501 1.00 2.01 H new ATOM 0 HA ALA A 9 18.323 -7.977 6.587 1.00 1.97 H new ATOM 0 HB1 ALA A 9 17.289 -9.128 8.512 1.00 2.19 H new ATOM 0 HB2 ALA A 9 18.852 -8.395 8.945 1.00 2.19 H new ATOM 0 HB3 ALA A 9 17.333 -7.608 9.437 1.00 2.19 H new ATOM 99 N LEU A 10 15.733 -6.152 7.462 1.00 1.68 N ATOM 100 CA LEU A 10 14.372 -5.794 7.084 1.00 1.51 C ATOM 101 C LEU A 10 14.318 -5.348 5.629 1.00 1.33 C ATOM 102 O LEU A 10 13.473 -5.808 4.857 1.00 1.21 O ATOM 103 CB LEU A 10 13.852 -4.687 7.999 1.00 1.62 C ATOM 104 CG LEU A 10 12.562 -4.000 7.549 1.00 1.49 C ATOM 105 CD1 LEU A 10 11.389 -4.962 7.619 1.00 1.55 C ATOM 106 CD2 LEU A 10 12.301 -2.765 8.397 1.00 1.60 C ATOM 0 H LEU A 10 16.132 -5.567 8.196 1.00 1.68 H new ATOM 0 HA LEU A 10 13.737 -6.673 7.194 1.00 1.51 H new ATOM 0 HB2 LEU A 10 13.689 -5.108 8.991 1.00 1.62 H new ATOM 0 HB3 LEU A 10 14.629 -3.929 8.098 1.00 1.62 H new ATOM 0 HG LEU A 10 12.678 -3.687 6.511 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.481 -4.453 7.295 1.00 1.55 H new ATOM 0 HD12 LEU A 10 11.579 -5.815 6.968 1.00 1.55 H new ATOM 0 HD13 LEU A 10 11.264 -5.309 8.645 1.00 1.55 H new ATOM 0 HD21 LEU A 10 11.380 -2.285 8.067 1.00 1.60 H new ATOM 0 HD22 LEU A 10 12.204 -3.056 9.443 1.00 1.60 H new ATOM 0 HD23 LEU A 10 13.132 -2.068 8.290 1.00 1.60 H new ATOM 118 N LEU A 11 15.240 -4.477 5.259 1.00 1.38 N ATOM 119 CA LEU A 11 15.337 -3.983 3.897 1.00 1.31 C ATOM 120 C LEU A 11 15.656 -5.141 2.954 1.00 1.29 C ATOM 121 O LEU A 11 15.034 -5.288 1.902 1.00 1.22 O ATOM 122 CB LEU A 11 16.408 -2.876 3.840 1.00 1.44 C ATOM 123 CG LEU A 11 16.621 -2.167 2.493 1.00 1.48 C ATOM 124 CD1 LEU A 11 17.529 -2.986 1.592 1.00 1.71 C ATOM 125 CD2 LEU A 11 15.289 -1.885 1.809 1.00 1.43 C ATOM 0 H LEU A 11 15.941 -4.093 5.893 1.00 1.38 H new ATOM 0 HA LEU A 11 14.389 -3.552 3.576 1.00 1.31 H new ATOM 0 HB2 LEU A 11 16.151 -2.120 4.582 1.00 1.44 H new ATOM 0 HB3 LEU A 11 17.359 -3.312 4.146 1.00 1.44 H new ATOM 0 HG LEU A 11 17.107 -1.211 2.687 1.00 1.48 H new ATOM 0 HD11 LEU A 11 17.666 -2.466 0.644 1.00 1.71 H new ATOM 0 HD12 LEU A 11 18.497 -3.120 2.076 1.00 1.71 H new ATOM 0 HD13 LEU A 11 17.077 -3.961 1.409 1.00 1.71 H new ATOM 0 HD21 LEU A 11 15.467 -1.383 0.858 1.00 1.43 H new ATOM 0 HD22 LEU A 11 14.765 -2.824 1.631 1.00 1.43 H new ATOM 0 HD23 LEU A 11 14.680 -1.246 2.448 1.00 1.43 H new ATOM 137 N ALA A 12 16.595 -5.980 3.362 1.00 1.43 N ATOM 138 CA ALA A 12 17.032 -7.105 2.545 1.00 1.53 C ATOM 139 C ALA A 12 15.907 -8.105 2.294 1.00 1.49 C ATOM 140 O ALA A 12 15.683 -8.510 1.155 1.00 1.51 O ATOM 141 CB ALA A 12 18.217 -7.796 3.190 1.00 1.75 C ATOM 0 H ALA A 12 17.073 -5.903 4.260 1.00 1.43 H new ATOM 0 HA ALA A 12 17.333 -6.705 1.577 1.00 1.53 H new ATOM 0 HB1 ALA A 12 18.532 -8.634 2.568 1.00 1.75 H new ATOM 0 HB2 ALA A 12 19.040 -7.089 3.290 1.00 1.75 H new ATOM 0 HB3 ALA A 12 17.932 -8.163 4.176 1.00 1.75 H new ATOM 147 N HIS A 13 15.188 -8.504 3.342 1.00 1.46 N ATOM 148 CA HIS A 13 14.146 -9.513 3.182 1.00 1.48 C ATOM 149 C HIS A 13 12.947 -8.934 2.433 1.00 1.27 C ATOM 150 O HIS A 13 12.245 -9.656 1.729 1.00 1.32 O ATOM 151 CB HIS A 13 13.745 -10.147 4.535 1.00 1.57 C ATOM 152 CG HIS A 13 12.720 -9.411 5.337 1.00 1.44 C ATOM 153 ND1 HIS A 13 11.369 -9.557 5.137 1.00 1.26 N ATOM 154 CD2 HIS A 13 12.852 -8.558 6.371 1.00 1.78 C ATOM 155 CE1 HIS A 13 10.715 -8.825 6.015 1.00 1.21 C ATOM 156 NE2 HIS A 13 11.591 -8.206 6.783 1.00 1.66 N ATOM 0 H HIS A 13 15.305 -8.152 4.292 1.00 1.46 H new ATOM 0 HA HIS A 13 14.551 -10.324 2.576 1.00 1.48 H new ATOM 0 HB2 HIS A 13 13.371 -11.153 4.343 1.00 1.57 H new ATOM 0 HB3 HIS A 13 14.644 -10.252 5.143 1.00 1.57 H new ATOM 0 HD1 HIS A 13 10.939 -10.141 4.420 1.00 1.26 H new ATOM 0 HD2 HIS A 13 13.782 -8.213 6.799 1.00 1.78 H new ATOM 0 HE1 HIS A 13 9.641 -8.745 6.093 1.00 1.21 H new ATOM 165 N ALA A 14 12.734 -7.629 2.558 1.00 1.09 N ATOM 166 CA ALA A 14 11.681 -6.965 1.804 1.00 0.94 C ATOM 167 C ALA A 14 12.065 -6.891 0.329 1.00 1.00 C ATOM 168 O ALA A 14 11.241 -7.140 -0.555 1.00 1.04 O ATOM 169 CB ALA A 14 11.423 -5.574 2.361 1.00 0.84 C ATOM 0 H ALA A 14 13.272 -7.015 3.169 1.00 1.09 H new ATOM 0 HA ALA A 14 10.762 -7.544 1.898 1.00 0.94 H new ATOM 0 HB1 ALA A 14 10.633 -5.092 1.785 1.00 0.84 H new ATOM 0 HB2 ALA A 14 11.116 -5.651 3.404 1.00 0.84 H new ATOM 0 HB3 ALA A 14 12.335 -4.980 2.294 1.00 0.84 H new ATOM 175 N ALA A 15 13.330 -6.566 0.074 1.00 1.08 N ATOM 176 CA ALA A 15 13.857 -6.501 -1.282 1.00 1.19 C ATOM 177 C ALA A 15 13.912 -7.891 -1.908 1.00 1.37 C ATOM 178 O ALA A 15 13.707 -8.050 -3.112 1.00 1.46 O ATOM 179 CB ALA A 15 15.243 -5.871 -1.277 1.00 1.27 C ATOM 0 H ALA A 15 14.013 -6.342 0.798 1.00 1.08 H new ATOM 0 HA ALA A 15 13.189 -5.882 -1.881 1.00 1.19 H new ATOM 0 HB1 ALA A 15 15.627 -5.828 -2.296 1.00 1.27 H new ATOM 0 HB2 ALA A 15 15.183 -4.862 -0.869 1.00 1.27 H new ATOM 0 HB3 ALA A 15 15.913 -6.471 -0.662 1.00 1.27 H new ATOM 185 N SER A 16 14.182 -8.893 -1.081 1.00 1.47 N ATOM 186 CA SER A 16 14.228 -10.276 -1.534 1.00 1.68 C ATOM 187 C SER A 16 12.842 -10.729 -1.989 1.00 1.68 C ATOM 188 O SER A 16 12.708 -11.453 -2.972 1.00 1.89 O ATOM 189 CB SER A 16 14.745 -11.186 -0.414 1.00 1.83 C ATOM 190 OG SER A 16 15.124 -12.459 -0.916 1.00 2.28 O ATOM 0 H SER A 16 14.374 -8.771 -0.087 1.00 1.47 H new ATOM 0 HA SER A 16 14.912 -10.344 -2.380 1.00 1.68 H new ATOM 0 HB2 SER A 16 15.599 -10.716 0.074 1.00 1.83 H new ATOM 0 HB3 SER A 16 13.972 -11.308 0.345 1.00 1.83 H new ATOM 0 HG SER A 16 15.451 -13.017 -0.180 1.00 2.28 H new ATOM 196 N LEU A 17 11.809 -10.287 -1.274 1.00 1.47 N ATOM 197 CA LEU A 17 10.435 -10.600 -1.647 1.00 1.48 C ATOM 198 C LEU A 17 10.028 -9.781 -2.863 1.00 1.43 C ATOM 199 O LEU A 17 9.143 -10.171 -3.626 1.00 1.55 O ATOM 200 CB LEU A 17 9.485 -10.310 -0.485 1.00 1.34 C ATOM 201 CG LEU A 17 9.745 -11.109 0.795 1.00 1.42 C ATOM 202 CD1 LEU A 17 8.761 -10.700 1.878 1.00 1.31 C ATOM 203 CD2 LEU A 17 9.651 -12.605 0.523 1.00 1.65 C ATOM 0 H LEU A 17 11.899 -9.713 -0.436 1.00 1.47 H new ATOM 0 HA LEU A 17 10.375 -11.661 -1.891 1.00 1.48 H new ATOM 0 HB2 LEU A 17 9.543 -9.248 -0.247 1.00 1.34 H new ATOM 0 HB3 LEU A 17 8.465 -10.507 -0.815 1.00 1.34 H new ATOM 0 HG LEU A 17 10.755 -10.890 1.142 1.00 1.42 H new ATOM 0 HD11 LEU A 17 8.956 -11.275 2.783 1.00 1.31 H new ATOM 0 HD12 LEU A 17 8.876 -9.637 2.092 1.00 1.31 H new ATOM 0 HD13 LEU A 17 7.744 -10.894 1.537 1.00 1.31 H new ATOM 0 HD21 LEU A 17 9.839 -13.155 1.445 1.00 1.65 H new ATOM 0 HD22 LEU A 17 8.654 -12.846 0.154 1.00 1.65 H new ATOM 0 HD23 LEU A 17 10.393 -12.886 -0.225 1.00 1.65 H new ATOM 215 N GLY A 18 10.691 -8.651 -3.039 1.00 1.28 N ATOM 216 CA GLY A 18 10.416 -7.796 -4.172 1.00 1.27 C ATOM 217 C GLY A 18 9.285 -6.827 -3.904 1.00 1.15 C ATOM 218 O GLY A 18 8.537 -6.472 -4.815 1.00 1.27 O ATOM 0 H GLY A 18 11.420 -8.309 -2.413 1.00 1.28 H new ATOM 0 HA2 GLY A 18 11.316 -7.237 -4.429 1.00 1.27 H new ATOM 0 HA3 GLY A 18 10.166 -8.412 -5.036 1.00 1.27 H new ATOM 222 N VAL A 19 9.150 -6.404 -2.651 1.00 0.99 N ATOM 223 CA VAL A 19 8.171 -5.386 -2.305 1.00 0.89 C ATOM 224 C VAL A 19 8.635 -4.043 -2.860 1.00 0.86 C ATOM 225 O VAL A 19 9.807 -3.694 -2.736 1.00 0.84 O ATOM 226 CB VAL A 19 7.963 -5.269 -0.774 1.00 0.76 C ATOM 227 CG1 VAL A 19 6.879 -4.252 -0.452 1.00 0.74 C ATOM 228 CG2 VAL A 19 7.613 -6.616 -0.162 1.00 0.87 C ATOM 0 H VAL A 19 9.702 -6.749 -1.866 1.00 0.99 H new ATOM 0 HA VAL A 19 7.216 -5.676 -2.743 1.00 0.89 H new ATOM 0 HB VAL A 19 8.903 -4.929 -0.340 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.751 -4.187 0.628 1.00 0.74 H new ATOM 0 HG12 VAL A 19 7.168 -3.276 -0.842 1.00 0.74 H new ATOM 0 HG13 VAL A 19 5.940 -4.563 -0.911 1.00 0.74 H new ATOM 0 HG21 VAL A 19 7.473 -6.502 0.913 1.00 0.87 H new ATOM 0 HG22 VAL A 19 6.693 -6.991 -0.610 1.00 0.87 H new ATOM 0 HG23 VAL A 19 8.422 -7.322 -0.350 1.00 0.87 H new ATOM 238 N ARG A 20 7.735 -3.323 -3.512 1.00 0.95 N ATOM 239 CA ARG A 20 8.065 -2.033 -4.105 1.00 1.00 C ATOM 240 C ARG A 20 7.037 -0.987 -3.680 1.00 1.04 C ATOM 241 O ARG A 20 5.834 -1.249 -3.703 1.00 1.14 O ATOM 242 CB ARG A 20 8.062 -2.133 -5.631 1.00 1.23 C ATOM 243 CG ARG A 20 8.835 -3.317 -6.184 1.00 1.42 C ATOM 244 CD ARG A 20 8.662 -3.419 -7.688 1.00 1.62 C ATOM 245 NE ARG A 20 9.412 -4.535 -8.257 1.00 1.83 N ATOM 246 CZ ARG A 20 10.021 -4.490 -9.436 1.00 2.15 C ATOM 247 NH1 ARG A 20 9.910 -3.417 -10.209 1.00 2.44 N ATOM 248 NH2 ARG A 20 10.710 -5.537 -9.863 1.00 2.67 N ATOM 0 H ARG A 20 6.765 -3.611 -3.645 1.00 0.95 H new ATOM 0 HA ARG A 20 9.057 -1.741 -3.761 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.030 -2.195 -5.977 1.00 1.23 H new ATOM 0 HB3 ARG A 20 8.482 -1.216 -6.044 1.00 1.23 H new ATOM 0 HG2 ARG A 20 9.892 -3.212 -5.941 1.00 1.42 H new ATOM 0 HG3 ARG A 20 8.489 -4.236 -5.711 1.00 1.42 H new ATOM 0 HD2 ARG A 20 7.604 -3.538 -7.923 1.00 1.62 H new ATOM 0 HD3 ARG A 20 8.989 -2.489 -8.153 1.00 1.62 H new ATOM 0 HE ARG A 20 9.472 -5.399 -7.718 1.00 1.83 H new ATOM 0 HH11 ARG A 20 9.354 -2.620 -9.899 1.00 2.44 H new ATOM 0 HH12 ARG A 20 10.381 -3.389 -11.114 1.00 2.44 H new ATOM 0 HH21 ARG A 20 10.772 -6.376 -9.287 1.00 2.67 H new ATOM 0 HH22 ARG A 20 11.179 -5.504 -10.768 1.00 2.67 H new ATOM 262 N LEU A 21 7.507 0.182 -3.276 1.00 1.06 N ATOM 263 CA LEU A 21 6.624 1.299 -2.961 1.00 1.22 C ATOM 264 C LEU A 21 7.198 2.579 -3.539 1.00 1.41 C ATOM 265 O LEU A 21 8.358 2.897 -3.300 1.00 1.45 O ATOM 266 CB LEU A 21 6.432 1.476 -1.447 1.00 1.18 C ATOM 267 CG LEU A 21 5.624 0.390 -0.737 1.00 1.09 C ATOM 268 CD1 LEU A 21 6.510 -0.778 -0.338 1.00 0.89 C ATOM 269 CD2 LEU A 21 4.921 0.971 0.476 1.00 1.23 C ATOM 0 H LEU A 21 8.500 0.385 -3.157 1.00 1.06 H new ATOM 0 HA LEU A 21 5.651 1.080 -3.401 1.00 1.22 H new ATOM 0 HB2 LEU A 21 7.416 1.531 -0.981 1.00 1.18 H new ATOM 0 HB3 LEU A 21 5.944 2.435 -1.274 1.00 1.18 H new ATOM 0 HG LEU A 21 4.872 0.013 -1.430 1.00 1.09 H new ATOM 0 HD11 LEU A 21 5.909 -1.535 0.165 1.00 0.89 H new ATOM 0 HD12 LEU A 21 6.966 -1.210 -1.229 1.00 0.89 H new ATOM 0 HD13 LEU A 21 7.291 -0.428 0.337 1.00 0.89 H new ATOM 0 HD21 LEU A 21 4.348 0.189 0.974 1.00 1.23 H new ATOM 0 HD22 LEU A 21 5.661 1.375 1.167 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.248 1.768 0.159 1.00 1.23 H new ATOM 281 N TRP A 22 6.399 3.305 -4.303 1.00 1.61 N ATOM 282 CA TRP A 22 6.850 4.564 -4.877 1.00 1.82 C ATOM 283 C TRP A 22 5.692 5.547 -4.971 1.00 2.04 C ATOM 284 O TRP A 22 4.579 5.181 -5.344 1.00 2.09 O ATOM 285 CB TRP A 22 7.498 4.346 -6.258 1.00 1.87 C ATOM 286 CG TRP A 22 6.562 3.842 -7.320 1.00 1.96 C ATOM 287 CD1 TRP A 22 5.990 4.577 -8.319 1.00 2.19 C ATOM 288 CD2 TRP A 22 6.092 2.498 -7.493 1.00 1.86 C ATOM 289 NE1 TRP A 22 5.198 3.775 -9.104 1.00 2.26 N ATOM 290 CE2 TRP A 22 5.244 2.493 -8.616 1.00 2.06 C ATOM 291 CE3 TRP A 22 6.308 1.300 -6.806 1.00 1.64 C ATOM 292 CZ2 TRP A 22 4.609 1.335 -9.064 1.00 2.08 C ATOM 293 CZ3 TRP A 22 5.679 0.154 -7.251 1.00 1.66 C ATOM 294 CH2 TRP A 22 4.840 0.176 -8.370 1.00 1.88 C ATOM 0 H TRP A 22 5.441 3.048 -4.540 1.00 1.61 H new ATOM 0 HA TRP A 22 7.610 4.985 -4.219 1.00 1.82 H new ATOM 0 HB2 TRP A 22 7.932 5.288 -6.593 1.00 1.87 H new ATOM 0 HB3 TRP A 22 8.319 3.637 -6.151 1.00 1.87 H new ATOM 0 HD1 TRP A 22 6.139 5.636 -8.470 1.00 2.19 H new ATOM 0 HE1 TRP