USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 281 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 9 TYR OH : rot -142:sc= 1.28 USER MOD Single : A 17 GLN : amide:sc= -0.0136 K(o=-0.014,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0.995 K(o=1,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -2.14! C(o=-2.1!,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 -6.762 2.621 0.796 1.00 0.00 N ATOM 58 CA PRO A 5 -5.521 1.849 0.798 1.00 0.00 C ATOM 59 C PRO A 5 -5.577 0.566 1.624 1.00 0.00 C ATOM 60 O PRO A 5 -5.249 -0.516 1.112 1.00 0.00 O ATOM 61 CB PRO A 5 -4.478 2.825 1.364 1.00 0.00 C ATOM 62 CG PRO A 5 -5.257 3.910 2.011 1.00 0.00 C ATOM 63 CD PRO A 5 -6.539 4.001 1.263 1.00 0.00 C ATOM 0 HA PRO A 5 -5.292 1.492 -0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.826 2.329 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.840 3.219 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.435 3.688 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.715 4.855 1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.353 4.345 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.469 4.701 0.430 1.00 0.00 H new ATOM 71 N ARG A 6 -6.042 0.662 2.862 1.00 0.00 N ATOM 72 CA ARG A 6 -6.047 -0.489 3.739 1.00 0.00 C ATOM 73 C ARG A 6 -7.206 -1.406 3.398 1.00 0.00 C ATOM 74 O ARG A 6 -7.103 -2.625 3.538 1.00 0.00 O ATOM 75 CB ARG A 6 -6.090 -0.096 5.224 1.00 0.00 C ATOM 76 CG ARG A 6 -5.993 -1.299 6.153 1.00 0.00 C ATOM 77 CD ARG A 6 -6.105 -0.919 7.609 1.00 0.00 C ATOM 78 NE ARG A 6 -6.001 -2.105 8.468 1.00 0.00 N ATOM 79 CZ ARG A 6 -6.130 -2.116 9.796 1.00 0.00 C ATOM 80 NH1 ARG A 6 -6.323 -0.983 10.461 1.00 0.00 N ATOM 81 NH2 ARG A 6 -6.044 -3.268 10.455 1.00 0.00 N ATOM 0 H ARG A 6 -6.416 1.517 3.274 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.109 -1.020 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.271 0.590 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.017 0.441 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.782 -2.009 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.043 -1.807 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.319 -0.209 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.057 -0.418 7.786 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.814 -2.997 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.373 -0.098 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.421 -0.998 11.476 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.880 -4.136 9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.142 -3.283 11.470 1.00 0.00 H new ATOM 95 N ALA A 7 -8.287 -0.827 2.916 1.00 0.00 N ATOM 96 CA ALA A 7 -9.449 -1.597 2.531 1.00 0.00 C ATOM 97 C ALA A 7 -9.080 -2.550 1.409 1.00 0.00 C ATOM 98 O ALA A 7 -9.356 -3.749 1.485 1.00 0.00 O ATOM 99 CB ALA A 7 -10.584 -0.687 2.113 1.00 0.00 C ATOM 0 H ALA A 7 -8.384 0.179 2.782 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.789 -2.176 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.447 -1.289 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.854 -0.037 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.269 -0.079 1.265 1.00 0.00 H new ATOM 105 N GLU A 8 -8.414 -2.013 0.390 1.00 0.00 N ATOM 106 CA GLU A 8 -7.933 -2.812 -0.733 1.00 0.00 C ATOM 107 C GLU A 8 -6.888 -3.805 -0.247 1.00 0.00 C ATOM 108 O GLU A 8 -6.865 -4.945 -0.679 1.00 0.00 O ATOM 109 CB GLU A 8 -7.303 -1.925 -1.785 1.00 0.00 C ATOM 110 CG GLU A 8 -8.217 -0.883 -2.384 1.00 0.00 C ATOM 111 CD GLU A 8 -7.452 0.010 -3.305 1.00 0.00 C ATOM 112 OE1 GLU A 8 -6.788 0.933 -2.830 1.00 0.00 O ATOM 113 OE2 GLU A 8 -7.422 -0.241 -4.530 1.00 0.00 O ATOM 0 H GLU A 8 -8.194 -1.020 0.319 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.783 -3.340 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.444 -1.420 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.923 -2.556 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.027 -1.369 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.675 -0.292 -1.591 1.00 0.00 H new ATOM 120 N TYR A 9 -6.035 -3.347 0.666 1.00 0.00 N ATOM 121 CA TYR A 9 -4.980 -4.164 1.280 1.00 0.00 C ATOM 122 C TYR A 9 -5.559 -5.440 1.880 1.00 0.00 C ATOM 123 O TYR A 9 -5.084 -6.545 1.606 1.00 0.00 O ATOM 124 CB TYR A 9 -4.272 -3.348 2.375 1.00 0.00 C ATOM 125 CG TYR A 9 -3.196 -4.076 3.143 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.441 -4.562 4.420 1.00 0.00 C ATOM 127 CD2 TYR A 9 -1.942 -4.276 2.596 1.00 0.00 C ATOM 128 CE1 TYR A 9 -2.468 -5.228 5.126 1.00 0.00 C ATOM 129 CE2 TYR A 9 -0.961 -4.939 3.295 1.00 0.00 C ATOM 130 CZ TYR A 9 -1.228 -5.415 4.565 1.00 0.00 C ATOM 131 OH TYR A 9 -0.259 -6.095 5.276 1.00 0.00 O ATOM 0 H TYR A 9 -6.054 -2.386 1.008 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.264 -4.444 0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.829 -2.465 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.023 -2.996 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.413 -4.414 4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.730 -3.906 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.677 -5.603 6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.014 -5.087 2.854 1.00 0.00 H new ATOM 0 HH TYR A 9 0.614 -5.678 5.120 1.00 0.00 H new ATOM 141 N GLU A 10 -6.592 -5.284 2.674 1.00 0.00 N ATOM 142 CA GLU A 10 -7.206 -6.408 3.324 1.00 0.00 C ATOM 143 C GLU A 10 -7.988 -7.274 2.360 1.00 0.00 C ATOM 144 O GLU A 10 -7.996 -8.492 2.501 1.00 0.00 O ATOM 145 CB GLU A 10 -8.030 -5.983 4.518 1.00 0.00 C ATOM 146 CG GLU A 10 -7.186 -5.334 5.591 1.00 0.00 C ATOM 147 CD GLU A 10 -7.935 -5.088 6.855 1.00 0.00 C ATOM 148 OE1 GLU A 10 -7.813 -5.907 7.797 1.00 0.00 O ATOM 149 OE2 GLU A 10 -8.637 -4.086 6.953 1.00 0.00 O ATOM 0 H GLU A 10 -7.023 -4.384 2.883 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.399 -7.034 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.803 -5.286 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.539 -6.852 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.327 -5.970 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.797 -4.387 5.216 1.00 0.00 H new ATOM 156 N VAL A 11 -8.614 -6.665 1.357 1.00 0.00 N ATOM 157 CA VAL A 11 -9.305 -7.446 0.334 1.00 0.00 C ATOM 158 C VAL A 11 -8.272 -8.251 -0.468 1.00 0.00 C ATOM 159 O VAL A 11 -8.506 -9.402 -0.812 1.00 0.00 O ATOM 160 CB VAL A 11 -10.191 -6.574 -0.616 1.00 0.00 C ATOM 161 CG1 VAL A 11 -10.872 -7.439 -1.675 1.00 0.00 C ATOM 162 CG2 VAL A 11 -11.250 -5.828 0.180 1.00 0.00 C ATOM 0 H VAL A 11 -8.658 -5.654 1.230 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.993 -8.120 0.844 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.538 -5.856 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.482 -6.809 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.115 -7.947 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.506 -8.179 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.857 -5.226 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.887 -6.544 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.766 -5.178 0.909 1.00 0.00 H new ATOM 172 N CYS A 12 -7.114 -7.639 -0.708 1.00 0.00 N ATOM 173 CA CYS A 12 -5.980 -8.300 -1.355 1.00 0.00 C ATOM 174 C CYS A 12 -5.605 -9.568 -0.589 1.00 0.00 C ATOM 175 O CYS A 12 -5.412 -10.643 -1.190 1.00 0.00 O ATOM 176 CB CYS A 12 -4.769 -7.344 -1.436 1.00 0.00 C ATOM 177 SG CYS A 12 -3.215 -8.111 -2.023 1.00 0.00 S ATOM 0 H CYS A 12 -6.934 -6.666 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.270 -8.574 -2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.022 -6.517 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.595 -6.918 -0.448 1.00 0.00 H new ATOM 182 N ARG A 13 -5.543 -9.451 0.738 1.00 0.00 N ATOM 183 CA ARG A 13 -5.244 -10.586 1.601 1.00 0.00 C ATOM 184 C ARG A 13 -6.360 -11.609 1.466 1.00 0.00 C ATOM 185 O ARG A 13 -6.107 -12.751 1.136 1.00 0.00 O ATOM 186 CB ARG A 13 -5.141 -10.152 3.073 1.00 0.00 C ATOM 187 CG ARG A 13 -4.152 -9.031 3.344 1.00 0.00 C ATOM 188 CD ARG A 13 -4.151 -8.620 4.815 1.00 0.00 C ATOM 189 NE ARG A 13 -3.620 -9.658 5.718 1.00 0.00 N ATOM 190 CZ ARG A 13 -4.128 -9.977 6.918 1.00 0.00 C ATOM 191 NH1 ARG A 13 -5.350 -9.584 7.272 1.00 0.00 N ATOM 192 NH2 ARG A 13 -3.425 -10.739 7.730 1.00 0.00 N ATOM 0 H ARG A 13 -5.697 -8.575 1.237 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.287 -11.012 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.127 -9.836 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.859 -11.018 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.151 -9.352 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.401 -8.169 2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.558 -7.713 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.170 -8.375 5.116 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.799 -10.176 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.915 -9.032 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.721 -9.835 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.507 -11.079 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.799 -10.990 8.645 1.00 0.00 H new ATOM 206 N LEU A 14 -7.600 -11.151 1.660 1.00 0.00 N ATOM 207 CA LEU A 14 -8.802 -12.001 1.615 1.00 0.00 C ATOM 208 C LEU A 14 -8.916 -12.794 0.316 1.00 0.00 C ATOM 209 O LEU A 14 -9.329 -13.950 0.334 1.00 0.00 O ATOM 210 CB LEU A 14 -10.075 -11.174 1.842 1.00 0.00 C ATOM 211 CG LEU A 14 -10.222 -10.507 3.215 1.00 0.00 C ATOM 212 CD1 LEU A 14 -11.472 -9.645 3.259 1.00 0.00 C ATOM 213 CD2 LEU A 14 -10.264 -11.549 4.320 1.00 0.00 C ATOM 0 H LEU A 14 -7.804 -10.171 1.855 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.696 -12.721 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.118 -10.397 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.936 -11.823 1.684 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.352 -9.870 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.559 -9.180 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.407 -8.870 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.349 -10.265 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.369 -11.052 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.112 -12.214 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.341 -12.129 4.309 1.00 0.00 H new ATOM 225 N ARG A 15 -8.560 -12.175 -0.805 1.00 0.00 N ATOM 226 CA ARG A 15 -8.554 -12.864 -2.096 1.00 0.00 C ATOM 227 C ARG A 15 -7.660 -14.078 -2.025 1.00 0.00 C ATOM 228 O ARG A 15 -8.093 -15.209 -2.258 1.00 0.00 O ATOM 229 CB ARG A 15 -8.046 -11.950 -3.217 1.00 0.00 C ATOM 230 CG ARG A 15 -8.936 -10.771 -3.551 1.00 0.00 C ATOM 231 CD ARG A 15 -10.300 -11.226 -4.006 1.00 0.00 C ATOM 232 NE ARG A 15 -11.146 -10.109 -4.401 1.00 0.00 N ATOM 233 CZ ARG A 15 -12.469 -10.181 -4.567 1.00 0.00 C ATOM 234 NH1 ARG A 15 -13.111 -11.329 -4.362 1.00 0.00 N ATOM 235 NH2 ARG A 15 -13.141 -9.108 -4.935 1.00 0.00 N ATOM 0 H ARG A 15 -8.271 -11.198 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.580 -13.157 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.063 -11.573 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.913 -12.549 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.037 -10.130 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.471 -10.171 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.191 -11.913 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.784 -11.780 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.696 -9.208 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.592 -12.160 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.122 -11.378 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.650 -8.228 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.152 -9.158 -5.063 1.00 0.00 H new ATOM 249 N CYS A 16 -6.447 -13.841 -1.622 1.00 0.00 N ATOM 250 CA CYS A 16 -5.442 -14.859 -1.558 1.00 0.00 C ATOM 251 C CYS A 16 -5.712 -15.865 -0.455 1.00 0.00 C ATOM 252 O CYS A 16 -5.503 -17.047 -0.647 1.00 0.00 O ATOM 253 CB CYS A 16 -4.092 -14.204 -1.400 1.00 0.00 C ATOM 254 SG CYS A 16 -3.718 -13.084 -2.779 1.00 0.00 S ATOM 0 H CYS A 16 -6.123 -12.921 -1.324 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.460 -15.428 -2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.066 -13.648 -0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.321 -14.972 -1.336 1.00 0.00 H new ATOM 259 N GLN A 17 -6.218 -15.397 0.676 1.00 0.00 N ATOM 260 CA GLN A 17 -6.517 -16.257 1.816 1.00 0.00 C ATOM 261 C GLN A 17 -7.634 -17.230 1.510 1.00 0.00 C ATOM 262 O GLN A 17 -7.696 -18.304 2.092 1.00 0.00 O ATOM 263 CB GLN A 17 -6.858 -15.440 3.065 1.00 0.00 C ATOM 264 CG GLN A 17 -5.705 -14.608 3.603 1.00 0.00 C ATOM 265 CD GLN A 17 -6.095 -13.792 4.815 1.00 0.00 C