A 22 4.663 4.082 -9.917 1.00 2.26 H new ATOM 0 HE3 TRP A 22 6.956 1.271 -5.942 1.00 1.64 H new ATOM 0 HZ2 TRP A 22 3.959 1.351 -9.926 1.00 2.08 H new ATOM 0 HZ3 TRP A 22 5.838 -0.776 -6.726 1.00 1.66 H new ATOM 0 HH2 TRP A 22 4.365 -0.738 -8.693 1.00 1.88 H new ATOM 305 N VAL A 23 5.950 6.794 -4.612 1.00 2.21 N ATOM 306 CA VAL A 23 4.921 7.818 -4.664 1.00 2.44 C ATOM 307 C VAL A 23 4.744 8.322 -6.093 1.00 2.71 C ATOM 308 O VAL A 23 5.699 8.753 -6.739 1.00 2.81 O ATOM 309 CB VAL A 23 5.234 8.995 -3.707 1.00 2.66 C ATOM 310 CG1 VAL A 23 6.598 9.602 -4.001 1.00 2.85 C ATOM 311 CG2 VAL A 23 4.143 10.057 -3.781 1.00 2.92 C ATOM 0 H VAL A 23 6.859 7.120 -4.283 1.00 2.21 H new ATOM 0 HA VAL A 23 3.987 7.365 -4.331 1.00 2.44 H new ATOM 0 HB VAL A 23 5.259 8.599 -2.692 1.00 2.66 H new ATOM 0 HG11 VAL A 23 6.786 10.425 -3.312 1.00 2.85 H new ATOM 0 HG12 VAL A 23 7.369 8.842 -3.877 1.00 2.85 H new ATOM 0 HG13 VAL A 23 6.617 9.975 -5.025 1.00 2.85 H new ATOM 0 HG21 VAL A 23 4.384 10.874 -3.101 1.00 2.92 H new ATOM 0 HG22 VAL A 23 4.077 10.440 -4.799 1.00 2.92 H new ATOM 0 HG23 VAL A 23 3.187 9.617 -3.496 1.00 2.92 H new ATOM 321 N GLU A 24 3.517 8.235 -6.583 1.00 2.84 N ATOM 322 CA GLU A 24 3.196 8.669 -7.930 1.00 3.15 C ATOM 323 C GLU A 24 2.041 9.658 -7.885 1.00 3.47 C ATOM 324 O GLU A 24 0.887 9.276 -7.663 1.00 3.45 O ATOM 325 CB GLU A 24 2.830 7.463 -8.790 1.00 3.09 C ATOM 326 CG GLU A 24 2.546 7.791 -10.243 1.00 3.44 C ATOM 327 CD GLU A 24 2.034 6.590 -11.004 1.00 3.75 C ATOM 328 OE1 GLU A 24 2.851 5.732 -11.398 1.00 4.16 O ATOM 329 OE2 GLU A 24 0.803 6.492 -11.204 1.00 4.20 O ATOM 0 H GLU A 24 2.723 7.864 -6.061 1.00 2.84 H new ATOM 0 HA GLU A 24 4.064 9.159 -8.370 1.00 3.15 H new ATOM 0 HB2 GLU A 24 3.645 6.740 -8.746 1.00 3.09 H new ATOM 0 HB3 GLU A 24 1.952 6.980 -8.361 1.00 3.09 H new ATOM 0 HG2 GLU A 24 1.811 8.594 -10.297 1.00 3.44 H new ATOM 0 HG3 GLU A 24 3.456 8.159 -10.716 1.00 3.44 H new ATOM 336 N GLY A 25 2.361 10.924 -8.078 1.00 3.78 N ATOM 337 CA GLY A 25 1.358 11.958 -7.960 1.00 4.13 C ATOM 338 C GLY A 25 0.918 12.139 -6.524 1.00 4.12 C ATOM 339 O GLY A 25 1.705 12.566 -5.681 1.00 4.20 O ATOM 0 H GLY A 25 3.296 11.255 -8.314 1.00 3.78 H new ATOM 0 HA2 GLY A 25 1.756 12.898 -8.341 1.00 4.13 H new ATOM 0 HA3 GLY A 25 0.496 11.703 -8.577 1.00 4.13 H new ATOM 343 N GLU A 26 -0.325 11.785 -6.238 1.00 4.08 N ATOM 344 CA GLU A 26 -0.861 11.904 -4.891 1.00 4.12 C ATOM 345 C GLU A 26 -0.936 10.538 -4.215 1.00 3.62 C ATOM 346 O GLU A 26 -1.015 10.444 -2.988 1.00 3.64 O ATOM 347 CB GLU A 26 -2.252 12.541 -4.928 1.00 4.51 C ATOM 348 CG GLU A 26 -2.259 13.980 -5.416 1.00 5.05 C ATOM 349 CD GLU A 26 -1.624 14.941 -4.428 1.00 4.66 C ATOM 350 OE1 GLU A 26 -2.313 15.354 -3.473 1.00 5.15 O ATOM 351 OE2 GLU A 26 -0.432 15.282 -4.598 1.00 4.88 O ATOM 0 H GLU A 26 -0.983 11.412 -6.922 1.00 4.08 H new ATOM 0 HA GLU A 26 -0.191 12.541 -4.314 1.00 4.12 H new ATOM 0 HB2 GLU A 26 -2.896 11.945 -5.575 1.00 4.51 H new ATOM 0 HB3 GLU A 26 -2.684 12.505 -3.928 1.00 4.51 H new ATOM 0 HG2 GLU A 26 -1.727 14.039 -6.366 1.00 5.05 H new ATOM 0 HG3 GLU A 26 -3.287 14.289 -5.606 1.00 5.05 H new ATOM 358 N ARG A 27 -0.897 9.477 -5.016 1.00 3.25 N ATOM 359 CA ARG A 27 -1.081 8.128 -4.497 1.00 2.79 C ATOM 360 C ARG A 27 0.233 7.356 -4.480 1.00 2.64 C ATOM 361 O ARG A 27 0.937 7.262 -5.486 1.00 2.74 O ATOM 362 CB ARG A 27 -2.137 7.380 -5.325 1.00 2.61 C ATOM 363 CG ARG A 27 -2.612 6.065 -4.704 1.00 2.49 C ATOM 364 CD ARG A 27 -1.742 4.885 -5.096 1.00 3.08 C ATOM 365 NE ARG A 27 -2.123 3.666 -4.379 1.00 3.76 N ATOM 366 CZ ARG A 27 -1.980 2.429 -4.860 1.00 4.65 C ATOM 367 NH1 ARG A 27 -1.533 2.236 -6.098 1.00 5.01 N ATOM 368 NH2 ARG A 27 -2.292 1.383 -4.101 1.00 5.38 N ATOM 0 H ARG A 27 -0.740 9.526 -6.023 1.00 3.25 H new ATOM 0 HA ARG A 27 -1.431 8.207 -3.468 1.00 2.79 H new ATOM 0 HB2 ARG A 27 -2.998 8.032 -5.467 1.00 2.61 H new ATOM 0 HB3 ARG A 27 -1.727 7.174 -6.313 1.00 2.61 H new ATOM 0 HG2 ARG A 27 -2.618 6.162 -3.618 1.00 2.49 H new ATOM 0 HG3 ARG A 27 -3.639 5.872 -5.013 1.00 2.49 H new ATOM 0 HD2 ARG A 27 -1.822 4.715 -6.170 1.00 3.08 H new ATOM 0 HD3 ARG A 27 -0.698 5.118 -4.887 1.00 3.08 H new ATOM 0 HE ARG A 27 -2.526 3.769 -3.448 1.00 3.76 H new ATOM 0 HH11 ARG A 27 -1.297 3.036 -6.686 1.00 5.01 H new ATOM 0 HH12 ARG A 27 -1.426 1.288 -6.460 1.00 5.01 H new ATOM 0 HH21 ARG A 27 -2.640 1.526 -3.153 1.00 5.38 H new ATOM 0 HH22 ARG A 27 -2.183 0.437 -4.467 1.00 5.38 H new ATOM 382 N LEU A 28 0.558 6.810 -3.318 1.00 2.44 N ATOM 383 CA LEU A 28 1.719 5.951 -3.169 1.00 2.27 C ATOM 384 C LEU A 28 1.421 4.591 -3.788 1.00 2.10 C ATOM 385 O LEU A 28 0.553 3.865 -3.311 1.00 2.02 O ATOM 386 CB LEU A 28 2.071 5.812 -1.682 1.00 2.25 C ATOM 387 CG LEU A 28 3.371 5.063 -1.358 1.00 2.00 C ATOM 388 CD1 LEU A 28 3.899 5.495 0.001 1.00 2.23 C ATOM 389 CD2 LEU A 28 3.153 3.559 -1.369 1.00 2.15 C ATOM 0 H LEU A 28 0.027 6.950 -2.458 1.00 2.44 H new ATOM 0 HA LEU A 28 2.575 6.388 -3.683 1.00 2.27 H new ATOM 0 HB2 LEU A 28 2.135 6.811 -1.251 1.00 2.25 H new ATOM 0 HB3 LEU A 28 1.248 5.301 -1.182 1.00 2.25 H new ATOM 0 HG LEU A 28 4.103 5.311 -2.127 1.00 2.00 H new ATOM 0 HD11 LEU A 28 4.821 4.957 0.221 1.00 2.23 H new ATOM 0 HD12 LEU A 28 4.097 6.567 -0.010 1.00 2.23 H new ATOM 0 HD13 LEU A 28 3.157 5.271 0.768 1.00 2.23 H new ATOM 0 HD21 LEU A 28 4.090 3.054 -1.136 1.00 2.15 H new ATOM 0 HD22 LEU A 28 2.403 3.295 -0.623 1.00 2.15 H new ATOM 0 HD23 LEU A 28 2.809 3.248 -2.355 1.00 2.15 H new ATOM 401 N ARG A 29 2.132 4.259 -4.851 1.00 2.11 N ATOM 402 CA ARG A 29 1.897 3.014 -5.562 1.00 2.02 C ATOM 403 C ARG A 29 2.579 1.867 -4.830 1.00 1.76 C ATOM 404 O ARG A 29 3.701 2.010 -4.346 1.00 1.70 O ATOM 405 CB ARG A 29 2.419 3.100 -6.997 1.00 2.24 C ATOM 406 CG ARG A 29 2.019 4.367 -7.738 1.00 2.78 C ATOM 407 CD ARG A 29 0.514 4.514 -7.865 1.00 2.72 C ATOM 408 NE ARG A 29 -0.090 3.421 -8.632 1.00 3.29 N ATOM 409 CZ ARG A 29 -1.097 3.579 -9.500 1.00 3.54 C ATOM 410 NH1 ARG A 29 -1.599 4.783 -9.739 1.00 3.42 N ATOM 411 NH2 ARG A 29 -1.589 2.527 -10.146 1.00 4.22 N ATOM 0 H ARG A 29 2.878 4.835 -5.242 1.00 2.11 H new ATOM 0 HA ARG A 29 0.823 2.834 -5.598 1.00 2.02 H new ATOM 0 HB2 ARG A 29 3.507 3.032 -6.979 1.00 2.24 H new ATOM 0 HB3 ARG A 29 2.055 2.237 -7.555 1.00 2.24 H new ATOM 0 HG2 ARG A 29 2.423 5.233 -7.214 1.00 2.78 H new ATOM 0 HG3 ARG A 29 2.465 4.359 -8.732 1.00 2.78 H new ATOM 0 HD2 ARG A 29 0.069 4.546 -6.870 1.00 2.72 H new ATOM 0 HD3 ARG A 29 0.284 5.464 -8.348 1.00 2.72 H new ATOM 0 HE ARG A 29 0.280 2.480 -8.496 1.00 3.29 H new ATOM 0 HH11 ARG A 29 -1.218 5.599 -9.260 1.00 3.42 H new ATOM 0 HH12 ARG A 29 -2.366 4.893 -10.402 1.00 3.42 H new ATOM 0 HH21 ARG A 29 -1.199 1.599 -9.981 1.00 4.22 H new ATOM 0 HH22 ARG A 29 -2.356 2.648 -10.807 1.00 4.22 H new ATOM 425 N PHE A 30 1.898 0.736 -4.763 1.00 1.65 N ATOM 426 CA PHE A 30 2.379 -0.401 -4.001 1.00 1.43 C ATOM 427 C PHE A 30 2.466 -1.626 -4.904 1.00 1.49 C ATOM 428 O PHE A 30 1.537 -1.911 -5.661 1.00 1.69 O ATOM 429 CB PHE A 30 1.415 -0.675 -2.843 1.00 1.35 C ATOM 430 CG PHE A 30 2.048 -1.247 -1.595 1.00 1.14 C ATOM 431 CD1 PHE A 30 2.931 -2.319 -1.652 1.00 1.69 C ATOM 432 CD2 PHE A 30 1.743 -0.708 -0.354 1.00 1.50 C ATOM 433 CE1 PHE A 30 3.493 -2.833 -0.502 1.00 1.62 C ATOM 434 CE2 PHE A 30 2.301 -1.221 0.799 1.00 1.47 C ATOM 435 CZ PHE A 30 3.177 -2.287 0.727 1.00 0.99 C ATOM 0 H PHE A 30 1.005 0.581 -5.231 1.00 1.65 H new ATOM 0 HA PHE A 30 3.371 -0.183 -3.604 1.00 1.43 H new ATOM 0 HB2 PHE A 30 0.914 0.257 -2.581 1.00 1.35 H new ATOM 0 HB3 PHE A 30 0.645 -1.365 -3.189 1.00 1.35 H new ATOM 0 HD1 PHE A 30 3.180 -2.755 -2.608 1.00 1.69 H new ATOM 0 HD2 PHE A 30 1.059 0.125 -0.289 1.00 1.50 H new ATOM 0 HE1 PHE A 30 4.181 -3.663 -0.562 1.00 1.62 H new ATOM 0 HE2 PHE A 30 2.053 -0.789 1.757 1.00 1.47 H new ATOM 0 HZ PHE A 30 3.613 -2.692 1.628 1.00 0.99 H new ATOM 445 N GLN A 31 3.583 -2.326 -4.839 1.00 1.37 N ATOM 446 CA GLN A 31 3.764 -3.557 -5.594 1.00 1.46 C ATOM 447 C GLN A 31 4.205 -4.671 -4.655 1.00 1.31 C ATOM 448 O GLN A 31 5.287 -4.606 -4.069 1.00 1.14 O ATOM 449 CB GLN A 31 4.794 -3.348 -6.707 1.00 1.58 C ATOM 450 CG GLN A 31 5.025 -4.574 -7.579 1.00 1.74 C ATOM 451 CD GLN A 31 3.775 -5.023 -8.314 1.00 2.14 C ATOM 452 OE1 GLN A 31 2.903 -4.216 -8.635 1.00 2.68 O ATOM 453 NE2 GLN A 31 3.686 -6.315 -8.587 1.00 2.52 N ATOM 0 H GLN A 31 4.386 -2.063 -4.267 1.00 1.37 H new ATOM 0 HA GLN A 31 2.818 -3.840 -6.055 1.00 1.46 H new ATOM 0 HB2 GLN A 31 4.467 -2.522 -7.339 1.00 1.58 H new ATOM 0 HB3 GLN A 31 5.742 -3.051 -6.259 1.00 1.58 H new ATOM 0 HG2 GLN A 31 5.808 -4.354 -8.305 1.00 1.74 H new ATOM 0 HG3 GLN A 31 5.388 -5.392 -6.957 1.00 1.74 H new ATOM 0 HE21 GLN A 31 4.433 -6.949 -8.302 1.00 2.52 H new ATOM 0 HE22 GLN A 31 2.871 -6.677 -9.082 1.00 2.52 H new ATOM 462 N ALA A 32 3.359 -5.677 -4.499 1.00 1.43 N ATOM 463 CA ALA A 32 3.634 -6.778 -3.590 1.00 1.36 C ATOM 464 C ALA A 32 3.148 -8.096 -4.172 1.00 1.55 C ATOM 465 O ALA A 32 1.998 -8.210 -4.599 1.00 1.69 O ATOM 466 CB ALA A 32 2.971 -6.525 -2.247 1.00 1.25 C ATOM 0 H ALA A 32 2.470 -5.753 -4.994 1.00 1.43 H new ATOM 0 HA ALA A 32 4.713 -6.843 -3.449 1.00 1.36 H new ATOM 0 HB1 ALA A 32 3.183 -7.356 -1.574 1.00 1.25 H new ATOM 0 HB2 ALA A 32 3.360 -5.602 -1.818 1.00 1.25 H new ATOM 0 HB3 ALA A 32 1.893 -6.436 -2.384 1.00 1.25 H new ATOM 472 N PRO A 33 4.033 -9.101 -4.219 1.00 1.60 N ATOM 473 CA PRO A 33 3.677 -10.457 -4.647 1.00 1.79 C ATOM 474 C PRO A 33 2.603 -11.070 -3.748 1.00 1.78 C ATOM 475 O PRO A 33 2.435 -10.666 -2.592 1.00 1.62 O ATOM 476 CB PRO A 33 4.997 -11.234 -4.521 1.00 1.82 C ATOM 477 CG PRO A 33 6.058 -10.190 -4.550 1.00 1.84 C ATOM 478 CD PRO A 33 5.459 -8.989 -3.880 1.00 1.52 C ATOM 0 HA PRO A 33 3.259 -10.476 -5.654 1.00 1.79 H new ATOM 0 HB2 PRO A 33 5.032 -11.807 -3.595 1.00 1.82 H new ATOM 0 HB3 PRO A 33 5.118 -11.944 -5.340 1.00 1.82 H new ATOM 0 HG2 PRO A 33 6.953 -10.526 -4.026 1.00 1.84 H new ATOM 0 HG3 PRO A 33 6.355 -9.961 -5.573 1.00 1.84 H new ATOM 0 HD2 PRO A 33 5.620 -9.005 -2.802 1.00 1.52 H new ATOM 0 HD3 PRO A 33 5.891 -8.061 -4.253 1.00 1.52 H new ATOM 486 N PRO A 34 1.855 -12.048 -4.264 1.00 1.96 N ATOM 487 CA PRO A 34 0.769 -12.678 -3.515 1.00 1.97 C ATOM 488 C PRO A 34 1.274 -13.458 -2.304 1.00 1.88 C ATOM 489 O PRO A 34 2.124 -14.341 -2.426 1.00 1.95 O ATOM 490 CB PRO A 34 0.120 -13.621 -4.534 1.00 2.20 C ATOM 491 CG PRO A 34 1.160 -13.854 -5.576 1.00 2.31 C ATOM 492 CD PRO A 34 2.009 -12.613 -5.614 1.00 2.19 C ATOM 0 HA PRO A 34 0.079 -11.940 -3.107 1.00 1.97 H new ATOM 0 HB2 PRO A 34 -0.183 -14.557 -4.065 1.00 2.20 H new ATOM 0 HB3 PRO A 34 -0.776 -13.176 -4.966 1.00 2.20 H new ATOM 0 HG2 PRO A 34 1.763 -14.729 -5.334 1.00 2.31 H new ATOM 0 HG3 PRO A 34 0.702 -14.041 -6.547 1.00 2.31 H new ATOM 0 HD2 PRO A 34 3.051 -12.846 -5.835 1.00 2.19 H new ATOM 0 HD3 PRO A 34 1.669 -11.917 -6.381 1.00 2.19 H new ATOM 500 N GLY A 35 0.764 -13.106 -1.128 1.00 1.76 N ATOM 501 CA GLY A 35 1.094 -13.846 0.076 1.00 1.72 C ATOM 502 C GLY A 35 2.036 -13.100 1.003 1.00 1.60 C ATOM 503 O GLY A 35 1.887 -13.160 2.219 1.00 1.71 O ATOM 0 H GLY A 35 0.128 -12.321 -0.987 1.00 1.76 H new ATOM 0 HA2 GLY A 35 0.175 -14.078 0.614 1.00 1.72 H new ATOM 0 HA3 GLY A 35 1.548 -14.796 -0.204 1.00 1.72 H new ATOM 507 N VAL A 36 2.989 -12.372 0.434 1.00 1.46 N ATOM 508 CA VAL A 36 4.038 -11.724 1.227 1.00 1.34 C ATOM 509 C VAL A 36 3.541 -10.478 1.954 1.00 1.22 C ATOM 510 O VAL A 36 4.183 -9.998 2.880 1.00 1.22 O ATOM 511 CB VAL A 36 5.246 -11.337 0.355 1.00 1.31 C ATOM 512 CG1 VAL A 36 5.879 -12.578 -0.249 1.00 1.49 C ATOM 513 CG2 VAL A 36 4.838 -10.357 -0.730 1.00 1.25 C ATOM 0 H VAL A 36 3.061 -12.213 -0.571 1.00 1.46 H new ATOM 0 HA VAL A 36 4.340 -12.462 1.970 1.00 1.34 H new ATOM 0 HB VAL A 36 5.985 -10.846 0.989 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.732 -12.289 -0.863 1.00 1.49 H new ATOM 0 HG12 VAL A 36 6.214 -13.241 0.549 1.00 1.49 H new ATOM 0 HG13 VAL A 36 5.146 -13.096 -0.867 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.709 -10.099 -1.333 1.00 1.25 H new ATOM 0 HG22 VAL A 36 4.079 -10.813 -1.365 1.00 1.25 H new ATOM 0 HG23 VAL A 36 4.433 -9.455 -0.272 1.00 1.25 H new ATOM 523 N MET A 37 2.391 -9.976 1.540 1.00 1.18 N ATOM 524 CA MET A 37 1.850 -8.729 2.077 1.00 1.11 C ATOM 525 C MET A 37 1.069 -8.973 3.372 1.00 1.14 C ATOM 526 O MET A 37 0.180 -8.204 3.737 1.00 1.18 O ATOM 527 CB MET A 37 0.992 -8.023 1.018 1.00 1.19 C ATOM 528 CG MET A 37 0.575 -6.602 1.392 1.00 1.18 C ATOM 529 SD MET A 37 1.844 -5.699 2.316 1.00 1.41 S ATOM 530 CE MET A 37 3.286 -5.868 1.269 1.00 0.92 C ATOM 0 H MET A 37 1.806 -10.413 0.828 1.00 1.18 H new ATOM 0 HA MET A 37 2.682 -8.071 2.329 1.00 1.11 H new ATOM 0 HB2 MET A 37 1.546 -7.991 0.080 1.00 1.19 H new ATOM 0 HB3 MET A 37 0.096 -8.617 0.839 1.00 1.19 H new ATOM 0 HG2 MET A 37 0.337 -6.050 0.483 1.00 1.18 H new ATOM 0 HG3 MET A 37 -0.337 -6.644 1.988 1.00 1.18 H new ATOM 0 HE1 MET A 37 4.112 -5.297 1.692 1.00 0.92 H new ATOM 0 HE2 MET A 37 3.567 -6.919 1.204 1.00 0.92 H new ATOM 0 HE3 MET A 37 3.058 -5.491 0.272 1.00 0.92 H new ATOM 540 N THR A 38 1.382 -10.073 4.045 1.00 1.18 N ATOM 541 CA THR A 38 0.778 -10.379 5.331 1.00 1.27 C ATOM 542 C THR A 38 0.889 -9.178 6.271 1.00 1.26 C ATOM 543 O THR A 38 1.885 -8.452 6.244 1.00 1.16 O ATOM 544 CB THR A 38 1.458 -11.599 5.978 1.00 1.37 C ATOM 545 OG1 THR A 38 2.884 -11.458 5.913 1.00 1.35 O ATOM 546 CG2 THR A 38 1.037 -12.885 5.292 1.00 1.45 C ATOM 0 H THR A 38 2.053 -10.769 3.719 1.00 1.18 H new ATOM 0 HA THR A 38 -0.274 -10.609 5.161 1.00 1.27 H new ATOM 0 HB THR A 38 1.146 -11.648 7.021 1.00 1.37 H new ATOM 0 HG1 THR A 38 3.309 -12.237 6.328 1.00 1.35 H new ATOM 0 HG21 THR A 38 1.532 -13.731 5.769 1.00 1.45 H new ATOM 0 HG22 THR A 38 -0.043 -13.004 5.373 1.00 1.45 H new ATOM 0 HG23 THR A 38 1.319 -12.845 4.240 1.00 1.45 H new ATOM 554 N PRO A 39 -0.136 -8.945 7.106 1.00 1.41 N ATOM 555 CA PRO A 39 -0.163 -7.808 8.034 1.00 1.46 C ATOM 556 C PRO A 39 1.090 -7.737 8.906 1.00 1.43 C ATOM 557 O PRO A 39 1.515 -6.651 9.311 1.00 1.40 O ATOM 558 CB PRO A 39 -1.401 -8.073 8.891 1.00 1.69 C ATOM 559 CG PRO A 39 -2.278 -8.920 8.037 1.00 1.72 C ATOM 560 CD PRO A 39 -1.353 -9.767 7.208 1.00 1.56 C ATOM 0 HA PRO A 39 -0.193 -6.855 7.506 1.00 1.46 H new ATOM 0 HB2 PRO A 39 -1.139 -8.583 9.818 1.00 1.69 H new ATOM 0 HB3 PRO A 39 -1.897 -7.143 9.168 1.00 1.69 H new ATOM 0 HG2 PRO A 39 -2.935 -9.541 8.646 1.00 1.72 H new ATOM 0 HG3 PRO A 39 -2.918 -8.305 7.404 1.00 1.72 H new ATOM 0 HD2 PRO A 39 -1.151 -10.726 7.685 1.00 1.56 H new ATOM 0 HD3 PRO A 39 -1.776 -9.982 6.227 1.00 1.56 H new ATOM 568 N GLU A 40 1.676 -8.895 9.193 1.00 1.49 N ATOM 569 CA GLU A 40 2.927 -8.957 9.934 1.00 1.53 C ATOM 570 C GLU A 40 4.026 -8.218 9.172 1.00 1.32 C ATOM 571 O GLU A 40 4.728 -7.383 9.742 1.00 1.29 O ATOM 572 CB GLU A 40 3.335 -10.414 10.175 1.00 1.71 C ATOM 573 CG GLU A 40 4.632 -10.575 10.959 1.00 1.94 C ATOM 574 CD GLU A 40 4.546 -10.028 12.373 1.00 2.17 C ATOM 575 OE1 GLU A 40 4.646 -8.797 12.548 1.00 2.48 O ATOM 576 OE2 GLU A 40 4.401 -10.827 13.320 1.00 2.76 O ATOM 0 H GLU A 40 1.302 -9.804 8.922 1.00 1.49 H new ATOM 0 HA GLU A 40 2.784 -8.474 10.901 1.00 1.53 H new ATOM 0 HB2 GLU A 40 2.533 -10.921 10.712 1.00 1.71 H new ATOM 0 HB3 GLU A 40 3.440 -10.915 9.213 1.00 1.71 H new ATOM 0 HG2 GLU A 40 4.896 -11.632 11.000 1.00 1.94 H new ATOM 0 HG3 GLU A 40 5.436 -10.066 10.427 1.00 1.94 H new ATOM 583 N LEU A 41 4.138 -8.495 7.869 1.00 1.20 N ATOM 584 CA LEU A 41 5.159 -7.866 7.038 1.00 1.02 C ATOM 585 C LEU A 41 5.020 -6.359 7.074 1.00 0.89 C ATOM 586 O LEU A 41 5.993 -5.644 7.284 1.00 0.81 O ATOM 587 CB LEU A 41 5.060 -8.289 5.584 1.00 0.97 C ATOM 588 CG LEU A 41 6.213 -7.770 4.726 1.00 0.87 C ATOM 589 CD1 LEU A 41 7.321 -8.807 4.606 1.00 1.11 C ATOM 590 CD2 LEU A 41 5.710 -7.330 3.364 1.00 0.83 C ATOM 0 H LEU A 41 3.534 -9.149 7.372 1.00 1.20 H new ATOM 0 HA LEU A 41 6.118 -8.186 7.446 1.00 1.02 H new ATOM 0 HB2 LEU A 41 5.037 -9.377 5.530 1.00 0.97 H new ATOM 0 HB3 LEU A 41 4.118 -7.929 5.171 1.00 0.97 H new ATOM 0 HG LEU A 41 6.640 -6.898 5.221 1.00 0.87 H new ATOM 0 HD11 LEU A 41 8.127 -8.409 3.990 1.00 1.11 H new ATOM 0 HD12 LEU A 41 7.706 -9.045 5.598 1.00 1.11 H new ATOM 0 HD13 LEU A 41 6.925 -9.711 4.144 1.00 1.11 H new ATOM 0 HD21 LEU A 41 6.546 -6.964 2.768 1.00 0.83 H new ATOM 0 HD22 LEU A 41 5.246 -8.176 2.857 1.00 0.83 H new ATOM 0 HD23 LEU A 41 4.976 -6.534 3.487 1.00 0.83 H new ATOM 602 N GLN A 42 3.804 -5.884 6.852 1.00 0.95 N ATOM 603 CA GLN A 42 3.540 -4.456 6.834 1.00 0.95 C ATOM 604 C GLN A 42 3.888 -3.824 8.181 1.00 0.97 C ATOM 605 O GLN A 42 4.391 -2.700 8.243 1.00 0.97 O ATOM 606 CB GLN A 42 2.077 -4.194 6.472 1.00 1.13 C ATOM 607 CG GLN A 42 1.665 -2.732 6.581 1.00 1.33 C ATOM 608 CD GLN A 42 2.430 -1.801 5.649 1.00 1.41 C ATOM 609 OE1 GLN A 42 2.016 -1.535 4.523 1.00 2.06 O ATOM 610 NE2 GLN A 42 3.557 -1.294 6.119 1.00 1.57 N ATOM 0 H GLN A 42 2.985 -6.468 6.682 1.00 0.95 H new ATOM 0 HA GLN A 42 4.172 -3.996 6.074 1.00 0.95 H new ATOM 0 HB2 GLN A 42 1.899 -4.536 5.453 1.00 1.13 H new ATOM 0 HB3 GLN A 42 1.439 -4.790 7.125 1.00 1.13 H new ATOM 0 HG2 GLN A 42 0.600 -2.649 6.367 1.00 1.33 H new ATOM 0 HG3 GLN A 42 1.810 -2.400 7.609 1.00 1.33 H new ATOM 0 HE21 GLN A 42 3.872 -1.536 7.059 1.00 1.57 H new ATOM 0 HE22 GLN A 42 4.111 -0.661 5.542 1.00 1.57 H new ATOM 619 N SER A 43 3.639 -4.556 9.256 1.00 1.06 N ATOM 620 CA SER A 43 4.002 -4.092 10.586 1.00 1.12 C ATOM 621 C SER A 43 5.518 -3.966 10.700 1.00 1.02 C ATOM 622 O SER A 43 6.030 -3.106 11.413 1.00 1.08 O ATOM 623 CB SER A 43 3.467 -5.058 11.648 1.00 1.29 C ATOM 624 OG SER A 43 3.782 -4.615 12.959 1.00 1.57 O ATOM 0 H SER A 43 3.189 -5.471 9.234 1.00 1.06 H new ATOM 0 HA SER A 43 3.555 -3.112 10.752 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.386 -5.152 11.544 1.00 1.29 H new ATOM 0 HB3 SER A 43 3.890 -6.049 11.486 1.00 1.29 H new ATOM 0 HG SER A 43 3.426 -5.251 13.614 1.00 1.57 H new ATOM 630 N ARG A 44 6.228 -4.840 9.994 1.00 0.97 N ATOM 631 CA ARG A 44 7.683 -4.816 9.975 1.00 0.98 C ATOM 632 C ARG A 44 8.197 -3.726 9.037 1.00 0.90 C ATOM 633 O ARG A 44 9.171 -3.045 9.358 1.00 1.04 O ATOM 634 CB ARG A 44 8.223 -6.187 9.579 1.00 1.09 C ATOM 635 CG ARG A 44 7.663 -7.307 10.439 1.00 1.26 C ATOM 636 CD ARG A 44 8.008 -7.113 11.911 1.00 1.51 C ATOM 637 NE ARG A 44 7.221 -7.986 12.781 1.00 1.90 N ATOM 638 CZ ARG A 44 7.530 -8.256 14.047 1.00 2.59 C ATOM 639 NH1 ARG A 44 8.612 -7.719 14.612 1.00 3.00 N ATOM 640 NH2 ARG A 44 6.741 -9.050 14.757 1.00 3.34 N ATOM 0 H ARG A 44 5.814 -5.578 9.424 1.00 0.97 H new ATOM 0 HA ARG A 44 8.043 -4.582 10.977 1.00 0.98 H new ATOM 0 HB2 ARG A 44 7.981 -6.381 8.534 1.00 1.09 H new ATOM 0 HB3 ARG A 44 9.310 -6.182 9.659 1.00 1.09 H new ATOM 0 HG2 ARG A 44 6.580 -7.350 10.321 1.00 1.26 H new ATOM 0 HG3 ARG A 44 8.059 -8.263 10.095 1.00 1.26 H new ATOM 0 HD2 ARG A 44 9.069 -7.311 12.063 1.00 1.51 H new ATOM 0 HD3 ARG A 44 7.835 -6.073 12.189 1.00 1.51 H new ATOM 0 HE ARG A 44 6.381 -8.416 12.393 1.00 1.90 H new ATOM 0 HH11 ARG A 44 9.212 -7.095 14.073 1.00 3.00 H new ATOM 0 HH12 ARG A 44 8.840 -7.933 15.583 1.00 3.00 H new ATOM 0 HH21 ARG A 44 5.904 -9.449 14.332 1.00 3.34 H new ATOM 0 HH22 ARG A 44 6.971 -9.262 15.728 1.00 3.34 H new ATOM 654 N LEU A 45 7.540 -3.570 7.876 1.00 0.78 N ATOM 655 CA LEU A 45 7.821 -2.449 6.972 1.00 0.80 C ATOM 656 C LEU A 45 7.725 -1.143 7.756 1.00 1.06 C ATOM 657 O LEU A 45 8.479 -0.198 7.527 1.00 1.25 O ATOM 658 CB LEU A 45 6.825 -2.423 5.788 1.00 0.77 C ATOM 659 CG LEU A 45 6.901 -3.599 4.793 1.00 0.64 C ATOM 660 CD1 LEU A 45 5.702 -3.588 3.858 1.00 0.78 C ATOM 661 CD2 LEU A 45 8.162 -3.532 3.954 1.00 0.54 C ATOM 0 H LEU A 45 6.814 -4.205 7.545 1.00 0.78 H new ATOM 0 HA LEU A 45 8.825 -2.570 6.564 1.00 0.80 H new ATOM 0 HB2 LEU A 45 5.814 -2.386 6.194 1.00 0.77 H new ATOM 0 HB3 LEU A 45 6.980 -1.497 5.233 1.00 0.77 H new ATOM 0 HG LEU A 45 6.908 -4.516 5.382 1.00 0.64 H new ATOM 0 HD11 LEU A 45 5.774 -4.425 3.164 1.00 0.78 H new ATOM 0 HD12 LEU A 45 4.785 -3.678 4.441 1.00 0.78 H new ATOM 0 HD13 LEU A 45 5.686 -2.653 3.298 1.00 0.78 H new ATOM 0 HD21 LEU A 45 8.185 -4.375 3.263 1.00 0.54 H new ATOM 0 HD22 LEU A 45 8.174 -2.600 3.389 1.00 0.54 H new ATOM 0 HD23 LEU A 45 9.035 -3.573 4.605 1.00 0.54 H new ATOM 673 N GLY A 46 6.767 -1.104 8.677 1.00 1.20 N ATOM 674 CA GLY A 46 6.613 0.026 9.570 1.00 1.56 C ATOM 675 C GLY A 46 5.799 1.132 8.948 1.00 1.89 C ATOM 676 O GLY A 46 5.205 1.951 9.646 1.00 2.30 O ATOM 0 H GLY A 46 6.085 -1.849 8.820 1.00 1.20 H new ATOM 0 HA2 GLY A 46 6.133 -0.303 10.491 1.00 1.56 H new ATOM 0 HA3 GLY A 46 7.596 0.409 9.842 1.00 1.56 H new ATOM 680 N GLY A 47 5.762 1.142 7.622 1.00 1.84 N ATOM 681 CA GLY A 47 5.023 2.155 6.907 1.00 2.25 C ATOM 682 C GLY A 47 5.678 3.514 7.001 1.00 2.18 C ATOM 683 O GLY A 47 5.061 4.527 6.677 1.00 2.57 O ATOM 0 H GLY A 47 6.235 0.460 7.029 1.00 1.84 H new ATOM 0 HA2 GLY A 47 4.936 1.867 5.859 1.00 2.25 H new ATOM 0 HA3 GLY A 47 4.010 2.213 7.306 1.00 2.25 H new ATOM 687 N ALA A 48 6.930 3.536 7.443 1.00 1.86 N ATOM 688 CA ALA A 48 7.658 4.777 7.596 1.00 2.02 C ATOM 689 C ALA A 48 8.176 5.243 6.247 1.00 2.08 C ATOM 690 O ALA A 48 8.515 4.428 5.390 1.00 1.94 O ATOM 691 CB ALA A 48 8.804 4.581 8.576 1.00 1.99 C ATOM 0 H ALA A 48 7.458 2.702 7.701 1.00 1.86 H new ATOM 0 HA ALA A 48 6.991 5.543 7.990 1.00 2.02 H new ATOM 0 HB1 ALA A 48 9.350 5.517 8.689 1.00 1.99 H new ATOM 0 HB2 ALA A 48 8.407 4.274 9.543 1.00 1.99 H new ATOM 0 HB3 ALA A 48 9.477 3.811 8.199 1.00 1.99 H new ATOM 697 N ARG A 49 8.268 6.549 6.071 1.00 2.37 N ATOM 698 CA ARG A 49 8.658 7.105 4.788 1.00 2.47 C ATOM 699 C ARG A 49 10.125 6.829 4.475 1.00 2.33 C ATOM 700 O ARG A 49 10.436 6.306 3.414 1.00 2.17 O ATOM 701 CB ARG A 49 8.365 8.601 4.741 1.00 2.87 C ATOM 702 CG ARG A 49 9.021 9.391 5.856 1.00 3.30 C ATOM 703 CD ARG A 49 8.646 10.858 5.763 1.00 3.76 C ATOM 704 NE ARG A 49 9.128 11.452 4.516 1.00 4.15 N ATOM 705 CZ ARG A 49 10.025 12.437 4.451 1.00 4.69 C ATOM 706 NH1 ARG A 49 10.488 12.991 5.565 1.00 4.89 N ATOM 707 NH2 ARG A 49 10.446 12.875 3.267 1.00 5.36 N ATOM 0 H ARG A 49 8.079 7.241 6.796 1.00 2.37 H new ATOM 0 HA ARG A 49 8.064 6.610 4.020 1.00 2.47 H new ATOM 0 HB2 ARG A 49 8.701 8.997 3.782 1.00 2.87 H new ATOM 0 HB3 ARG A 49 7.286 8.752 4.788 1.00 2.87 H new ATOM 0 HG2 ARG A 49 8.712 8.992 6.822 1.00 3.30 H new ATOM 0 HG3 ARG A 49 10.104 9.282 5.797 1.00 3.30 H new ATOM 0 HD2 ARG A 49 7.563 10.963 5.823 1.00 3.76 H new ATOM 