ATOM 266 OE1 GLN A 17 -7.242 -13.388 4.962 1.00 0.00 O ATOM 267 NE2 GLN A 17 -5.158 -13.537 5.679 1.00 0.00 N ATOM 0 H GLN A 17 -6.433 -14.412 0.831 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.612 -16.831 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.692 -14.777 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.197 -16.119 3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.877 -15.267 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.347 -13.940 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.213 -13.889 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.368 -12.985 6.511 1.00 0.00 H new ATOM 276 N VAL A 18 -8.523 -16.855 0.620 1.00 0.00 N ATOM 277 CA VAL A 18 -9.602 -17.736 0.250 1.00 0.00 C ATOM 278 C VAL A 18 -9.216 -18.598 -0.956 1.00 0.00 C ATOM 279 O VAL A 18 -9.393 -19.822 -0.934 1.00 0.00 O ATOM 280 CB VAL A 18 -10.931 -16.970 -0.017 1.00 0.00 C ATOM 281 CG1 VAL A 18 -12.039 -17.926 -0.432 1.00 0.00 C ATOM 282 CG2 VAL A 18 -11.361 -16.199 1.226 1.00 0.00 C ATOM 0 H VAL A 18 -8.520 -15.953 0.143 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.780 -18.392 1.102 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.752 -16.268 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.956 -17.364 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.747 -18.447 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.209 -18.653 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.292 -15.669 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.513 -16.895 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.586 -15.481 1.495 1.00 0.00 H new ATOM 292 N ALA A 19 -8.647 -17.981 -1.978 1.00 0.00 N ATOM 293 CA ALA A 19 -8.297 -18.695 -3.206 1.00 0.00 C ATOM 294 C ALA A 19 -7.133 -19.667 -3.001 1.00 0.00 C ATOM 295 O ALA A 19 -7.206 -20.834 -3.412 1.00 0.00 O ATOM 296 CB ALA A 19 -7.980 -17.715 -4.325 1.00 0.00 C ATOM 0 H ALA A 19 -8.415 -16.988 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.167 -19.288 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.722 -18.266 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.851 -17.089 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.139 -17.087 -4.031 1.00 0.00 H new ATOM 302 N GLU A 20 -6.096 -19.205 -2.349 1.00 0.00 N ATOM 303 CA GLU A 20 -4.895 -19.982 -2.144 1.00 0.00 C ATOM 304 C GLU A 20 -4.852 -20.568 -0.760 1.00 0.00 C ATOM 305 O GLU A 20 -5.198 -19.903 0.214 1.00 0.00 O ATOM 306 CB GLU A 20 -3.652 -19.117 -2.363 1.00 0.00 C ATOM 307 CG GLU A 20 -3.425 -18.711 -3.801 1.00 0.00 C ATOM 308 CD GLU A 20 -3.205 -19.915 -4.671 1.00 0.00 C ATOM 309 OE1 GLU A 20 -4.070 -20.219 -5.518 1.00 0.00 O ATOM 310 OE2 GLU A 20 -2.187 -20.619 -4.477 1.00 0.00 O ATOM 0 H GLU A 20 -6.059 -18.271 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.906 -20.796 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.737 -18.218 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.777 -19.662 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.285 -18.148 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.561 -18.049 -3.864 1.00 0.00 H new ATOM 317 N ARG A 21 -4.428 -21.800 -0.666 1.00 0.00 N ATOM 318 CA ARG A 21 -4.276 -22.439 0.625 1.00 0.00 C ATOM 319 C ARG A 21 -2.800 -22.563 0.965 1.00 0.00 C ATOM 320 O ARG A 21 -2.404 -23.319 1.863 1.00 0.00 O ATOM 321 CB ARG A 21 -4.984 -23.803 0.681 1.00 0.00 C ATOM 322 CG ARG A 21 -4.496 -24.838 -0.316 1.00 0.00 C ATOM 323 CD ARG A 21 -5.266 -26.145 -0.160 1.00 0.00 C ATOM 324 NE ARG A 21 -6.701 -25.982 -0.447 1.00 0.00 N ATOM 325 CZ ARG A 21 -7.697 -26.692 0.121 1.00 0.00 C ATOM 326 NH1 ARG A 21 -7.436 -27.584 1.077 1.00 0.00 N ATOM 327 NH2 ARG A 21 -8.952 -26.493 -0.267 1.00 0.00 N ATOM 0 H ARG A 21 -4.181 -22.385 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.758 -21.812 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.869 -24.210 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.051 -23.645 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.617 -24.458 -1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.431 -25.018 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.846 -26.895 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.141 -26.520 0.856 