0 HD3 ARG A 49 9.066 11.398 6.612 1.00 3.76 H new ATOM 0 HE ARG A 49 8.754 11.089 3.639 1.00 4.15 H new ATOM 0 HH11 ARG A 49 10.158 12.664 6.473 1.00 4.89 H new ATOM 0 HH12 ARG A 49 11.174 13.744 5.513 1.00 4.89 H new ATOM 0 HH21 ARG A 49 10.083 12.458 2.410 1.00 5.36 H new ATOM 0 HH22 ARG A 49 11.132 13.628 3.216 1.00 5.36 H new ATOM 721 N HIS A 50 11.019 7.150 5.412 1.00 2.45 N ATOM 722 CA HIS A 50 12.459 6.935 5.212 1.00 2.44 C ATOM 723 C HIS A 50 12.743 5.473 4.902 1.00 2.06 C ATOM 724 O HIS A 50 13.620 5.151 4.102 1.00 1.95 O ATOM 725 CB HIS A 50 13.265 7.386 6.440 1.00 2.74 C ATOM 726 CG HIS A 50 12.681 6.945 7.748 1.00 2.77 C ATOM 727 ND1 HIS A 50 12.693 5.636 8.183 1.00 2.59 N ATOM 728 CD2 HIS A 50 12.002 7.642 8.689 1.00 2.99 C ATOM 729 CE1 HIS A 50 12.043 5.552 9.322 1.00 2.68 C ATOM 730 NE2 HIS A 50 11.617 6.752 9.653 1.00 2.91 N ATOM 0 H HIS A 50 10.776 7.558 6.314 1.00 2.45 H new ATOM 0 HA HIS A 50 12.771 7.541 4.362 1.00 2.44 H new ATOM 0 HB2 HIS A 50 14.280 6.998 6.358 1.00 2.74 H new ATOM 0 HB3 HIS A 50 13.338 8.474 6.435 1.00 2.74 H new ATOM 0 HD1 HIS A 50 13.136 4.856 7.697 1.00 2.59 H new ATOM 0 HD2 HIS A 50 11.802 8.703 8.680 1.00 2.99 H new ATOM 0 HE1 HIS A 50 11.885 4.648 9.892 1.00 2.68 H new ATOM 739 N GLU A 51 11.966 4.594 5.520 1.00 1.91 N ATOM 740 CA GLU A 51 12.108 3.170 5.305 1.00 1.65 C ATOM 741 C GLU A 51 11.749 2.817 3.885 1.00 1.36 C ATOM 742 O GLU A 51 12.496 2.135 3.183 1.00 1.19 O ATOM 743 CB GLU A 51 11.202 2.396 6.250 1.00 1.68 C ATOM 744 CG GLU A 51 11.976 1.511 7.187 1.00 1.72 C ATOM 745 CD GLU A 51 12.769 2.310 8.203 1.00 2.19 C ATOM 746 OE1 GLU A 51 13.685 3.060 7.798 1.00 2.75 O ATOM 747 OE2 GLU A 51 12.448 2.226 9.405 1.00 2.54 O ATOM 0 H GLU A 51 11.228 4.849 6.177 1.00 1.91 H new ATOM 0 HA GLU A 51 13.147 2.902 5.497 1.00 1.65 H new ATOM 0 HB2 GLU A 51 10.601 3.097 6.829 1.00 1.68 H new ATOM 0 HB3 GLU A 51 10.509 1.788 5.668 1.00 1.68 H new ATOM 0 HG2 GLU A 51 11.288 0.845 7.708 1.00 1.72 H new ATOM 0 HG3 GLU A 51 12.655 0.881 6.612 1.00 1.72 H new ATOM 754 N LEU A 52 10.602 3.300 3.467 1.00 1.41 N ATOM 755 CA LEU A 52 10.079 2.945 2.173 1.00 1.31 C ATOM 756 C LEU A 52 10.823 3.671 1.057 1.00 1.37 C ATOM 757 O LEU A 52 10.853 3.204 -0.076 1.00 1.27 O ATOM 758 CB LEU A 52 8.581 3.237 2.102 1.00 1.57 C ATOM 759 CG LEU A 52 7.729 2.488 3.128 1.00 1.56 C ATOM 760 CD1 LEU A 52 6.283 2.936 3.041 1.00 1.90 C ATOM 761 CD2 LEU A 52 7.833 0.984 2.922 1.00 1.33 C ATOM 0 H LEU A 52 10.016 3.939 4.005 1.00 1.41 H new ATOM 0 HA LEU A 52 10.231 1.875 2.032 1.00 1.31 H new ATOM 0 HB2 LEU A 52 8.428 4.308 2.237 1.00 1.57 H new ATOM 0 HB3 LEU A 52 8.224 2.987 1.103 1.00 1.57 H new ATOM 0 HG LEU A 52 8.107 2.722 4.123 1.00 1.56 H new ATOM 0 HD11 LEU A 52 5.689 2.394 3.777 1.00 1.90 H new ATOM 0 HD12 LEU A 52 6.221 4.006 3.241 1.00 1.90 H new ATOM 0 HD13 LEU A 52 5.898 2.731 2.042 1.00 1.90 H new ATOM 0 HD21 LEU A 52 7.219 0.472 3.663 1.00 1.33 H new ATOM 0 HD22 LEU A 52 7.483 0.729 1.922 1.00 1.33 H new ATOM 0 HD23 LEU A 52 8.872 0.672 3.034 1.00 1.33 H new ATOM 773 N ILE A 53 11.421 4.817 1.380 1.00 1.59 N ATOM 774 CA ILE A 53 12.249 5.538 0.422 1.00 1.69 C ATOM 775 C ILE A 53 13.460 4.695 0.048 1.00 1.43 C ATOM 776 O ILE A 53 13.816 4.594 -1.124 1.00 1.32 O ATOM 777 CB ILE A 53 12.710 6.913 0.965 1.00 2.06 C ATOM 778 CG1 ILE A 53 11.515 7.858 1.101 1.00 2.36 C ATOM 779 CG2 ILE A 53 13.766 7.523 0.049 1.00 2.17 C ATOM 780 CD1 ILE A 53 11.865 9.186 1.736 1.00 2.74 C ATOM 0 H ILE A 53 11.346 5.262 2.295 1.00 1.59 H new ATOM 0 HA ILE A 53 11.640 5.724 -0.463 1.00 1.69 H new ATOM 0 HB ILE A 53 13.152 6.765 1.950 1.00 2.06 H new ATOM 0 HG12 ILE A 53 11.089 8.037 0.114 1.00 2.36 H new ATOM 0 HG13 ILE A 53 10.743 7.371 1.697 1.00 2.36 H new ATOM 0 HG21 ILE A 53 14.078 8.489 0.446 1.00 2.17 H new ATOM 0 HG22 ILE A 53 14.628 6.858 -0.006 1.00 2.17 H new ATOM 0 HG23 ILE A 53 13.348 7.659 -0.948 1.00 2.17 H new ATOM 0 HD11 ILE A 53 10.970 9.805 1.801 1.00 2.74 H new ATOM 0 HD12 ILE A 53 12.263 9.017 2.737 1.00 2.74 H new ATOM 0 HD13 ILE A 53 12.614 9.693 1.129 1.00 2.74 H new ATOM 792 N ALA A 54 14.076 4.063 1.041 1.00 1.41 N ATOM 793 CA ALA A 54 15.186 3.155 0.788 1.00 1.31 C ATOM 794 C ALA A 54 14.702 1.940 0.000 1.00 1.00 C ATOM 795 O ALA A 54 15.416 1.401 -0.851 1.00 0.95 O ATOM 796 CB ALA A 54 15.824 2.723 2.099 1.00 1.50 C ATOM 0 H ALA A 54 13.826 4.163 2.025 1.00 1.41 H new ATOM 0 HA ALA A 54 15.938 3.675 0.195 1.00 1.31 H new ATOM 0 HB1 ALA A 54 16.652 2.045 1.894 1.00 1.50 H new ATOM 0 HB2 ALA A 54 16.196 3.600 2.629 1.00 1.50 H new ATOM 0 HB3 ALA A 54 15.082 2.214 2.715 1.00 1.50 H new ATOM 802 N LEU A 55 13.468 1.549 0.274 1.00 0.89 N ATOM 803 CA LEU A 55 12.846 0.404 -0.369 1.00 0.74 C ATOM 804 C LEU A 55 12.548 0.739 -1.832 1.00 0.70 C ATOM 805 O LEU A 55 12.596 -0.123 -2.706 1.00 0.73 O ATOM 806 CB LEU A 55 11.569 0.027 0.410 1.00 0.84 C ATOM 807 CG LEU A 55 10.840 -1.259 -0.009 1.00 0.76 C ATOM 808 CD1 LEU A 55 9.998 -1.027 -1.253 1.00 1.32 C ATOM 809 CD2 LEU A 55 11.829 -2.389 -0.244 1.00 1.01 C ATOM 0 H LEU A 55 12.868 2.019 0.951 1.00 0.89 H new ATOM 0 HA LEU A 55 13.516 -0.456 -0.359 1.00 0.74 H new ATOM 0 HB2 LEU A 55 11.831 -0.063 1.464 1.00 0.84 H new ATOM 0 HB3 LEU A 55 10.866 0.856 0.326 1.00 0.84 H new ATOM 0 HG LEU A 55 10.175 -1.545 0.806 1.00 0.76 H new ATOM 0 HD11 LEU A 55 9.493 -1.953 -1.528 1.00 1.32 H new ATOM 0 HD12 LEU A 55 9.256 -0.255 -1.051 1.00 1.32 H new ATOM 0 HD13 LEU A 55 10.641 -0.707 -2.073 1.00 1.32 H new ATOM 0 HD21 LEU A 55 11.290 -3.289 -0.540 1.00 1.01 H new ATOM 0 HD22 LEU A 55 12.524 -2.106 -1.035 1.00 1.01 H new ATOM 0 HD23 LEU A 55 12.384 -2.584 0.674 1.00 1.01 H new ATOM 821 N LEU A 56 12.262 2.003 -2.090 1.00 0.81 N ATOM 822 CA LEU A 56 12.040 2.488 -3.428 1.00 0.89 C ATOM 823 C LEU A 56 13.379 2.700 -4.128 1.00 0.83 C ATOM 824 O LEU A 56 13.520 2.435 -5.320 1.00 0.90 O ATOM 825 CB LEU A 56 11.248 3.789 -3.343 1.00 1.13 C ATOM 826 CG LEU A 56 11.552 4.809 -4.424 1.00 1.15 C ATOM 827 CD1 LEU A 56 11.065 4.327 -5.785 1.00 1.28 C ATOM 828 CD2 LEU A 56 10.938 6.155 -4.077 1.00 1.68 C ATOM 0 H LEU A 56 12.178 2.720 -1.369 1.00 0.81 H new ATOM 0 HA LEU A 56 11.472 1.762 -4.010 1.00 0.89 H new ATOM 0 HB2 LEU A 56 10.185 3.550 -3.381 1.00 1.13 H new ATOM 0 HB3 LEU A 56 11.437 4.247 -2.372 1.00 1.13 H new ATOM 0 HG LEU A 56 12.634 4.929 -4.480 1.00 1.15 H new ATOM 0 HD11 LEU A 56 11.296 5.078 -6.541 1.00 1.28 H new ATOM 0 HD12 LEU A 56 11.563 3.391 -6.039 1.00 1.28 H new ATOM 0 HD13 LEU A 56 9.987 4.167 -5.750 1.00 1.28 H new ATOM 0 HD21 LEU A 56 11.167 6.873 -4.864 1.00 1.68 H new ATOM 0 HD22 LEU A 56 9.857 6.049 -3.986 1.00 1.68 H new ATOM 0 HD23 LEU A 56 11.349 6.510 -3.132 1.00 1.68 H new ATOM 840 N ARG A 57 14.360 3.159 -3.356 1.00 0.82 N ATOM 841 CA ARG A 57 15.710 3.397 -3.854 1.00 0.88 C ATOM 842 C ARG A 57 16.292 2.140 -4.499 1.00 0.87 C ATOM 843 O ARG A 57 17.108 2.229 -5.413 1.00 0.98 O ATOM 844 CB ARG A 57 16.607 3.889 -2.713 1.00 1.09 C ATOM 845 CG ARG A 57 18.084 3.982 -3.063 1.00 1.53 C ATOM 846 CD ARG A 57 18.866 4.705 -1.978 1.00 1.95 C ATOM 847 NE ARG A 57 18.638 4.138 -0.648 1.00 2.59 N ATOM 848 CZ ARG A 57 19.324 4.489 0.444 1.00 3.23 C ATOM 849 NH1 ARG A 57 20.322 5.364 0.358 1.00 3.41 N ATOM 850 NH2 ARG A 57 19.013 3.960 1.623 1.00 4.07 N ATOM 0 H ARG A 57 14.240 3.376 -2.367 1.00 0.82 H new ATOM 0 HA ARG A 57 15.663 4.168 -4.623 1.00 0.88 H new ATOM 0 HB2 ARG A 57 16.260 4.872 -2.394 1.00 1.09 H new ATOM 0 HB3 ARG A 57 16.490 3.218 -1.862 1.00 1.09 H new ATOM 0 HG2 ARG A 57 18.491 2.980 -3.201 1.00 1.53 H new ATOM 0 HG3 ARG A 57 18.203 4.507 -4.011 1.00 1.53 H new ATOM 0 HD2 ARG A 57 19.930 4.660 -2.211 1.00 1.95 H new ATOM 0 HD3 ARG A 57 18.585 5.758 -1.973 1.00 1.95 H new ATOM 0 HE ARG A 57 17.910 3.431 -0.548 1.00 2.59 H new ATOM 0 HH11 ARG A 57 20.567 5.771 -0.545 1.00 3.41 H new ATOM 0 HH12 ARG A 57 20.842 5.628 1.195 1.00 3.41 H new ATOM 0 HH21 ARG A 57 18.251 3.286 1.694 1.00 4.07 H new ATOM 0 HH22 ARG A 57 19.537 4.228 2.456 1.00 4.07 H new ATOM 864 N GLN A 58 15.864 0.974 -4.020 1.00 0.86 N ATOM 865 CA GLN A 58 16.275 -0.294 -4.627 1.00 1.07 C ATOM 866 C GLN A 58 15.929 -0.331 -6.124 1.00 1.15 C ATOM 867 O GLN A 58 16.662 -0.913 -6.922 1.00 1.40 O ATOM 868 CB GLN A 58 15.631 -1.495 -3.912 1.00 1.15 C ATOM 869 CG GLN A 58 14.241 -1.863 -4.410 1.00 0.96 C ATOM 870 CD GLN A 58 13.823 -3.255 -3.977 1.00 1.15 C ATOM 871 OE1 GLN A 58 14.655 -4.150 -3.844 1.00 1.75 O ATOM 872 NE2 GLN A 58 12.534 -3.447 -3.742 1.00 0.91 N ATOM 0 H GLN A 58 15.238 0.879 -3.220 1.00 0.86 H new ATOM 0 HA GLN A 58 17.357 -0.366 -4.516 1.00 1.07 H new ATOM 0 HB2 GLN A 58 16.284 -2.361 -4.026 1.00 1.15 H new ATOM 0 HB3 GLN A 58 15.574 -1.277 -2.846 1.00 1.15 H new ATOM 0 HG2 GLN A 58 13.520 -1.137 -4.036 1.00 0.96 H new ATOM 0 HG3 GLN A 58 14.220 -1.802 -5.498 1.00 0.96 H new ATOM 0 HE21 GLN A 58 11.874 -2.679 -3.864 1.00 0.91 H new ATOM 0 HE22 GLN A 58 12.202 -4.363 -3.439 1.00 0.91 H new ATOM 881 N LEU A 59 14.811 0.296 -6.495 1.00 1.05 N ATOM 882 CA LEU A 59 14.365 0.319 -7.885 1.00 1.27 C ATOM 883 C LEU A 59 15.050 1.427 -8.685 1.00 1.30 C ATOM 884 O LEU A 59 14.865 1.533 -9.898 1.00 1.61 O ATOM 885 CB LEU A 59 12.852 0.516 -7.944 1.00 1.40 C ATOM 886 CG LEU A 59 12.030 -0.524 -7.187 1.00 1.61 C ATOM 887 CD1 LEU A 59 10.553 -0.171 -7.246 1.00 1.94 C ATOM 888 CD2 LEU A 59 12.272 -1.916 -7.755 1.00 2.47 C ATOM 0 H LEU A 59 14.199 0.795 -5.849 1.00 1.05 H new ATOM 0 HA LEU A 59 14.636 -0.638 -8.331 1.00 1.27 H new ATOM 0 HB2 LEU A 59 12.615 1.503 -7.546 1.00 1.40 H new ATOM 0 HB3 LEU A 59 12.542 0.510 -8.989 1.00 1.40 H new ATOM 0 HG LEU A 59 12.345 -0.523 -6.144 1.00 1.61 H new ATOM 0 HD11 LEU A 59 9.978 -0.920 -6.702 1.00 1.94 H new ATOM 0 HD12 LEU A 59 10.394 0.807 -6.793 1.00 1.94 H new ATOM 0 HD13 LEU A 59 10.226 -0.146 -8.286 1.00 1.94 H new ATOM 0 HD21 LEU A 59 11.677 -2.643 -7.202 1.00 2.47 H new ATOM 0 HD22 LEU A 59 11.984 -1.935 -8.806 1.00 2.47 H new ATOM 0 HD23 LEU A 59 13.329 -2.167 -7.664 1.00 2.47 H new ATOM 900 N GLN A 60 15.834 2.253 -8.009 1.00 1.09 N ATOM 901 CA GLN A 60 16.500 3.371 -8.664 1.00 1.19 C ATOM 902 C GLN A 60 17.874 2.943 -9.179 1.00 1.31 C ATOM 903 O GLN A 60 18.685 2.415 -8.417 1.00 1.42 O ATOM 904 CB GLN A 60 16.642 4.552 -7.701 1.00 1.31 C ATOM 905 CG GLN A 60 15.312 5.111 -7.222 1.00 1.43 C ATOM 906 CD GLN A 60 15.480 6.279 -6.274 1.00 1.79 C ATOM 907 OE1 GLN A 60 16.464 6.362 -5.541 1.00 2.58 O ATOM 908 NE2 GLN A 60 14.519 7.187 -6.277 1.00 1.95 N ATOM 0 H GLN A 60 16.025 2.172 -7.010 1.00 1.09 H new ATOM 0 HA GLN A 60 15.890 3.686 -9.511 1.00 1.19 H new ATOM 0 HB2 GLN A 60 17.226 4.237 -6.837 1.00 1.31 H new ATOM 0 HB3 GLN A 60 17.204 5.346 -8.193 1.00 1.31 H new ATOM 0 HG2 GLN A 60 14.724 5.428 -8.083 1.00 1.43 H new ATOM 0 HG3 GLN A 60 14.748 4.322 -6.724 1.00 1.43 H new ATOM 0 HE21 GLN A 60 13.719 7.081 -6.901 1.00 1.95 H new ATOM 0 HE22 GLN A 60 14.578 7.994 -5.656 1.00 1.95 H new ATOM 1254 N GLY B 8 -19.495 0.168 -8.403 1.00 4.66 N ATOM 1255 CA GLY B 8 -20.016 -0.261 -7.118 1.00 4.09 C ATOM 1256 C GLY B 8 -19.509 -1.629 -6.701 1.00 4.04 C ATOM 1257 O GLY B 8 -19.156 -1.836 -5.540 1.00 3.54 O ATOM 0 HA2 GLY B 8 -19.741 0.470 -6.358 1.00 4.09 H new ATOM 0 HA3 GLY B 8 -21.105 -0.281 -7.162 1.00 4.09 H new ATOM 1261 N ALA B 9 -19.456 -2.557 -7.650 1.00 4.69 N ATOM 1262 CA ALA B 9 -18.989 -3.910 -7.369 1.00 4.91 C ATOM 1263 C ALA B 9 -17.530 -3.899 -6.932 1.00 4.50 C ATOM 1264 O ALA B 9 -17.140 -4.629 -6.020 1.00 4.40 O ATOM 1265 CB ALA B 9 -19.171 -4.802 -8.587 1.00 5.78 C ATOM 0 H ALA B 9 -19.730 -2.398 -8.619 1.00 4.69 H new ATOM 0 HA ALA B 9 -19.588 -4.313 -6.552 1.00 4.91 H new ATOM 0 HB1 ALA B 9 -18.817 -5.807 -8.358 1.00 5.78 H new ATOM 0 HB2 ALA B 9 -20.227 -4.841 -8.855 1.00 5.78 H new ATOM 0 HB3 ALA B 9 -18.600 -4.398 -9.423 1.00 5.78 H new ATOM 1271 N LEU B 10 -16.733 -3.047 -7.575 1.00 4.38 N ATOM 1272 CA LEU B 10 -15.318 -2.918 -7.250 1.00 3.97 C ATOM 1273 C LEU B 10 -15.142 -2.472 -5.804 1.00 3.17 C ATOM 1274 O LEU B 10 -14.370 -3.069 -5.047 1.00 2.96 O ATOM 1275 CB LEU B 10 -14.648 -1.915 -8.194 1.00 4.13 C ATOM 1276 CG LEU B 10 -13.190 -1.576 -7.866 1.00 3.77 C ATOM 1277 CD1 LEU B 10 -12.299 -2.798 -8.021 1.00 3.68 C ATOM 1278 CD2 LEU B 10 -12.699 -0.438 -8.746 1.00 4.12 C ATOM 0 H LEU B 10 -17.047 -2.434 -8.327 1.00 4.38 H new ATOM 0 HA LEU B 10 -14.844 -3.892 -7.375 1.00 3.97 H new ATOM 0 HB2 LEU B 10 -14.692 -2.312 -9.208 1.00 4.13 H new ATOM 0 HB3 LEU B 10 -15.228 -0.992 -8.187 1.00 4.13 H new ATOM 0 HG LEU B 10 -13.141 -1.255 -6.826 1.00 3.77 H new ATOM 0 HD11 LEU B 10 -11.270 -2.530 -7.782 1.00 3.68 H new ATOM 0 HD12 LEU B 10 -12.636 -3.583 -7.344 1.00 3.68 H new ATOM 0 HD13 LEU B 10 -12.351 -3.159 -9.048 1.00 3.68 H new ATOM 0 HD21 LEU B 10 -11.662 -0.210 -8.500 1.00 4.12 H new ATOM 0 HD22 LEU B 10 -12.768 -0.732 -9.793 1.00 4.12 H new ATOM 0 HD23 LEU B 10 -13.315 0.445 -8.576 1.00 4.12 H new ATOM 1290 N LEU B 11 -15.893 -1.451 -5.422 1.00 2.86 N ATOM 1291 CA LEU B 11 -15.857 -0.935 -4.063 1.00 2.18 C ATOM 1292 C LEU B 11 -16.377 -1.995 -3.098 1.00 2.26 C ATOM 1293 O LEU B 11 -15.783 -2.242 -2.048 1.00 2.13 O ATOM 1294 CB LEU B 11 -16.690 0.360 -3.986 1.00 2.17 C ATOM 1295 CG LEU B 11 -16.625 1.154 -2.667 1.00 1.84 C ATOM 1296 CD1 LEU B 11 -17.532 0.545 -1.608 1.00 1.83 C ATOM 1297 CD2 LEU B 11 -15.190 1.237 -2.160 1.00 1.71 C ATOM 0 H LEU B 11 -16.540 -0.960 -6.040 1.00 2.86 H new ATOM 0 HA LEU B 11 -14.832 -0.697 -3.778 1.00 2.18 H new ATOM 0 HB2 LEU B 11 -16.370 1.018 -4.794 1.00 2.17 H new ATOM 0 HB3 LEU B 11 -17.732 0.105 -4.177 1.00 2.17 H new ATOM 0 HG LEU B 11 -16.981 2.164 -2.870 1.00 1.84 H new ATOM 0 HD11 LEU B 11 -17.463 1.129 -0.690 1.00 1.83 H new ATOM 0 HD12 LEU B 11 -18.562 0.550 -1.964 1.00 1.83 H new ATOM 0 HD13 LEU B 11 -17.222 -0.481 -1.410 1.00 1.83 H new ATOM 0 HD21 LEU B 11 -15.166 1.802 -1.228 1.00 1.71 H new ATOM 0 HD22 LEU B 11 -14.807 0.232 -1.985 1.00 1.71 H new ATOM 0 HD23 LEU B 11 -14.570 1.737 -2.904 1.00 1.71 H new ATOM 1309 N ALA B 12 -17.465 -2.647 -3.488 1.00 2.76 N ATOM 1310 CA ALA B 12 -18.113 -3.643 -2.647 1.00 3.14 C ATOM 1311 C ALA B 12 -17.187 -4.810 -2.312 1.00 3.58 C ATOM 1312 O ALA B 12 -17.035 -5.162 -1.142 1.00 3.74 O ATOM 1313 CB ALA B 12 -19.379 -4.151 -3.314 1.00 3.68 C ATOM 0 H ALA B 12 -17.920 -2.501 -4.389 1.00 2.76 H new ATOM 0 HA ALA B 12 -18.370 -3.154 -1.707 1.00 3.14 H new ATOM 0 HB1 ALA B 12 -19.854 -4.895 -2.675 1.00 3.68 H new ATOM 0 HB2 ALA B 12 -20.065 -3.319 -3.474 1.00 3.68 H new ATOM 0 HB3 ALA B 12 -19.128 -4.604 -4.273 1.00 3.68 H new ATOM 1319 N HIS B 13 -16.565 -5.417 -3.321 1.00 3.94 N ATOM 1320 CA HIS B 13 -15.734 -6.593 -3.075 1.00 4.46 C ATOM 1321 C HIS B 13 -14.429 -6.204 -2.380 1.00 4.06 C ATOM 1322 O HIS B 13 -13.867 -6.995 -1.629 1.00 4.48 O ATOM 1323 CB HIS B 13 -15.469 -7.410 -4.359 1.00 5.05 C ATOM 1324 CG HIS B 13 -14.416 -6.863 -5.281 1.00 4.87 C ATOM 1325 ND1 HIS B 13 -13.087 -7.216 -5.202 1.00 4.94 N ATOM 1326 CD2 HIS B 13 -14.511 -6.019 -6.331 1.00 4.82 C ATOM 1327 CE1 HIS B 13 -12.416 -6.611 -6.162 1.00 4.81 C ATOM 1328 NE2 HIS B 13 -13.255 -5.879 -6.865 1.00 4.82 N ATOM 0 H HIS B 13 -16.618 -5.122 -4.296 1.00 3.94 H new ATOM 0 HA HIS B 13 -16.295 -7.245 -2.405 1.00 4.46 H new ATOM 0 HB2 HIS B 13 -15.181 -8.421 -4.070 1.00 5.05 H new ATOM 0 HB3 HIS B 13 -16.404 -7.491 -4.914 1.00 5.05 H new ATOM 0 HD1 HIS B 13 -12.685 -7.847 -4.509 1.00 4.94 H new ATOM 0 HD2 HIS B 13 -15.412 -5.541 -6.686 1.00 4.82 H new ATOM 0 HE1 HIS B 13 -11.355 -6.701 -6.342 1.00 4.81 H new ATOM 1337 N ALA B 14 -13.960 -4.980 -2.609 1.00 3.33 N ATOM 1338 CA ALA B 14 -12.770 -4.490 -1.922 1.00 2.95 C ATOM 1339 C ALA B 14 -13.068 -4.287 -0.440 1.00 2.97 C ATOM 1340 O ALA B 14 -12.276 -4.662 0.428 1.00 3.30 O ATOM 1341 CB ALA B 14 -12.282 -3.195 -2.553 1.00 2.26 C ATOM 0 H ALA B 14 -14.381 -4.316 -3.258 1.00 3.33 H new ATOM 0 HA ALA B 14 -11.979 -5.233 -2.020 1.00 2.95 H new ATOM 0 HB1 ALA B 14 -11.394 -2.846 -2.026 1.00 2.26 H new ATOM 0 HB2 ALA B 14 -12.037 -3.370 -3.601 1.00 2.26 H new ATOM 0 HB3 ALA B 14 -13.065 -2.439 -2.485 1.00 2.26 H new ATOM 1347 N ALA B 15 -14.231 -3.703 -0.165 1.00 2.80 N ATOM 1348 CA ALA B 15 -14.691 -3.496 1.201 1.00 3.07 C ATOM 1349 C ALA B 15 -14.988 -4.828 1.880 1.00 3.91 C ATOM 1350 O ALA B 15 -14.780 -4.981 3.082 1.00 4.37 O ATOM 1351 CB ALA B 15 -15.927 -2.610 1.205 1.00 2.79 C ATOM 0 H ALA B 15 -14.876 -3.363 -0.879 1.00 2.80 H new ATOM 0 HA ALA B 15 -13.899 -3.000 1.762 1.00 3.07 H new ATOM 0 HB1 ALA B 15 -16.264 -2.460 2.231 1.00 2.79 H new ATOM 0 HB2 ALA B 15 -15.685 -1.646 0.758 1.00 2.79 H new ATOM 0 HB3 ALA B 15 -16.719 -3.088 0.629 1.00 2.79 H new ATOM 1357 N SER B 16 -15.465 -5.788 1.097 1.00 4.22 N ATOM 1358 CA SER B 16 -15.779 -7.116 1.605 1.00 5.05 C ATOM 1359 C SER B 16 -14.499 -7.841 2.022 1.00 5.46 C ATOM 1360 O SER B 16 -14.494 -8.611 2.984 1.00 6.10 O ATOM 1361 CB SER B 16 -16.526 -7.924 0.539 1.00 5.36 C ATOM 1362 OG SER B 16 -17.198 -9.037 1.106 1.00 5.53 O ATOM 0 H SER B 16 -15.644 -5.669 0.100 1.00 4.22 H new ATOM 0 HA SER B 16 -16.420 -7.014 2.481 1.00 5.05 H new ATOM 0 HB2 SER B 16 -17.247 -7.282 0.033 1.00 5.36 H new ATOM 0 HB3 SER B 16 -15.821 -8.270 -0.217 1.00 5.36 H new ATOM 0 HG SER B 16 -17.666 -9.531 0.401 1.00 5.53 H new ATOM 1368 N LEU B 17 -13.414 -7.588 1.296 1.00 5.11 N ATOM 1369 CA LEU B 17 -12.122 -8.176 1.632 1.00 5.45 C ATOM 1370 C LEU B 17 -11.512 -7.467 2.830 1.00 5.30 C ATOM 1371 O LEU B 17 -10.694 -8.036 3.546 1.00 5.77 O ATOM 1372 CB LEU B 17 -11.160 -8.093 0.446 1.00 5.21 C ATOM 1373 CG LEU B 17 -11.575 -8.886 -0.789 1.00 5.62 C ATOM 1374 CD1 LEU B 17 -10.538 -8.719 -1.882 1.00 5.51 C ATOM 1375 CD2 LEU B 17 -11.761 -10.357 -0.449 1.00 6.49 C ATOM 0 H LEU B 17 -13.404 -6.983 0.475 1.00 5.11 H new ATOM 0 HA LEU B 17 -12.286 -9.225 1.879 1.00 5.45 H new ATOM 0 HB2 LEU B 17 -11.047 -7.046 0.164 1.00 5.21 H new ATOM 0 HB3 LEU B 17 -10.180 -8.443 0.770 1.00 5.21 H new ATOM 0 HG LEU B 17 -12.530 -8.500 -1.146 1.00 5.62 H new ATOM 0 HD11 LEU B 17 -10.841 -9.288 -2.761 1.00 5.51 H new ATOM 0 HD12 LEU B 17 -10.452 -7.664 -2.144 1.00 5.51 H new ATOM 0 HD13 LEU B 17 -9.574 -9.084 -1.528 1.00 5.51 H new ATOM 0 HD21 LEU B 17 -12.057 -10.903 -1.345 1.00 6.49 H new ATOM 0 HD22 LEU B 17 -10.824 -10.764 -0.069 1.00 6.49 H new ATOM 0 HD23 LEU B 17 -12.536 -10.460 0.311 1.00 6.49 H new ATOM 1387 N GLY B 18 -11.919 -6.222 3.040 1.00 4.72 N ATOM 1388 CA GLY B 18 -11.413 -5.456 4.159 1.00 4.73 C ATOM 1389 C GLY B 18 -10.152 -4.697 3.814 1.00 4.26 C ATOM 1390 O GLY B 18 -9.314 -4.447 4.682 1.00 4.55 O ATOM 0 H GLY B 18 -12.592 -5.729 2.453 1.00 4.72 H new ATOM 0 HA2 GLY B 18 -12.178 -4.753 4.490 1.00 4.73 H new ATOM 0 HA3 GLY B 18 -11.213 -6.127 4.994 1.00 4.73 H new ATOM 1394 N VAL B 19 -10.009 -4.340 2.543 1.00 3.60 N ATOM 1395 CA VAL B 19 -8.865 -3.560 2.092 1.00 3.07 C ATOM 1396 C VAL B 19 -8.998 -2.125 2.594 1.00 2.71 C ATOM 1397 O VAL B 19 -10.069 -1.529 2.503 1.00 2.39 O ATOM 1398 CB VAL B 19 -8.745 -3.561 0.549 1.00 2.62 C ATOM 1399 CG1 VAL B 19 -7.498 -2.814 0.100 1.00 2.10 C ATOM 1400 CG2 VAL B 19 -8.736 -4.988 0.015 1.00 3.34 C ATOM 0 H VAL B 19 -10.673 -4.579 1.806 1.00 3.60 H new ATOM 0 HA VAL B 19 -7.963 -4.018 2.498 1.00 3.07 H new ATOM 0 HB VAL B 19 -9.614 -3.044 0.141 1.00 2.62 H new ATOM 0 HG11 VAL B 19 -7.437 -2.829 -0.988 1.00 2.10 H new ATOM 0 HG12 VAL B 19 -7.548 -1.782 0.446 1.00 2.10 H new ATOM 0 HG13 VAL B 19 -6.615 -3.295 0.520 1.00 2.10 H new ATOM 0 HG21 VAL B 19 -8.651 -4.969 -1.072 1.00 3.34 H new ATOM 0 HG22 VAL B 19 -7.888 -5.529 0.436 1.00 3.34 H new ATOM 0 HG23 VAL B 19 -9.662 -5.488 0.298 1.00 3.34 H new ATOM 1410 N ARG B 20 -7.925 -1.588 3.157 1.00 2.95 N ATOM 1411 CA ARG B 20 -7.948 -0.240 3.711 1.00 3.09 C ATOM 1412 C ARG B 20 -6.764 0.580 3.203 1.00 2.88 C ATOM 1413 O ARG B 20 -5.627 0.105 3.201 1.00 2.99 O ATOM 1414 CB ARG B 20 -7.909 -0.294 5.238 1.00 3.99 C ATOM 1415 CG ARG B 20 -8.986 -1.171 5.855 1.00 4.33 C ATOM 1416 CD ARG B 20 -8.870 -1.203 7.368 1.00 5.13 C ATOM 1417 NE ARG B 20 -9.879 -2.071 7.971 1.00 5.49 N ATOM 1418 CZ ARG B 20 -10.335 -1.931 9.213 1.00 6.26 C ATOM 1419 NH1 ARG B 20 -9.893 -0.942 9.978 1.00 6.80 N ATOM 1420 NH2 ARG B 20 -11.244 -2.773 9.688 1.00 6.67 N ATOM 0 H ARG B 20 -7.027 -2.064 3.243 1.00 2.95 H new ATOM 0 HA ARG B 20 -8.872 0.239 3.387 1.00 3.09 H new ATOM 0 HB2 ARG B 20 -6.932 -0.661 5.553 1.00 3.99 H new ATOM 0 HB3 ARG B 20 -8.011 0.718 5.630 1.00 3.99 H new ATOM 0 HG2 ARG B 20 -9.970 -0.797 5.571 1.00 4.33 H new ATOM 0 HG3 ARG B 20 -8.904 -2.184 5.460 1.00 4.33 H new ATOM 0 HD2 ARG B 20 -7.876 -1.551 7.649 1.00 5.13 H new ATOM 0 HD3 ARG B 20 -8.977 -0.192 7.762 1.00 5.13 H new ATOM 0 HE ARG B 20 -10.257 -2.831 7.405 1.00 5.49 H new ATOM 0 HH11 ARG B 20 -9.202 -0.286 9.615 1.00 6.80 H new ATOM 0 HH12 ARG B 20 -10.245 -0.837 10.930 1.00 6.80 H new ATOM 0 HH21 ARG B 20 -11.595 -3.530 9.101 1.00 6.67 H new ATOM 0 HH22 ARG B 20 -11.592 -2.664 10.641 1.00 6.67 H new ATOM 1434 N LEU B 21 -7.037 1.803 2.762 1.00 2.77 N ATOM 1435 CA LEU B 21 -5.990 2.735 2.362 1.00 2.92 C ATOM 1436 C LEU B 21 -6.311 4.126 2.883 1.00 3.68 C ATOM 1437 O LEU B 21 -7.407 4.638 2.662 1.00 3.80 O ATOM 1438 CB LEU B 21 -5.832 2.796 0.837 1.00 2.28 C ATOM 1439 CG LEU B 21 -5.199 1.568 0.179 1.00 1.58 C ATOM 1440 CD1 LEU B 21 -6.252 0.528 -0.158 1.00 1.07 C ATOM 1441 CD2 LEU B 21 -4.432 1.974 -1.069 1.00 1.46 C ATOM 0 H LEU B 21 -7.983 2.174 2.672 1.00 2.77 H new ATOM 0 HA LEU B 21 -5.053 2.377 2.789 1.00 2.92 H new ATOM 0 HB2 LEU B 21 -6.816 2.953 0.396 1.00 2.28 H new ATOM 0 HB3 LEU B 21 -5.228 3.669 0.589 1.00 2.28 H new ATOM 0 HG LEU B 21 -4.501 1.123 0.889 1.00 1.58 H new ATOM 0 HD11 LEU B 21 -5.776 -0.334 -0.624 1.00 1.07 H new ATOM 0 HD12 LEU B 21 -6.758 0.213 0.755 1.00 1.07 H new ATOM 0 HD13 LEU B 21 -6.980 0.957 -0.847 1.00 1.07 H new ATOM 0 HD21 LEU B 21 -3.987 1.090 -1.526 1.00 1.46 H new ATOM 0 HD22 LEU B 21 -5.113 2.445 -1.777 1.00 1.46 H new ATOM 0 HD23 LEU B 21 -3.645 2.678 -0.799 1.00 1.46 H new ATOM 1453 N TRP B 22 -5.362 4.730 3.578 1.00 4.27 N ATOM 1454 CA TRP B 22 -5.545 6.081 4.086 1.00 5.07 C ATOM 1455 C TRP B 22 -4.215 6.821 4.114 1.00 5.46 C ATOM 1456 O TRP B 22 -3.180 6.247 4.442 1.00 5.34 O ATOM 1457 CB TRP B 22 -6.187 6.064 5.485 1.00 5.66 C ATOM 1458 CG TRP B 22 -5.343 5.446 6.565 1.00 5.95 C ATOM 1459 CD1 TRP B 22 -4.591 6.110 7.489 1.00 6.65 C ATOM 1460 CD2 TRP B 22 -5.178 4.048 6.841 1.00 5.65 C ATOM 1461 NE1 TRP B 22 -3.968 5.215 8.321 1.00 6.80 N ATOM 1462 CE2 TRP B 