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.963 -25.273 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.476 -27.735 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.197 -28.116 1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.159 -25.806 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.709 -27.028 0.160 1.00 0.00 H new ATOM 341 N GLY A 22 -1.989 -21.817 0.240 1.00 0.00 N ATOM 342 CA GLY A 22 -0.587 -21.788 0.507 1.00 0.00 C ATOM 343 C GLY A 22 -0.213 -20.509 1.209 1.00 0.00 C ATOM 344 O GLY A 22 -0.670 -19.411 0.811 1.00 0.00 O ATOM 0 H GLY A 22 -2.289 -21.227 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.310 -22.643 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.031 -21.874 -0.426 1.00 0.00 H new ATOM 348 N VAL A 23 0.636 -20.632 2.201 1.00 0.00 N ATOM 349 CA VAL A 23 1.043 -19.517 3.029 1.00 0.00 C ATOM 350 C VAL A 23 1.863 -18.515 2.235 1.00 0.00 C ATOM 351 O VAL A 23 1.625 -17.321 2.320 1.00 0.00 O ATOM 352 CB VAL A 23 1.834 -19.993 4.285 1.00 0.00 C ATOM 353 CG1 VAL A 23 2.298 -18.813 5.130 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.975 -20.921 5.127 1.00 0.00 C ATOM 0 H VAL A 23 1.070 -21.518 2.461 1.00 0.00 H new ATOM 0 HA VAL A 23 0.134 -19.023 3.372 1.00 0.00 H new ATOM 0 HB VAL A 23 2.716 -20.531 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.846 -19.180 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.948 -18.172 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.432 -18.241 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.539 -21.246 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.078 -20.393 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.691 -21.791 4.535 1.00 0.00 H new ATOM 364 N GLU A 24 2.789 -19.005 1.425 1.00 0.00 N ATOM 365 CA GLU A 24 3.647 -18.125 0.648 1.00 0.00 C ATOM 366 C GLU A 24 2.887 -17.294 -0.357 1.00 0.00 C ATOM 367 O GLU A 24 3.210 -16.139 -0.542 1.00 0.00 O ATOM 368 CB GLU A 24 4.799 -18.858 -0.016 1.00 0.00 C ATOM 369 CG GLU A 24 5.891 -19.275 0.944 1.00 0.00 C ATOM 370 CD GLU A 24 6.537 -18.091 1.640 1.00 0.00 C ATOM 371 OE1 GLU A 24 7.365 -17.396 1.026 1.00 0.00 O ATOM 372 OE2 GLU A 24 6.264 -17.861 2.825 1.00 0.00 O ATOM 0 H GLU A 24 2.965 -20.001 1.289 1.00 0.00 H new ATOM 0 HA GLU A 24 4.076 -17.437 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.412 -19.744 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.230 -18.217 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.474 -19.949 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.654 -19.834 0.401 1.00 0.00 H new ATOM 379 N GLN A 25 1.865 -17.859 -0.990 1.00 0.00 N ATOM 380 CA GLN A 25 1.088 -17.080 -1.952 1.00 0.00 C ATOM 381 C GLN A 25 0.375 -15.951 -1.253 1.00 0.00 C ATOM 382 O GLN A 25 0.438 -14.807 -1.695 1.00 0.00 O ATOM 383 CB GLN A 25 0.086 -17.905 -2.776 1.00 0.00 C ATOM 384 CG GLN A 25 0.707 -18.965 -3.667 1.00 0.00 C ATOM 385 CD GLN A 25 1.029 -20.239 -2.932 1.00 0.00 C ATOM 386 OE1 GLN A 25 2.112 -20.397 -2.362 1.00 0.00 O ATOM 387 NE2 GLN A 25 0.116 -21.168 -2.973 1.00 0.00 N ATOM 0 H GLN A 25 1.560 -18.824 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 25 1.812 -16.689 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.612 -18.389 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.497 -17.225 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.024 -19.188 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.620 -18.568 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.766 -20.995 -3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.283 -22.068 -2.523 1.00 0.00 H new ATOM 396 N GLN A 26 -0.258 -16.270 -0.129 1.00 0.00 N ATOM 397 CA GLN A 26 -0.951 -15.273 0.677 1.00 0.00 C ATOM 398 C GLN A 26 0.035 -14.233 1.193 1.00 0.00 C ATOM 399 O GLN A 26 -0.231 -13.040 1.141 1.00 0.00 O ATOM 400 CB GLN A 26 -1.668 -15.940 1.844 1.00 0.00 C ATOM 401 CG GLN A 26 -2.806 -16.865 1.445 1.00 0.00 C ATOM 402 CD GLN A 26 -3.426 -17.547 2.645 1.00 0.00 C ATOM 403 OE1 GLN A 26 -3.400 -17.016 3.747 1.00 0.00 O ATOM 404 NE2 GLN A 26 -4.048 -18.676 2.440 1.00 0.00 N ATOM 0 H GLN A 26 -0.305 -17.218 0.246 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.691 -14.775 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.940 -16.510 