22 -4.312 3.943 7.948 1.00 6.24 C ATOM 1463 CE3 TRP B 22 -5.676 2.876 6.265 1.00 5.04 C ATOM 1464 CZ2 TRP B 22 -3.933 2.716 8.483 1.00 6.30 C ATOM 1465 CZ3 TRP B 22 -5.301 1.660 6.799 1.00 5.15 C ATOM 1466 CH2 TRP B 22 -4.437 1.587 7.900 1.00 5.80 C ATOM 0 H TRP B 22 -4.460 4.309 3.803 1.00 4.27 H new ATOM 0 HA TRP B 22 -6.222 6.608 3.414 1.00 5.07 H new ATOM 0 HB2 TRP B 22 -6.424 7.089 5.772 1.00 5.66 H new ATOM 0 HB3 TRP B 22 -7.131 5.522 5.428 1.00 5.66 H new ATOM 0 HD1 TRP B 22 -4.499 7.184 7.556 1.00 6.65 H new ATOM 0 HE1 TRP B 22 -3.348 5.458 9.094 1.00 6.80 H new ATOM 0 HE3 TRP B 22 -6.343 2.921 5.417 1.00 5.04 H new ATOM 0 HZ2 TRP B 22 -3.264 2.658 9.329 1.00 6.30 H new ATOM 0 HZ3 TRP B 22 -5.680 0.749 6.361 1.00 5.15 H new ATOM 0 HH2 TRP B 22 -4.164 0.620 8.296 1.00 5.80 H new ATOM 1477 N VAL B 23 -4.246 8.090 3.747 1.00 5.98 N ATOM 1478 CA VAL B 23 -3.038 8.898 3.741 1.00 6.42 C ATOM 1479 C VAL B 23 -2.693 9.351 5.159 1.00 7.21 C ATOM 1480 O VAL B 23 -3.551 9.832 5.901 1.00 7.74 O ATOM 1481 CB VAL B 23 -3.177 10.119 2.797 1.00 6.77 C ATOM 1482 CG1 VAL B 23 -4.361 10.991 3.186 1.00 7.35 C ATOM 1483 CG2 VAL B 23 -1.890 10.934 2.774 1.00 7.25 C ATOM 0 H VAL B 23 -5.089 8.582 3.451 1.00 5.98 H new ATOM 0 HA VAL B 23 -2.224 8.279 3.363 1.00 6.42 H new ATOM 0 HB VAL B 23 -3.362 9.740 1.792 1.00 6.77 H new ATOM 0 HG11 VAL B 23 -4.429 11.838 2.503 1.00 7.35 H new ATOM 0 HG12 VAL B 23 -5.278 10.405 3.130 1.00 7.35 H new ATOM 0 HG13 VAL B 23 -4.225 11.356 4.204 1.00 7.35 H new ATOM 0 HG21 VAL B 23 -2.011 11.786 2.105 1.00 7.25 H new ATOM 0 HG22 VAL B 23 -1.667 11.291 3.780 1.00 7.25 H new ATOM 0 HG23 VAL B 23 -1.070 10.309 2.421 1.00 7.25 H new ATOM 1493 N GLU B 24 -1.442 9.153 5.540 1.00 7.30 N ATOM 1494 CA GLU B 24 -0.978 9.523 6.865 1.00 8.08 C ATOM 1495 C GLU B 24 0.328 10.296 6.753 1.00 8.45 C ATOM 1496 O GLU B 24 1.396 9.718 6.531 1.00 8.09 O ATOM 1497 CB GLU B 24 -0.794 8.268 7.714 1.00 7.99 C ATOM 1498 CG GLU B 24 -0.504 8.535 9.177 1.00 8.87 C ATOM 1499 CD GLU B 24 -0.357 7.249 9.960 1.00 9.06 C ATOM 1500 OE1 GLU B 24 -1.391 6.680 10.377 1.00 9.44 O ATOM 1501 OE2 GLU B 24 0.787 6.787 10.140 1.00 9.18 O ATOM 0 H GLU B 24 -0.726 8.735 4.945 1.00 7.30 H new ATOM 0 HA GLU B 24 -1.718 10.162 7.348 1.00 8.08 H new ATOM 0 HB2 GLU B 24 -1.696 7.660 7.641 1.00 7.99 H new ATOM 0 HB3 GLU B 24 0.023 7.679 7.297 1.00 7.99 H new ATOM 0 HG2 GLU B 24 0.410 9.122 9.266 1.00 8.87 H new ATOM 0 HG3 GLU B 24 -1.309 9.132 9.605 1.00 8.87 H new ATOM 1508 N GLY B 25 0.231 11.612 6.867 1.00 9.20 N ATOM 1509 CA GLY B 25 1.394 12.454 6.705 1.00 9.66 C ATOM 1510 C GLY B 25 1.864 12.474 5.267 1.00 9.29 C ATOM 1511 O GLY B 25 1.188 13.015 4.393 1.00 9.46 O ATOM 0 H GLY B 25 -0.635 12.111 7.069 1.00 9.20 H new ATOM 0 HA2 GLY B 25 1.158 13.468 7.027 1.00 9.66 H new ATOM 0 HA3 GLY B 25 2.198 12.094 7.347 1.00 9.66 H new ATOM 1515 N GLU B 26 3.011 11.865 5.018 1.00 8.83 N ATOM 1516 CA GLU B 26 3.554 11.790 3.671 1.00 8.54 C ATOM 1517 C GLU B 26 3.372 10.394 3.083 1.00 7.58 C ATOM 1518 O GLU B 26 3.563 10.187 1.885 1.00 7.39 O ATOM 1519 CB GLU B 26 5.040 12.151 3.675 1.00 8.75 C ATOM 1520 CG GLU B 26 5.323 13.606 4.010 1.00 9.32 C ATOM 1521 CD GLU B 26 4.718 14.565 3.004 1.00 8.94 C ATOM 1522 OE1 GLU B 26 5.077 14.489 1.811 1.00 9.09 O ATOM 1523 OE2 GLU B 26 3.875 15.396 3.401 1.00 9.25 O ATOM 0 H GLU B 26 3.585 11.415 5.731 1.00 8.83 H new ATOM 0 HA GLU B 26 3.009 12.504 3.053 1.00 8.54 H new ATOM 0 HB2 GLU B 26 5.555 11.516 4.396 1.00 8.75 H new ATOM 0 HB3 GLU B 26 5.460 11.926 2.695 1.00 8.75 H new ATOM 0 HG2 GLU B 26 4.929 13.830 5.002 1.00 9.32 H new ATOM 0 HG3 GLU B 26 6.401 13.762 4.052 1.00 9.32 H new ATOM 1530 N ARG B 27 2.996 9.439 3.924 1.00 7.08 N ATOM 1531 CA ARG B 27 2.937 8.047 3.498 1.00 6.17 C ATOM 1532 C ARG B 27 1.503 7.525 3.527 1.00 5.81 C ATOM 1533 O ARG B 27 0.832 7.567 4.557 1.00 6.17 O ATOM 1534 CB ARG B 27 3.847 7.193 4.395 1.00 5.82 C ATOM 1535 CG ARG B 27 4.127 5.794 3.856 1.00 5.05 C ATOM 1536 CD ARG B 27 3.028 4.803 4.232 1.00 5.18 C ATOM 1537 NE ARG B 27 3.135 3.528 3.508 1.00 5.89 N ATOM 1538 CZ ARG B 27 2.715 2.352 3.993 1.00 6.56 C ATOM 1539 NH1 ARG B 27 2.246 2.265 5.232 1.00 6.63 N ATOM 1540 NH2 ARG B 27 2.782 1.256 3.241 1.00 7.34 N ATOM 0 H ARG B 27 2.730 9.600 4.895 1.00 7.08 H new ATOM 0 HA ARG B 27 3.290 7.981 2.469 1.00 6.17 H new ATOM 0 HB2 ARG B 27 4.795 7.713 4.531 1.00 5.82 H new ATOM 0 HB3 ARG B 27 3.388 7.105 5.380 1.00 5.82 H new ATOM 0 HG2 ARG B 27 4.221 5.836 2.771 1.00 5.05 H new ATOM 0 HG3 ARG B 27 5.082 5.441 4.245 1.00 5.05 H new ATOM 0 HD2 ARG B 27 3.070 4.611 5.304 1.00 5.18 H new ATOM 0 HD3 ARG B 27 2.056 5.251 4.027 1.00 5.18 H new ATOM 0 HE ARG B 27 3.555 3.540 2.579 1.00 5.89 H new ATOM 0 HH11 ARG B 27 2.204 3.097 5.821 1.00 6.63 H new ATOM 0 HH12 ARG B 27 1.928 1.366 5.595 1.00 6.63 H new ATOM 0 HH21 ARG B 27 3.154 1.310 2.293 1.00 7.34 H new ATOM 0 HH22 ARG B 27 2.461 0.362 3.613 1.00 7.34 H new ATOM 1554 N LEU B 28 1.039 7.036 2.384 1.00 5.18 N ATOM 1555 CA LEU B 28 -0.275 6.417 2.290 1.00 4.75 C ATOM 1556 C LEU B 28 -0.228 5.032 2.930 1.00 4.35 C ATOM 1557 O LEU B 28 0.479 4.144 2.454 1.00 3.95 O ATOM 1558 CB LEU B 28 -0.712 6.335 0.814 1.00 4.29 C ATOM 1559 CG LEU B 28 -2.159 5.885 0.555 1.00 3.68 C ATOM 1560 CD1 LEU B 28 -2.621 6.363 -0.812 1.00 3.48 C ATOM 1561 CD2 LEU B 28 -2.287 4.372 0.634 1.00 3.83 C ATOM 0 H LEU B 28 1.557 7.057 1.506 1.00 5.18 H new ATOM 0 HA LEU B 28 -1.008 7.021 2.824 1.00 4.75 H new ATOM 0 HB2 LEU B 28 -0.573 7.317 0.361 1.00 4.29 H new ATOM 0 HB3 LEU B 28 -0.042 5.648 0.297 1.00 4.29 H new ATOM 0 HG LEU B 28 -2.788 6.326 1.328 1.00 3.68 H new ATOM 0 HD11 LEU B 28 -3.647 6.038 -0.983 1.00 3.48 H new ATOM 0 HD12 LEU B 28 -2.574 7.451 -0.852 1.00 3.48 H new ATOM 0 HD13 LEU B 28 -1.974 5.943 -1.582 1.00 3.48 H new ATOM 0 HD21 LEU B 28 -3.321 4.084 0.447 1.00 3.83 H new ATOM 0 HD22 LEU B 28 -1.641 3.913 -0.114 1.00 3.83 H new ATOM 0 HD23 LEU B 28 -1.990 4.033 1.627 1.00 3.83 H new ATOM 1573 N ARG B 29 -0.965 4.858 4.016 1.00 4.62 N ATOM 1574 CA ARG B 29 -0.946 3.606 4.759 1.00 4.54 C ATOM 1575 C ARG B 29 -1.829 2.576 4.067 1.00 3.87 C ATOM 1576 O ARG B 29 -2.916 2.900 3.591 1.00 3.74 O ATOM 1577 CB ARG B 29 -1.432 3.811 6.196 1.00 5.38 C ATOM 1578 CG ARG B 29 -0.807 4.999 6.907 1.00 6.16 C ATOM 1579 CD ARG B 29 0.696 4.857 7.063 1.00 6.30 C ATOM 1580 NE ARG B 29 1.072 3.768 7.965 1.00 6.97 N ATOM 1581 CZ ARG B 29 2.164 3.797 8.734 1.00 7.39 C ATOM 1582 NH1 ARG B 29 2.919 4.884 8.769 1.00 7.29 N ATOM 1583 NH2 ARG B 29 2.480 2.758 9.493 1.00 8.07 N ATOM 0 H ARG B 29 -1.585 5.569 4.404 1.00 4.62 H new ATOM 0 HA ARG B 29 0.083 3.247 4.788 1.00 4.54 H new ATOM 0 HB2 ARG B 29 -2.515 3.938 6.186 1.00 5.38 H new ATOM 0 HB3 ARG B 29 -1.222 2.908 6.770 1.00 5.38 H new ATOM 0 HG2 ARG B 29 -1.027 5.909 6.349 1.00 6.16 H new ATOM 0 HG3 ARG B 29 -1.262 5.110 7.891 1.00 6.16 H new ATOM 0 HD2 ARG B 29 1.143 4.683 6.084 1.00 6.30 H new ATOM 0 HD3 ARG B 29 1.108 5.793 7.440 1.00 6.30 H new ATOM 0 HE ARG B 29 0.470 2.946 8.009 1.00 6.97 H new ATOM 0 HH11 ARG B 29 2.667 5.698 8.209 1.00 7.29 H new ATOM 0 HH12 ARG B 29 3.753 4.907 9.356 1.00 7.29 H new ATOM 0 HH21 ARG B 29 1.888 1.928 9.493 1.00 8.07 H new ATOM 0 HH22 ARG B 29 3.316 2.789 10.077 1.00 8.07 H new ATOM 1597 N PHE B 30 -1.357 1.342 4.023 1.00 3.54 N ATOM 1598 CA PHE B 30 -2.069 0.275 3.340 1.00 3.01 C ATOM 1599 C PHE B 30 -2.358 -0.854 4.324 1.00 3.62 C ATOM 1600 O PHE B 30 -1.482 -1.254 5.093 1.00 4.16 O ATOM 1601 CB PHE B 30 -1.221 -0.244 2.170 1.00 2.37 C ATOM 1602 CG PHE B 30 -2.012 -0.758 0.997 1.00 1.77 C ATOM 1603 CD1 PHE B 30 -3.017 -1.697 1.167 1.00 1.94 C ATOM 1604 CD2 PHE B 30 -1.744 -0.297 -0.285 1.00 2.01 C ATOM 1605 CE1 PHE B 30 -3.738 -2.165 0.087 1.00 1.84 C ATOM 1606 CE2 PHE B 30 -2.461 -0.762 -1.370 1.00 1.96 C ATOM 1607 CZ PHE B 30 -3.460 -1.697 -1.185 1.00 1.59 C ATOM 0 H PHE B 30 -0.479 1.053 4.455 1.00 3.54 H new ATOM 0 HA PHE B 30 -3.013 0.656 2.949 1.00 3.01 H new ATOM 0 HB2 PHE B 30 -0.570 0.560 1.827 1.00 2.37 H new ATOM 0 HB3 PHE B 30 -0.576 -1.044 2.534 1.00 2.37 H new ATOM 0 HD1 PHE B 30 -3.239 -2.067 2.157 1.00 1.94 H new ATOM 0 HD2 PHE B 30 -0.964 0.435 -0.436 1.00 2.01 H new ATOM 0 HE1 PHE B 30 -4.519 -2.896 0.235 1.00 1.84 H new ATOM 0 HE2 PHE B 30 -2.241 -0.395 -2.361 1.00 1.96 H new ATOM 0 HZ PHE B 30 -4.023 -2.062 -2.031 1.00 1.59 H new ATOM 1617 N GLN B 31 -3.590 -1.338 4.319 1.00 3.62 N ATOM 1618 CA GLN B 31 -3.984 -2.463 5.156 1.00 4.28 C ATOM 1619 C GLN B 31 -4.699 -3.507 4.307 1.00 4.09 C ATOM 1620 O GLN B 31 -5.797 -3.263 3.798 1.00 3.68 O ATOM 1621 CB GLN B 31 -4.895 -1.986 6.296 1.00 4.83 C ATOM 1622 CG GLN B 31 -5.438 -3.108 7.177 1.00 5.54 C ATOM 1623 CD GLN B 31 -4.353 -3.869 7.917 1.00 6.28 C ATOM 1624 OE1 GLN B 31 -3.308 -3.320 8.256 1.00 6.66 O ATOM 1625 NE2 GLN B 31 -4.603 -5.146 8.180 1.00 6.72 N ATOM 0 H GLN B 31 -4.342 -0.966 3.739 1.00 3.62 H new ATOM 0 HA GLN B 31 -3.092 -2.911 5.594 1.00 4.28 H new ATOM 0 HB2 GLN B 31 -4.340 -1.286 6.920 1.00 4.83 H new ATOM 0 HB3 GLN B 31 -5.734 -1.436 5.869 1.00 4.83 H new ATOM 0 HG2 GLN B 31 -6.135 -2.687 7.901 1.00 5.54 H new ATOM 0 HG3 GLN B 31 -6.004 -3.805 6.558 1.00 5.54 H new ATOM 0 HE21 GLN B 31 -5.484 -5.565 7.881 1.00 6.72 H new ATOM 0 HE22 GLN B 31 -3.915 -5.708 8.681 1.00 6.72 H new ATOM 1634 N ALA B 32 -4.071 -4.662 4.140 1.00 4.50 N ATOM 1635 CA ALA B 32 -4.641 -5.721 3.323 1.00 4.62 C ATOM 1636 C ALA B 32 -4.439 -7.083 3.971 1.00 5.46 C ATOM 1637 O ALA B 32 -3.350 -7.396 4.454 1.00 5.75 O ATOM 1638 CB ALA B 32 -4.026 -5.701 1.934 1.00 4.15 C ATOM 0 H ALA B 32 -3.169 -4.888 4.559 1.00 4.50 H new ATOM 0 HA ALA B 32 -5.713 -5.544 3.238 1.00 4.62 H new ATOM 0 HB1 ALA B 32 -4.461 -6.499 1.332 1.00 4.15 H new ATOM 0 HB2 ALA B 32 -4.226 -4.739 1.461 1.00 4.15 H new ATOM 0 HB3 ALA B 32 -2.949 -5.851 2.011 1.00 4.15 H new ATOM 1644 N PRO B 33 -5.506 -7.894 4.021 1.00 5.89 N ATOM 1645 CA PRO B 33 -5.436 -9.281 4.497 1.00 6.71 C ATOM 1646 C PRO B 33 -4.534 -10.146 3.613 1.00 6.87 C ATOM 1647 O PRO B 33 -4.356 -9.869 2.422 1.00 6.45 O ATOM 1648 CB PRO B 33 -6.890 -9.769 4.419 1.00 6.98 C ATOM 1649 CG PRO B 33 -7.712 -8.528 4.374 1.00 6.45 C ATOM 1650 CD PRO B 33 -6.878 -7.515 3.649 1.00 5.63 C ATOM 0 HA PRO B 33 -5.010 -9.346 5.498 1.00 6.71 H new ATOM 0 HB2 PRO B 33 -7.053 -10.383 3.533 1.00 6.98 H new ATOM 0 HB3 PRO B 33 -7.147 -10.382 5.283 1.00 6.98 H new ATOM 0 HG2 PRO B 33 -8.655 -8.702 3.856 1.00 6.45 H new ATOM 0 HG3 PRO B 33 -7.959 -8.185 5.379 1.00 6.45 H new ATOM 0 HD2 PRO B 33 -7.032 -7.562 2.571 1.00 5.63 H new ATOM 0 HD3 PRO B 33 -7.115 -6.498 3.961 1.00 5.63 H new ATOM 1658 N PRO B 34 -3.954 -11.212 4.182 1.00 7.55 N ATOM 1659 CA PRO B 34 -3.032 -12.086 3.454 1.00 7.81 C ATOM 1660 C PRO B 34 -3.703 -12.811 2.286 1.00 8.02 C ATOM 1661 O PRO B 34 -4.719 -13.487 2.454 1.00 8.45 O ATOM 1662 CB PRO B 34 -2.571 -13.091 4.513 1.00 8.57 C ATOM 1663 CG PRO B 34 -3.619 -13.057 5.571 1.00 8.85 C ATOM 1664 CD PRO B 34 -4.153 -11.654 5.574 1.00 8.16 C ATOM 0 HA PRO B 34 -2.217 -11.520 3.002 1.00 7.81 H new ATOM 0 HB2 PRO B 34 -2.472 -14.091 4.090 1.00 8.57 H new ATOM 0 HB3 PRO B 34 -1.596 -12.818 4.916 1.00 8.57 H new ATOM 0 HG2 PRO B 34 -4.411 -13.776 5.360 1.00 8.85 H new ATOM 0 HG3 PRO