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.061 -15.165 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.570 -16.294 0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.435 -17.619 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.052 -19.094 1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.530 -19.140 3.210 1.00 0.00 H new ATOM 413 N ARG A 27 1.175 -14.698 1.643 1.00 0.00 N ATOM 414 CA ARG A 27 2.225 -13.851 2.156 1.00 0.00 C ATOM 415 C ARG A 27 2.779 -12.923 1.075 1.00 0.00 C ATOM 416 O ARG A 27 2.964 -11.733 1.317 1.00 0.00 O ATOM 417 CB ARG A 27 3.311 -14.713 2.788 1.00 0.00 C ATOM 418 CG ARG A 27 4.507 -13.964 3.298 1.00 0.00 C ATOM 419 CD ARG A 27 5.396 -14.873 4.101 1.00 0.00 C ATOM 420 NE ARG A 27 4.762 -15.293 5.368 1.00 0.00 N ATOM 421 CZ ARG A 27 5.009 -16.446 5.998 1.00 0.00 C ATOM 422 NH1 ARG A 27 5.659 -17.421 5.381 1.00 0.00 N ATOM 423 NH2 ARG A 27 4.530 -16.653 7.216 1.00 0.00 N ATOM 0 H ARG A 27 1.403 -15.692 1.664 1.00 0.00 H new ATOM 0 HA ARG A 27 1.811 -13.202 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.873 -15.272 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.647 -15.443 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.066 -13.546 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.183 -13.126 3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.641 -15.755 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.335 -14.363 4.317 1.00 0.00 H new ATOM 0 HE ARG A 27 4.087 -14.657 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.975 -17.295 4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.844 -18.298 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.972 -15.932 7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.719 -17.533 7.696 1.00 0.00 H new ATOM 437 N LYS A 28 3.010 -13.456 -0.124 1.00 0.00 N ATOM 438 CA LYS A 28 3.466 -12.636 -1.246 1.00 0.00 C ATOM 439 C LYS A 28 2.405 -11.615 -1.616 1.00 0.00 C ATOM 440 O LYS A 28 2.722 -10.489 -1.965 1.00 0.00 O ATOM 441 CB LYS A 28 3.857 -13.482 -2.464 1.00 0.00 C ATOM 442 CG LYS A 28 5.100 -14.342 -2.254 1.00 0.00 C ATOM 443 CD LYS A 28 5.438 -15.187 -3.484 1.00 0.00 C ATOM 444 CE LYS A 28 5.750 -14.330 -4.704 1.00 0.00 C ATOM 445 NZ LYS A 28 6.170 -15.144 -5.865 1.00 0.00 N ATOM 0 H LYS A 28 2.890 -14.445 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 28 4.366 -12.112 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.021 -14.130 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.026 -12.820 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.947 -13.699 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.945 -14.998 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.294 -15.824 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.601 -15.847 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.869 -13.746 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.539 -13.620 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.372 -14.520 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.026 -15.682 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.408 -15.804 -6.120 1.00 0.00 H new ATOM 459 N CYS A 29 1.143 -12.012 -1.503 1.00 0.00 N ATOM 460 CA CYS A 29 0.022 -11.106 -1.721 1.00 0.00 C ATOM 461 C CYS A 29 0.095 -9.937 -0.757 1.00 0.00 C ATOM 462 O CYS A 29 -0.040 -8.775 -1.162 1.00 0.00 O ATOM 463 CB CYS A 29 -1.308 -11.832 -1.540 1.00 0.00 C ATOM 464 SG CYS A 29 -1.707 -13.037 -2.832 1.00 0.00 S ATOM 0 H CYS A 29 0.869 -12.964 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 29 0.084 -10.736 -2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.297 -12.344 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.106 -11.091 -1.497 1.00 0.00 H new ATOM 469 N GLU A 30 0.343 -10.246 0.511 1.00 0.00 N ATOM 470 CA GLU A 30 0.454 -9.238 1.535 1.00 0.00 C ATOM 471 C GLU A 30 1.627 -8.333 1.231 1.00 0.00 C ATOM 472 O GLU A 30 1.475 -7.136 1.228 1.00 0.00 O ATOM 473 CB GLU A 30 0.582 -9.872 2.921 1.00 0.00 C ATOM 474 CG GLU A 30 -0.576 -10.794 3.259 1.00 0.00 C ATOM 475 CD GLU A 30 -0.473 -11.415 4.617 1.00 0.00 C ATOM 476 OE1 GLU A 30 -1.287 -11.080 5.504 1.00 0.00 O ATOM 477 OE2 GLU A 30 0.407 -12.266 4.838 1.00 0.00 O ATOM 0 H GLU A 30 0.471 -11.200 0.847 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.456 -8.638 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.514 -10.434 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.643 -9.084 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.507 -10.231 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.630 -11.585 2.511 1.00 0.00 H new ATOM 484 N GLN A 31 2.768 -8.934 0.903 1.00 0.00 N ATOM 485 CA GLN A 31 3.986 -8.204 0.535 1.00 0.00 C ATOM 486 C GLN A 31 3.752 -7.240 -0.627 1.00 0.00 C ATOM 487 O GLN A 31 3.965 -6.043 -0.481 1.00 0.00 O ATOM 488 CB GLN A 31 5.108 -9.173 0.181 1.00 0.00 C ATOM 489 CG GLN A 31 5.668 -9.938 1.362 1.00 0.00 C ATOM 490 CD GLN A 31 6.617 -11.037 0.943 1.00 0.00 C ATOM 491 OE1 GLN A 31 7.271 -10.956 -0.094 1.00 0.00 O ATOM 492 NE2 GLN A 31 6.719 -12.050 1.750 1.00 0.00 N ATOM 0 H GLN A 31 2.878 -9.948 0.884 1.00 0.00 H new ATOM 0 HA GLN A 31 4.276 -7.615 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.737 -9.886 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.917 -8.616 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.188 -9.247 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.846 -10.370 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.159 -12.082 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.359 -12.814 1.532 1.00 0.00 H new ATOM 501 N VAL A 32 3.278 -7.763 -1.760 1.00 0.00 N ATOM 502 CA VAL A 32 3.035 -6.953 -2.967 1.00 0.00 C ATOM 503 C VAL A 32 2.055 -5.815 -2.679 1.00 0.00 C ATOM 504 O VAL A 32 2.300 -4.648 -3.032 1.00 0.00 O ATOM 505 CB VAL A 32 2.514 -7.822 -4.158 1.00 0.00 C ATOM 506 CG1 VAL A 32 2.143 -6.960 -5.362 1.00 0.00 C ATOM 507 CG2 VAL A 32 3.563 -8.843 -4.568 1.00 0.00 C ATOM 0 H VAL A 32 3.052 -8.751 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 32 3.994 -6.525 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 32 1.617 -8.338 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.785 -7.598 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.358 -6.258 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.020 -6.407 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.185 -9.440 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.472 -8.327 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.785 -9.495 -3.724 1.00 0.00 H new ATOM 517 N CYS A 33 0.982 -6.129 -1.993 1.00 0.00 N ATOM 518 CA CYS A 33 0.005 -5.124 -1.677 1.00 0.00 C ATOM 519 C CYS A 33 0.514 -4.147 -0.615 1.00 0.00 C ATOM 520 O CYS A 33 0.183 -2.968 -0.649 1.00 0.00 O ATOM 521 CB CYS A 33 -1.348 -5.754 -1.327 1.00 0.00 C ATOM 522 SG CYS A 33 -2.148 -6.556 -2.776 1.00 0.00 S ATOM 0 H CYS A 33 0.767 -7.064 -1.647 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.161 -4.523 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.208 -6.493 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.011 -4.986 -0.929 1.00 0.00 H new ATOM 527 N GLU A 34 1.378 -4.615 0.274 1.00 0.00 N ATOM 528 CA GLU A 34 1.946 -3.770 1.309 1.00 0.00 C ATOM 529 C GLU A 34 2.946 -2.800 0.686 1.00 0.00 C ATOM 530 O GLU A 34 3.071 -1.650 1.139 1.00 0.00 O ATOM 531 CB GLU A 34 2.587 -4.615 2.417 1.00 0.00 C ATOM 532 CG GLU A 34 2.907 -3.858 3.690 1.00 0.00 C ATOM 533 CD GLU A 34 3.206 -4.791 4.836 1.00 0.00 C ATOM 534 OE1 GLU A 34 4.390 -5.126 5.063 1.00 0.00 O ATOM 535 OE2 GLU A 34 2.253 -5.219 5.527 1.00 0.00 O ATOM 0 H GLU A 34 1.701 -5.582 0.297 1.00 0.00 H new ATOM 0 HA GLU A 34 1.150 -3.189 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.916 -5.439 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.507 -5.056 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.763 -3.206 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.066 -3.217 3.953 1.00 0.00 H new ATOM 542 N GLU A 35 3.626 -3.249 -0.381 1.00 0.00 N ATOM 543 CA GLU A 35 4.511 -2.371 -1.140 1.00 0.00 C ATOM 544 C GLU A 35 3.688 -1.247 -1.720 1.00 0.00 C ATOM 545 O GLU A 35 4.016 -0.093 -1.558 1.00 0.00 O ATOM 546 CB GLU A 35 5.210 -3.098 -2.289 1.00 0.00 C ATOM 547 CG GLU A 35 6.103 -4.246 -1.886 1.00 0.00 C ATOM 548 CD GLU A 35 6.805 -4.847 -3.074 1.00 0.00 C ATOM 549 OE1 GLU A 35 8.045 -4.660 -3.211 1.00 0.00 O ATOM 550 OE2 GLU A 35 6.147 -5.506 -3.908 1.00 0.00 O ATOM 0 H GLU A 35 3.577 -4.206 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 35 