B 34 -3.201 -13.318 6.543 1.00 8.85 H new ATOM 0 HD2 PRO B 34 -5.205 -11.625 5.859 1.00 8.16 H new ATOM 0 HD3 PRO B 34 -3.614 -11.020 6.278 1.00 8.16 H new ATOM 1672 N GLY B 35 -3.145 -12.636 1.094 1.00 7.75 N ATOM 1673 CA GLY B 35 -3.626 -13.368 -0.060 1.00 8.09 C ATOM 1674 C GLY B 35 -4.432 -12.518 -1.020 1.00 7.59 C ATOM 1675 O GLY B 35 -4.326 -12.682 -2.231 1.00 7.78 O ATOM 0 H GLY B 35 -2.369 -12.001 0.907 1.00 7.75 H new ATOM 0 HA2 GLY B 35 -2.775 -13.794 -0.591 1.00 8.09 H new ATOM 0 HA3 GLY B 35 -4.241 -14.202 0.279 1.00 8.09 H new ATOM 1679 N VAL B 36 -5.222 -11.593 -0.485 1.00 7.00 N ATOM 1680 CA VAL B 36 -6.125 -10.797 -1.315 1.00 6.54 C ATOM 1681 C VAL B 36 -5.394 -9.665 -2.033 1.00 5.96 C ATOM 1682 O VAL B 36 -5.955 -9.026 -2.916 1.00 5.81 O ATOM 1683 CB VAL B 36 -7.286 -10.199 -0.490 1.00 6.15 C ATOM 1684 CG1 VAL B 36 -8.073 -11.296 0.209 1.00 6.78 C ATOM 1685 CG2 VAL B 36 -6.772 -9.180 0.514 1.00 5.59 C ATOM 0 H VAL B 36 -5.257 -11.376 0.511 1.00 7.00 H new ATOM 0 HA VAL B 36 -6.530 -11.484 -2.058 1.00 6.54 H new ATOM 0 HB VAL B 36 -7.957 -9.685 -1.178 1.00 6.15 H new ATOM 0 HG11 VAL B 36 -8.885 -10.851 0.784 1.00 6.78 H new ATOM 0 HG12 VAL B 36 -8.486 -11.978 -0.534 1.00 6.78 H new ATOM 0 HG13 VAL B 36 -7.413 -11.846 0.880 1.00 6.78 H new ATOM 0 HG21 VAL B 36 -7.609 -8.774 1.082 1.00 5.59 H new ATOM 0 HG22 VAL B 36 -6.071 -9.662 1.196 1.00 5.59 H new ATOM 0 HG23 VAL B 36 -6.266 -8.372 -0.014 1.00 5.59 H new ATOM 1695 N MET B 37 -4.140 -9.437 -1.666 1.00 5.73 N ATOM 1696 CA MET B 37 -3.357 -8.328 -2.214 1.00 5.13 C ATOM 1697 C MET B 37 -2.738 -8.697 -3.569 1.00 5.49 C ATOM 1698 O MET B 37 -1.761 -8.087 -4.004 1.00 5.20 O ATOM 1699 CB MET B 37 -2.265 -7.909 -1.219 1.00 4.75 C ATOM 1700 CG MET B 37 -1.552 -6.602 -1.575 1.00 4.01 C ATOM 1701 SD MET B 37 -2.440 -5.112 -1.068 1.00 3.52 S ATOM 1702 CE MET B 37 -3.948 -5.208 -2.028 1.00 3.19 C ATOM 0 H MET B 37 -3.637 -10.008 -0.986 1.00 5.73 H new ATOM 0 HA MET B 37 -4.030 -7.486 -2.376 1.00 5.13 H new ATOM 0 HB2 MET B 37 -2.712 -7.807 -0.230 1.00 4.75 H new ATOM 0 HB3 MET B 37 -1.525 -8.706 -1.154 1.00 4.75 H new ATOM 0 HG2 MET B 37 -0.567 -6.600 -1.109 1.00 4.01 H new ATOM 0 HG3 MET B 37 -1.395 -6.569 -2.653 1.00 4.01 H new ATOM 0 HE1 MET B 37 -4.357 -4.207 -2.164 1.00 3.19 H new ATOM 0 HE2 MET B 37 -3.732 -5.647 -3.002 1.00 3.19 H new ATOM 0 HE3 MET B 37 -4.674 -5.829 -1.503 1.00 3.19 H new ATOM 1712 N THR B 38 -3.296 -9.713 -4.217 1.00 6.18 N ATOM 1713 CA THR B 38 -2.824 -10.142 -5.527 1.00 6.68 C ATOM 1714 C THR B 38 -2.732 -8.959 -6.494 1.00 6.35 C ATOM 1715 O THR B 38 -3.549 -8.033 -6.434 1.00 5.90 O ATOM 1716 CB THR B 38 -3.760 -11.215 -6.119 1.00 7.43 C ATOM 1717 OG1 THR B 38 -5.125 -10.823 -5.925 1.00 7.27 O ATOM 1718 CG2 THR B 38 -3.518 -12.570 -5.472 1.00 7.96 C ATOM 0 H THR B 38 -4.079 -10.257 -3.854 1.00 6.18 H new ATOM 0 HA THR B 38 -1.829 -10.566 -5.394 1.00 6.68 H new ATOM 0 HB THR B 38 -3.550 -11.303 -7.185 1.00 7.43 H new ATOM 0 HG1 THR B 38 -5.718 -11.505 -6.303 1.00 7.27 H new ATOM 0 HG21 THR B 38 -4.192 -13.307 -5.909 1.00 7.96 H new ATOM 0 HG22 THR B 38 -2.486 -12.876 -5.643 1.00 7.96 H new ATOM 0 HG23 THR B 38 -3.703 -12.500 -4.400 1.00 7.96 H new ATOM 1726 N PRO B 39 -1.728 -8.966 -7.389 1.00 6.65 N ATOM 1727 CA PRO B 39 -1.520 -7.883 -8.362 1.00 6.53 C ATOM 1728 C PRO B 39 -2.777 -7.584 -9.173 1.00 6.66 C ATOM 1729 O PRO B 39 -3.013 -6.446 -9.578 1.00 6.35 O ATOM 1730 CB PRO B 39 -0.413 -8.430 -9.267 1.00 7.19 C ATOM 1731 CG PRO B 39 0.320 -9.410 -8.418 1.00 7.30 C ATOM 1732 CD PRO B 39 -0.714 -10.028 -7.520 1.00 7.21 C ATOM 0 HA PRO B 39 -1.266 -6.940 -7.878 1.00 6.53 H new ATOM 0 HB2 PRO B 39 -0.827 -8.907 -10.155 1.00 7.19 H new ATOM 0 HB3 PRO B 39 0.246 -7.633 -9.612 1.00 7.19 H new ATOM 0 HG2 PRO B 39 0.810 -10.168 -9.030 1.00 7.30 H new ATOM 0 HG3 PRO B 39 1.099 -8.917 -7.836 1.00 7.30 H new ATOM 0 HD2 PRO B 39 -1.135 -10.934 -7.955 1.00 7.21 H new ATOM 0 HD3 PRO B 39 -0.294 -10.304 -6.553 1.00 7.21 H new ATOM 1740 N GLU B 40 -3.588 -8.615 -9.390 1.00 7.16 N ATOM 1741 CA GLU B 40 -4.851 -8.466 -10.092 1.00 7.32 C ATOM 1742 C GLU B 40 -5.767 -7.496 -9.348 1.00 6.59 C ATOM 1743 O GLU B 40 -6.381 -6.621 -9.961 1.00 6.46 O ATOM 1744 CB GLU B 40 -5.533 -9.826 -10.242 1.00 7.95 C ATOM 1745 CG GLU B 40 -6.792 -9.791 -11.090 1.00 8.17 C ATOM 1746 CD GLU B 40 -6.520 -9.333 -12.504 1.00 8.67 C ATOM 1747 OE1 GLU B 40 -6.021 -10.142 -13.312 1.00 8.70 O ATOM 1748 OE2 GLU B 40 -6.805 -8.162 -12.821 1.00 9.22 O ATOM 0 H GLU B 40 -3.388 -9.568 -9.086 1.00 7.16 H new ATOM 0 HA GLU B 40 -4.651 -8.060 -11.084 1.00 7.32 H new ATOM 0 HB2 GLU B 40 -4.827 -10.529 -10.685 1.00 7.95 H new ATOM 0 HB3 GLU B 40 -5.784 -10.207 -9.252 1.00 7.95 H new ATOM 0 HG2 GLU B 40 -7.240 -10.785 -11.112 1.00 8.17 H new ATOM 0 HG3 GLU B 40 -7.520 -9.124 -10.628 1.00 8.17 H new ATOM 1755 N LEU B 41 -5.833 -7.631 -8.022 1.00 6.17 N ATOM 1756 CA LEU B 41 -6.687 -6.771 -7.213 1.00 5.47 C ATOM 1757 C LEU B 41 -6.241 -5.322 -7.335 1.00 4.86 C ATOM 1758 O LEU B 41 -7.060 -4.430 -7.534 1.00 4.46 O ATOM 1759 CB LEU B 41 -6.659 -7.170 -5.737 1.00 5.29 C ATOM 1760 CG LEU B 41 -7.646 -6.396 -4.860 1.00 4.67 C ATOM 1761 CD1 LEU B 41 -9.028 -7.024 -4.931 1.00 5.06 C ATOM 1762 CD2 LEU B 41 -7.155 -6.311 -3.426 1.00 4.24 C ATOM 0 H LEU B 41 -5.307 -8.325 -7.491 1.00 6.17 H new ATOM 0 HA LEU B 41 -7.704 -6.886 -7.587 1.00 5.47 H new ATOM 0 HB2 LEU B 41 -6.876 -8.235 -5.656 1.00 5.29 H new ATOM 0 HB3 LEU B 41 -5.651 -7.019 -5.350 1.00 5.29 H new ATOM 0 HG LEU B 41 -7.715 -5.378 -5.243 1.00 4.67 H new ATOM 0 HD11 LEU B 41 -9.717 -6.460 -4.301 1.00 5.06 H new ATOM 0 HD12 LEU B 41 -9.383 -7.008 -5.962 1.00 5.06 H new ATOM 0 HD13 LEU B 41 -8.978 -8.055 -4.581 1.00 5.06 H new ATOM 0 HD21 LEU B 41 -7.876 -5.756 -2.827 1.00 4.24 H new ATOM 0 HD22 LEU B 41 -7.043 -7.316 -3.020 1.00 4.24 H new ATOM 0 HD23 LEU B 41 -6.193 -5.800 -3.401 1.00 4.24 H new ATOM 1774 N GLN B 42 -4.934 -5.099 -7.224 1.00 4.84 N ATOM 1775 CA GLN B 42 -4.379 -3.753 -7.330 1.00 4.35 C ATOM 1776 C GLN B 42 -4.668 -3.166 -8.709 1.00 4.69 C ATOM 1777 O GLN B 42 -4.956 -1.972 -8.835 1.00 4.37 O ATOM 1778 CB GLN B 42 -2.868 -3.764 -7.054 1.00 4.43 C ATOM 1779 CG GLN B 42 -2.198 -2.404 -7.231 1.00 4.02 C ATOM 1780 CD GLN B 42 -2.740 -1.342 -6.288 1.00 3.27 C ATOM 1781 OE1 GLN B 42 -2.221 -1.133 -5.195 1.00 3.29 O ATOM 1782 NE2 GLN B 42 -3.788 -0.656 -6.713 1.00 3.09 N ATOM 0 H GLN B 42 -4.242 -5.830 -7.061 1.00 4.84 H new ATOM 0 HA GLN B 42 -4.857 -3.124 -6.579 1.00 4.35 H new ATOM 0 HB2 GLN B 42 -2.697 -4.113 -6.036 1.00 4.43 H new ATOM 0 HB3 GLN B 42 -2.392 -4.482 -7.721 1.00 4.43 H new ATOM 0 HG2 GLN B 42 -1.125 -2.511 -7.069 1.00 4.02 H new ATOM 0 HG3 GLN B 42 -2.334 -2.071 -8.260 1.00 4.02 H new ATOM 0 HE21 GLN B 42 -4.193 -0.857 -7.627 1.00 3.09 H new ATOM 0 HE22 GLN B 42 -4.191 0.074 -6.126 1.00 3.09 H new ATOM 1791 N SER B 43 -4.606 -4.007 -9.732 1.00 5.44 N ATOM 1792 CA SER B 43 -4.926 -3.588 -11.087 1.00 5.93 C ATOM 1793 C SER B 43 -6.391 -3.155 -11.178 1.00 5.79 C ATOM 1794 O SER B 43 -6.729 -2.218 -11.906 1.00 5.94 O ATOM 1795 CB SER B 43 -4.641 -4.733 -12.066 1.00 6.77 C ATOM 1796 OG SER B 43 -4.785 -4.320 -13.415 1.00 7.35 O ATOM 0 H SER B 43 -4.336 -4.987 -9.647 1.00 5.44 H new ATOM 0 HA SER B 43 -4.301 -2.735 -11.352 1.00 5.93 H new ATOM 0 HB2 SER B 43 -3.629 -5.105 -11.906 1.00 6.77 H new ATOM 0 HB3 SER B 43 -5.321 -5.561 -11.865 1.00 6.77 H new ATOM 0 HG SER B 43 -4.594 -5.075 -14.010 1.00 7.35 H new ATOM 1802 N ARG B 44 -7.251 -3.830 -10.422 1.00 5.57 N ATOM 1803 CA ARG B 44 -8.674 -3.512 -10.402 1.00 5.41 C ATOM 1804 C ARG B 44 -8.942 -2.272 -9.554 1.00 4.69 C ATOM 1805 O ARG B 44 -9.766 -1.435 -9.916 1.00 4.71 O ATOM 1806 CB ARG B 44 -9.482 -4.702 -9.884 1.00 5.44 C ATOM 1807 CG ARG B 44 -9.269 -5.963 -10.706 1.00 6.25 C ATOM 1808 CD ARG B 44 -9.618 -5.732 -12.166 1.00 6.38 C ATOM 1809 NE ARG B 44 -9.056 -6.762 -13.034 1.00 7.03 N ATOM 1810 CZ ARG B 44 -9.482 -7.002 -14.266 1.00 7.53 C ATOM 1811 NH1 ARG B 44 -10.479 -6.295 -14.784 1.00 7.50 N ATOM 1812 NH2 ARG B 44 -8.896 -7.949 -14.986 1.00 8.28 N ATOM 0 H ARG B 44 -6.985 -4.604 -9.813 1.00 5.57 H new ATOM 0 HA ARG B 44 -8.989 -3.299 -11.423 1.00 5.41 H new ATOM 0 HB2 ARG B 44 -9.206 -4.899 -8.848 1.00 5.44 H new ATOM 0 HB3 ARG B 44 -10.541 -4.445 -9.889 1.00 5.44 H new ATOM 0 HG2 ARG B 44 -8.230 -6.283 -10.624 1.00 6.25 H new ATOM 0 HG3 ARG B 44 -9.883 -6.769 -10.306 1.00 6.25 H new ATOM 0 HD2 ARG B 44 -10.702 -5.713 -12.281 1.00 6.38 H new ATOM 0 HD3 ARG B 44 -9.248 -4.755 -12.477 1.00 6.38 H new ATOM 0 HE ARG B 44 -8.291 -7.330 -12.671 1.00 7.03 H new ATOM 0 HH11 ARG B 44 -10.923 -5.561 -14.233 1.00 7.50 H new ATOM 0 HH12 ARG B 44 -10.801 -6.486 -15.733 1.00 7.50 H new ATOM 0 HH21 ARG B 44 -8.124 -8.486 -14.591 1.00 8.28 H new ATOM 0 HH22 ARG B 44 -9.217 -8.140 -15.935 1.00 8.28 H new ATOM 1826 N LEU B 45 -8.242 -2.164 -8.426 1.00 4.13 N ATOM 1827 CA LEU B 45 -8.305 -0.967 -7.588 1.00 3.49 C ATOM 1828 C LEU B 45 -7.919 0.257 -8.413 1.00 3.91 C ATOM 1829 O LEU B 45 -8.429 1.355 -8.208 1.00 3.85 O ATOM 1830 CB LEU B 45 -7.355 -1.092 -6.390 1.00 2.89 C ATOM 1831 CG LEU B 45 -7.665 -2.219 -5.400 1.00 2.68 C ATOM 1832 CD1 LEU B 45 -6.528 -2.372 -4.399 1.00 2.32 C ATOM 1833 CD2 LEU B 45 -8.975 -1.945 -4.675 1.00 2.32 C ATOM 0 H LEU B 45 -7.623 -2.893 -8.070 1.00 4.13 H new ATOM 0 HA LEU B 45 -9.324 -0.858 -7.217 1.00 3.49 H new ATOM 0 HB2 LEU B 45 -6.343 -1.236 -6.768 1.00 2.89 H new ATOM 0 HB3 LEU B 45 -7.361 -0.147 -5.847 1.00 2.89 H new ATOM 0 HG LEU B 45 -7.766 -3.150 -5.957 1.00 2.68 H new ATOM 0 HD11 LEU B 45 -6.763 -3.177 -3.702 1.00 2.32 H new ATOM 0 HD12 LEU B 45 -5.606 -2.609 -4.929 1.00 2.32 H new ATOM 0 HD13 LEU B 45 -6.401 -1.440 -3.848 1.00 2.32 H new ATOM 0 HD21 LEU B 45 -9.180 -2.755 -3.976 1.00 2.32 H new ATOM 0 HD22 LEU B 45 -8.899 -1.005 -4.129 1.00 2.32 H new ATOM 0 HD23 LEU B 45 -9.785 -1.878 -5.401 1.00 2.32 H new ATOM 1845 N GLY B 46 -6.967 0.052 -9.316 1.00 4.49 N ATOM 1846 CA GLY B 46 -6.560 1.087 -10.241 1.00 5.11 C ATOM 1847 C GLY B 46 -5.528 2.014 -9.643 1.00 4.95 C ATOM 1848 O GLY B 46 -4.763 2.654 -10.364 1.00 5.58 O ATOM 0 H GLY B 46 -6.464 -0.829 -9.422 1.00 4.49 H new ATOM 0 HA2 GLY B 46 -6.154 0.627 -11.142 1.00 5.11 H new ATOM 0 HA3 GLY B 46 -7.433 1.665 -10.544 1.00 5.11 H new ATOM 1852 N GLY B 47 -5.497 2.073 -8.318 1.00 4.20 N ATOM 1853 CA GLY B 47 -4.561 2.937 -7.630 1.00 4.08 C ATOM 1854 C GLY B 47 -4.924 4.398 -7.785 1.00 4.27 C ATOM 1855 O GLY B 47 -4.095 5.277 -7.551 1.00 4.50 O ATOM 0 H GLY B 47 -6.108 1.534 -7.705 1.00 4.20 H new ATOM 0 HA2 GLY B 47 -4.539 2.679 -6.571 1.00 4.08 H new ATOM 0 HA3 GLY B 47 -3.557 2.769 -8.020 1.00 4.08 H new ATOM 1859 N ALA B 48 -6.164 4.652 -8.178 1.00 4.37 N ATOM 1860 CA ALA B 48 -6.642 6.010 -8.376 1.00 4.85 C ATOM 1861 C ALA B 48 -7.024 6.633 -7.041 1.00 4.49 C ATOM 1862 O ALA B 48 -7.458 5.931 -6.125 1.00 3.88 O ATOM 1863 CB ALA B 48 -7.831 6.010 -9.323 1.00 5.41 C ATOM 0 H ALA B 48 -6.859 3.930 -8.367 1.00 4.37 H new ATOM 0 HA ALA B 48 -5.843 6.605 -8.819 1.00 4.85 H new ATOM 0 HB1 ALA B 48 -8.183 7.032 -9.466 1.00 5.41 H new ATOM 0 HB2 ALA B 48 -7.531 5.592 -10.284 1.00 5.41 H new ATOM 0 HB3 ALA B 48 -8.633 5.406 -8.900 1.00 5.41 H new ATOM 1869 N ARG