5.279 -2.004 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.450 -3.475 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.807 -2.374 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.842 -3.897 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.509 -5.012 -1.388 1.00 0.00 H new ATOM 557 N ARG A 36 2.564 -1.617 -2.338 1.00 0.00 N ATOM 558 CA ARG A 36 1.643 -0.661 -2.965 1.00 0.00 C ATOM 559 C ARG A 36 1.145 0.357 -1.925 1.00 0.00 C ATOM 560 O ARG A 36 0.943 1.537 -2.223 1.00 0.00 O ATOM 561 CB ARG A 36 0.434 -1.394 -3.532 1.00 0.00 C ATOM 562 CG ARG A 36 -0.392 -0.557 -4.486 1.00 0.00 C ATOM 563 CD ARG A 36 -1.796 -1.102 -4.630 1.00 0.00 C ATOM 564 NE ARG A 36 -2.564 -0.889 -3.401 1.00 0.00 N ATOM 565 CZ ARG A 36 -3.865 -0.623 -3.355 1.00 0.00 C ATOM 566 NH1 ARG A 36 -4.626 -0.779 -4.433 1.00 0.00 N ATOM 567 NH2 ARG A 36 -4.412 -0.219 -2.215 1.00 0.00 N ATOM 0 H ARG A 36 2.265 -2.589 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 36 2.178 -0.147 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.774 -2.291 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.200 -1.723 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.435 0.471 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.092 -0.533 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.297 -0.614 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.756 -2.167 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.063 -0.949 -2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.212 -1.106 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.624 -0.572 -4.387 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.834 -0.114 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.410 -0.013 -2.173 1.00 0.00 H new ATOM 581 N LEU A 37 0.916 -0.125 -0.718 1.00 0.00 N ATOM 582 CA LEU A 37 0.505 0.707 0.405 1.00 0.00 C ATOM 583 C LEU A 37 1.566 1.746 0.715 1.00 0.00 C ATOM 584 O LEU A 37 1.277 2.959 0.784 1.00 0.00 O ATOM 585 CB LEU A 37 0.206 -0.181 1.630 1.00 0.00 C ATOM 586 CG LEU A 37 -1.260 -0.588 1.854 1.00 0.00 C ATOM 587 CD1 LEU A 37 -2.046 0.586 2.361 1.00 0.00 C ATOM 588 CD2 LEU A 37 -1.900 -1.109 0.574 1.00 0.00 C ATOM 0 H LEU A 37 1.010 -1.113 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.407 1.242 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.801 -1.090 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.553 0.343 2.521 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.271 -1.390 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.083 0.289 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.621 0.929 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.006 1.394 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.935 -1.387 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.872 -0.331 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.351 -1.982 0.222 1.00 0.00 H new ATOM 600 N ARG A 38 2.787 1.283 0.819 1.00 0.00 N ATOM 601 CA ARG A 38 3.912 2.126 1.130 1.00 0.00 C ATOM 602 C ARG A 38 4.186 3.100 -0.021 1.00 0.00 C ATOM 603 O ARG A 38 4.384 4.279 0.202 1.00 0.00 O ATOM 604 CB ARG A 38 5.131 1.263 1.435 1.00 0.00 C ATOM 605 CG ARG A 38 6.345 2.036 1.895 1.00 0.00 C ATOM 606 CD ARG A 38 7.456 1.094 2.280 1.00 0.00 C ATOM 607 NE ARG A 38 8.631 1.804 2.760 1.00 0.00 N ATOM 608 CZ ARG A 38 9.813 1.249 2.976 1.00 0.00 C ATOM 609 NH1 ARG A 38 9.971 -0.061 2.848 1.00 0.00 N ATOM 610 NH2 ARG A 38 10.831 2.002 3.346 1.00 0.00 N ATOM 0 H ARG A 38 3.029 0.301 0.689 1.00 0.00 H new ATOM 0 HA ARG A 38 3.685 2.721 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.864 0.538 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.393 0.697 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.683 2.701 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.082 2.665 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.102 0.414 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.728 0.483 1.419 1.00 0.00 H new ATOM 0 HE ARG A 38 8.537 2.803 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.179 -0.647 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.884 -0.483 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.705 3.007 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.744 1.579 3.514 1.00 0.00 H new