B 49 -6.884 7.948 -6.936 1.00 5.02 N ATOM 1870 CA ARG B 49 -7.139 8.635 -5.678 1.00 4.98 C ATOM 1871 C ARG B 49 -8.623 8.606 -5.325 1.00 5.00 C ATOM 1872 O ARG B 49 -8.986 8.241 -4.214 1.00 4.59 O ATOM 1873 CB ARG B 49 -6.608 10.076 -5.708 1.00 5.73 C ATOM 1874 CG ARG B 49 -7.157 10.925 -6.842 1.00 6.40 C ATOM 1875 CD ARG B 49 -6.603 12.341 -6.796 1.00 6.81 C ATOM 1876 NE ARG B 49 -7.006 13.053 -5.584 1.00 7.23 N ATOM 1877 CZ ARG B 49 -7.687 14.201 -5.585 1.00 7.61 C ATOM 1878 NH1 ARG B 49 -8.048 14.762 -6.737 1.00 7.61 N ATOM 1879 NH2 ARG B 49 -8.006 14.782 -4.438 1.00 8.22 N ATOM 0 H ARG B 49 -6.597 8.557 -7.702 1.00 5.02 H new ATOM 0 HA ARG B 49 -6.598 8.100 -4.897 1.00 4.98 H new ATOM 0 HB2 ARG B 49 -6.848 10.558 -4.760 1.00 5.73 H new ATOM 0 HB3 ARG B 49 -5.521 10.048 -5.785 1.00 5.73 H new ATOM 0 HG2 ARG B 49 -6.905 10.465 -7.797 1.00 6.40 H new ATOM 0 HG3 ARG B 49 -8.245 10.956 -6.781 1.00 6.40 H new ATOM 0 HD2 ARG B 49 -5.515 12.305 -6.850 1.00 6.81 H new ATOM 0 HD3 ARG B 49 -6.947 12.893 -7.671 1.00 6.81 H new ATOM 0 HE ARG B 49 -6.751 12.648 -4.683 1.00 7.23 H new ATOM 0 HH11 ARG B 49 -7.804 14.315 -7.621 1.00 7.61 H new ATOM 0 HH12 ARG B 49 -8.568 15.639 -6.736 1.00 7.61 H new ATOM 0 HH21 ARG B 49 -7.731 14.352 -3.555 1.00 8.22 H new ATOM 0 HH22 ARG B 49 -8.526 15.659 -4.438 1.00 8.22 H new ATOM 1893 N HIS B 50 -9.478 8.960 -6.281 1.00 5.53 N ATOM 1894 CA HIS B 50 -10.919 9.003 -6.030 1.00 5.65 C ATOM 1895 C HIS B 50 -11.465 7.637 -5.614 1.00 4.90 C ATOM 1896 O HIS B 50 -12.346 7.555 -4.755 1.00 4.73 O ATOM 1897 CB HIS B 50 -11.698 9.560 -7.237 1.00 6.40 C ATOM 1898 CG HIS B 50 -11.209 9.111 -8.584 1.00 6.57 C ATOM 1899 ND1 HIS B 50 -11.541 7.902 -9.154 1.00 6.34 N ATOM 1900 CD2 HIS B 50 -10.414 9.737 -9.486 1.00 7.07 C ATOM 1901 CE1 HIS B 50 -10.972 7.804 -10.340 1.00 6.75 C ATOM 1902 NE2 HIS B 50 -10.283 8.904 -10.567 1.00 7.16 N ATOM 0 H HIS B 50 -9.203 9.219 -7.229 1.00 5.53 H new ATOM 0 HA HIS B 50 -11.068 9.689 -5.196 1.00 5.65 H new ATOM 0 HB2 HIS B 50 -12.745 9.273 -7.136 1.00 6.40 H new ATOM 0 HB3 HIS B 50 -11.661 10.649 -7.200 1.00 6.40 H new ATOM 0 HD1 HIS B 50 -12.135 7.192 -8.725 1.00 6.34 H new ATOM 0 HD2 HIS B 50 -9.966 10.713 -9.374 1.00 7.07 H new ATOM 0 HE1 HIS B 50 -11.057 6.963 -11.012 1.00 6.75 H new ATOM 1911 N GLU B 51 -10.927 6.574 -6.200 1.00 4.52 N ATOM 1912 CA GLU B 51 -11.330 5.220 -5.830 1.00 3.87 C ATOM 1913 C GLU B 51 -10.954 4.922 -4.385 1.00 3.13 C ATOM 1914 O GLU B 51 -11.770 4.433 -3.603 1.00 2.72 O ATOM 1915 CB GLU B 51 -10.678 4.180 -6.751 1.00 3.90 C ATOM 1916 CG GLU B 51 -11.577 3.699 -7.883 1.00 4.40 C ATOM 1917 CD GLU B 51 -11.891 4.783 -8.887 1.00 5.21 C ATOM 1918 OE1 GLU B 51 -12.734 5.658 -8.585 1.00 5.60 O ATOM 1919 OE2 GLU B 51 -11.291 4.782 -9.981 1.00 5.72 O ATOM 0 H GLU B 51 -10.215 6.621 -6.929 1.00 4.52 H new ATOM 0 HA GLU B 51 -12.413 5.159 -5.939 1.00 3.87 H new ATOM 0 HB2 GLU B 51 -9.771 4.607 -7.179 1.00 3.90 H new ATOM 0 HB3 GLU B 51 -10.374 3.321 -6.153 1.00 3.90 H new ATOM 0 HG2 GLU B 51 -11.094 2.866 -8.394 1.00 4.40 H new ATOM 0 HG3 GLU B 51 -12.508 3.319 -7.464 1.00 4.40 H new ATOM 1926 N LEU B 52 -9.721 5.250 -4.029 1.00 3.04 N ATOM 1927 CA LEU B 52 -9.200 4.928 -2.711 1.00 2.56 C ATOM 1928 C LEU B 52 -9.769 5.854 -1.640 1.00 3.06 C ATOM 1929 O LEU B 52 -9.833 5.481 -0.473 1.00 2.94 O ATOM 1930 CB LEU B 52 -7.672 4.982 -2.719 1.00 2.52 C ATOM 1931 CG LEU B 52 -7.005 4.022 -3.708 1.00 2.10 C ATOM 1932 CD1 LEU B 52 -5.496 4.162 -3.645 1.00 2.00 C ATOM 1933 CD2 LEU B 52 -7.421 2.584 -3.430 1.00 1.52 C ATOM 0 H LEU B 52 -9.063 5.739 -4.636 1.00 3.04 H new ATOM 0 HA LEU B 52 -9.515 3.914 -2.464 1.00 2.56 H new ATOM 0 HB2 LEU B 52 -7.359 5.999 -2.953 1.00 2.52 H new ATOM 0 HB3 LEU B 52 -7.308 4.760 -1.716 1.00 2.52 H new ATOM 0 HG LEU B 52 -7.336 4.282 -4.714 1.00 2.10 H new ATOM 0 HD11 LEU B 52 -5.037 3.473 -4.354 1.00 2.00 H new ATOM 0 HD12 LEU B 52 -5.215 5.184 -3.898 1.00 2.00 H new ATOM 0 HD13 LEU B 52 -5.151 3.930 -2.638 1.00 2.00 H new ATOM 0 HD21 LEU B 52 -6.935 1.920 -4.145 1.00 1.52 H new ATOM 0 HD22 LEU B 52 -7.124 2.308 -2.418 1.00 1.52 H new ATOM 0 HD23 LEU B 52 -8.503 2.493 -3.528 1.00 1.52 H new ATOM 1945 N ILE B 53 -10.192 7.050 -2.032 1.00 3.78 N ATOM 1946 CA ILE B 53 -10.851 7.955 -1.098 1.00 4.35 C ATOM 1947 C ILE B 53 -12.198 7.374 -0.672 1.00 4.05 C ATOM 1948 O ILE B 53 -12.577 7.452 0.496 1.00 4.19 O ATOM 1949 CB ILE B 53 -11.048 9.370 -1.694 1.00 5.19 C ATOM 1950 CG1 ILE B 53 -9.692 10.044 -1.918 1.00 5.56 C ATOM 1951 CG2 ILE B 53 -11.922 10.223 -0.781 1.00 5.75 C ATOM 1952 CD1 ILE B 53 -9.787 11.392 -2.604 1.00 6.40 C ATOM 0 H ILE B 53 -10.092 7.413 -2.980 1.00 3.78 H new ATOM 0 HA ILE B 53 -10.202 8.056 -0.228 1.00 4.35 H new ATOM 0 HB ILE B 53 -11.553 9.272 -2.655 1.00 5.19 H new ATOM 0 HG12 ILE B 53 -9.196 10.170 -0.956 1.00 5.56 H new ATOM 0 HG13 ILE B 53 -9.063 9.385 -2.517 1.00 5.56 H new ATOM 0 HG21 ILE B 53 -12.048 11.213 -1.219 1.00 5.75 H new ATOM 0 HG22 ILE B 53 -12.898 9.751 -0.666 1.00 5.75 H new ATOM 0 HG23 ILE B 53 -11.446 10.316 0.195 1.00 5.75 H new ATOM 0 HD11 ILE B 53 -8.787 11.808 -2.728 1.00 6.40 H new ATOM 0 HD12 ILE B 53 -10.254 11.271 -3.581 1.00 6.40 H new ATOM 0 HD13 ILE B 53 -10.388 12.068 -1.996 1.00 6.40 H new ATOM 1964 N ALA B 54 -12.910 6.770 -1.618 1.00 3.73 N ATOM 1965 CA ALA B 54 -14.158 6.086 -1.305 1.00 3.39 C ATOM 1966 C ALA B 54 -13.882 4.847 -0.460 1.00 2.66 C ATOM 1967 O ALA B 54 -14.623 4.534 0.479 1.00 2.59 O ATOM 1968 CB ALA B 54 -14.896 5.710 -2.579 1.00 3.40 C ATOM 0 H ALA B 54 -12.645 6.741 -2.603 1.00 3.73 H new ATOM 0 HA ALA B 54 -14.791 6.764 -0.732 1.00 3.39 H new ATOM 0 HB1 ALA B 54 -15.825 5.200 -2.324 1.00 3.40 H new ATOM 0 HB2 ALA B 54 -15.121 6.612 -3.149 1.00 3.40 H new ATOM 0 HB3 ALA B 54 -14.272 5.048 -3.179 1.00 3.40 H new ATOM 1974 N LEU B 55 -12.798 4.164 -0.796 1.00 2.23 N ATOM 1975 CA LEU B 55 -12.352 2.992 -0.057 1.00 1.71 C ATOM 1976 C LEU B 55 -11.980 3.386 1.377 1.00 2.33 C ATOM 1977 O LEU B 55 -12.187 2.627 2.316 1.00 2.46 O ATOM 1978 CB LEU B 55 -11.166 2.363 -0.806 1.00 1.30 C ATOM 1979 CG LEU B 55 -10.699 0.980 -0.334 1.00 1.02 C ATOM 1980 CD1 LEU B 55 -9.816 1.097 0.895 1.00 1.74 C ATOM 1981 CD2 LEU B 55 -11.889 0.073 -0.055 1.00 1.20 C ATOM 0 H LEU B 55 -12.203 4.406 -1.588 1.00 2.23 H new ATOM 0 HA LEU B 55 -13.152 2.254 0.010 1.00 1.71 H new ATOM 0 HB2 LEU B 55 -11.432 2.289 -1.860 1.00 1.30 H new ATOM 0 HB3 LEU B 55 -10.321 3.048 -0.738 1.00 1.30 H new ATOM 0 HG LEU B 55 -10.110 0.533 -1.135 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -9.498 0.103 1.210 1.00 1.74 H new ATOM 0 HD12 LEU B 55 -8.940 1.700 0.657 1.00 1.74 H new ATOM 0 HD13 LEU B 55 -10.375 1.572 1.701 1.00 1.74 H new ATOM 0 HD21 LEU B 55 -11.533 -0.902 0.278 1.00 1.20 H new ATOM 0 HD22 LEU B 55 -12.511 0.517 0.722 1.00 1.20 H new ATOM 0 HD23 LEU B 55 -12.476 -0.047 -0.965 1.00 1.20 H new ATOM 1993 N LEU B 56 -11.430 4.580 1.531 1.00 2.95 N ATOM 1994 CA LEU B 56 -11.137 5.135 2.846 1.00 3.69 C ATOM 1995 C LEU B 56 -12.424 5.566 3.542 1.00 4.03 C ATOM 1996 O LEU B 56 -12.584 5.383 4.749 1.00 4.45 O ATOM 1997 CB LEU B 56 -10.188 6.331 2.703 1.00 4.26 C ATOM 1998 CG LEU B 56 -10.096 7.258 3.919 1.00 5.04 C ATOM 1999 CD1 LEU B 56 -9.578 6.515 5.140 1.00 5.31 C ATOM 2000 CD2 LEU B 56 -9.203 8.448 3.605 1.00 5.56 C ATOM 0 H LEU B 56 -11.175 5.190 0.754 1.00 2.95 H new ATOM 0 HA LEU B 56 -10.657 4.367 3.453 1.00 3.69 H new ATOM 0 HB2 LEU B 56 -9.190 5.954 2.481 1.00 4.26 H new ATOM 0 HB3 LEU B 56 -10.505 6.921 1.843 1.00 4.26 H new ATOM 0 HG LEU B 56 -11.099 7.618 4.147 1.00 5.04 H new ATOM 0 HD11 LEU B 56 -9.524 7.199 5.987 1.00 5.31 H new ATOM 0 HD12 LEU B 56 -10.253 5.694 5.380 1.00 5.31 H new ATOM 0 HD13 LEU B 56 -8.585 6.118 4.930 1.00 5.31 H new ATOM 0 HD21 LEU B 56 -9.145 9.100 4.477 1.00 5.56 H new ATOM 0 HD22 LEU B 56 -8.204 8.096 3.349 1.00 5.56 H new ATOM 0 HD23 LEU B 56 -9.619 9.003 2.764 1.00 5.56 H new ATOM 2012 N ARG B 57 -13.341 6.128 2.766 1.00 3.93 N ATOM 2013 CA ARG B 57 -14.601 6.641 3.287 1.00 4.27 C ATOM 2014 C ARG B 57 -15.397 5.562 4.028 1.00 3.92 C ATOM 2015 O ARG B 57 -16.148 5.872 4.953 1.00 4.30 O ATOM 2016 CB ARG B 57 -15.429 7.243 2.144 1.00 4.32 C ATOM 2017 CG ARG B 57 -16.828 7.682 2.544 1.00 4.80 C ATOM 2018 CD ARG B 57 -17.478 8.535 1.462 1.00 5.19 C ATOM 2019 NE ARG B 57 -17.396 7.921 0.132 1.00 5.85 N ATOM 2020 CZ ARG B 57 -17.877 8.491 -0.979 1.00 6.39 C ATOM 2021 NH1 ARG B 57 -18.545 9.635 -0.905 1.00 6.40 N ATOM 2022 NH2 ARG B 57 -17.708 7.904 -2.164 1.00 7.19 N ATOM 0 H ARG B 57 -13.233 6.241 1.758 1.00 3.93 H new ATOM 0 HA ARG B 57 -14.373 7.421 4.014 1.00 4.27 H new ATOM 0 HB2 ARG B 57 -14.894 8.102 1.738 1.00 4.32 H new ATOM 0 HB3 ARG B 57 -15.507 6.508 1.343 1.00 4.32 H new ATOM 0 HG2 ARG B 57 -17.445 6.804 2.736 1.00 4.80 H new ATOM 0 HG3 ARG B 57 -16.781 8.247 3.475 1.00 4.80 H new ATOM 0 HD2 ARG B 57 -18.525 8.702 1.717 1.00 5.19 H new ATOM 0 HD3 ARG B 57 -16.996 9.512 1.437 1.00 5.19 H new ATOM 0 HE ARG B 57 -16.947 7.009 0.050 1.00 5.85 H new ATOM 0 HH11 ARG B 57 -18.693 10.082 0.000 1.00 6.40 H new ATOM 0 HH12 ARG B 57 -18.911 10.068 -1.753 1.00 6.40 H new ATOM 0 HH21 ARG B 57 -17.210 7.016 -2.227 1.00 7.19 H new ATOM 0 HH22 ARG B 57 -18.077 8.343 -3.008 1.00 7.19 H new ATOM 2036 N GLN B 58 -15.221 4.296 3.640 1.00 3.27 N ATOM 2037 CA GLN B 58 -15.907 3.195 4.327 1.00 3.16 C ATOM 2038 C GLN B 58 -15.499 3.133 5.805 1.00 3.92 C ATOM 2039 O GLN B 58 -16.260 2.657 6.645 1.00 4.23 O ATOM 2040 CB GLN B 58 -15.609 1.842 3.668 1.00 2.58 C ATOM 2041 CG GLN B 58 -14.218 1.306 3.972 1.00 2.73 C ATOM 2042 CD GLN B 58 -14.063 -0.163 3.639 1.00 2.46 C ATOM 2043 OE1 GLN B 58 -15.014 -0.938 3.731 1.00 2.60 O ATOM 2044 NE2 GLN B 58 -12.860 -0.555 3.253 1.00 2.44 N ATOM 0 H GLN B 58 -14.620 4.009 2.867 1.00 3.27 H new ATOM 0 HA GLN B 58 -16.976 3.394 4.251 1.00 3.16 H new ATOM 0 HB2 GLN B 58 -16.350 1.115 4.001 1.00 2.58 H new ATOM 0 HB3 GLN B 58 -15.723 1.941 2.588 1.00 2.58 H new ATOM 0 HG2 GLN B 58 -13.483 1.880 3.408 1.00 2.73 H new ATOM 0 HG3 GLN B 58 -13.999 1.458 5.029 1.00 2.73 H new ATOM 0 HE21 GLN B 58 -12.099 0.121 3.190 1.00 2.44 H new ATOM 0 HE22 GLN B 58 -12.693 -1.533 3.018 1.00 2.44 H new ATOM 2053 N LEU B 59 -14.302 3.624 6.107 1.00 4.30 N ATOM 2054 CA LEU B 59 -13.763 3.573 7.461 1.00 5.09 C ATOM 2055 C LEU B 59 -14.177 4.798 8.260 1.00 5.75 C ATOM 2056 O LEU B 59 -13.930 4.880 9.462 1.00 6.46 O ATOM 2057 CB LEU B 59 -12.235 3.483 7.423 1.00 5.21 C ATOM 2058 CG LEU B 59 -11.663 2.257 6.711 1.00 4.98 C ATOM 2059 CD1 LEU B 59 -10.144 2.322 6.689 1.00 5.21 C ATOM 2060 CD2 LEU B 59 -12.137 0.974 7.383 1.00 5.36 C ATOM 0 H LEU B 59 -13.683 4.065 5.427 1.00 4.30 H new ATOM 0 HA LEU B 59 -14.167 2.685 7.947 1.00 5.09 H new ATOM 0 HB2 LEU B 59 -11.848 4.378 6.935 1.00 5.21 H new ATOM 0 HB3 LEU B 59 -11.863 3.493 8.447 1.00 5.21 H new ATOM 0 HG LEU B 59 -12.025 2.254 5.683 1.00 4.98 H new ATOM 0 HD11 LEU B 59 -9.750 1.443 6.179 1.00 5.21 H new ATOM 0 HD12 LEU B 59 -9.826 3.221 6.161 1.00 5.21 H new ATOM 0 HD13 LEU B 59 -9.766 2.349 7.711 1.00 5.21 H new ATOM 0 HD21 LEU B 59 -11.719 0.114 6.861 1.00 5.36 H new ATOM 0 HD22 LEU B 59 -11.807 0.964 8.422 1.00 5.36 H new ATOM 0 HD23 LEU B 59 -13.225 0.926 7.348 1.00 5.36 H new