USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 280 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 187 CYS SG : rot 50:sc= -0.887 USER MOD Set 1.2: A 189 THR OG1 : rot 83:sc= 0.0187 USER MOD Set 1.3: A 204 HIS : no HD1:sc= -0.484 K(o=-2,f=-4.3) USER MOD Set 1.4: A 207 HIS : no HE2:sc= -0.693 K(o=-2,f=-5.7) USER MOD Set 2.1: A 175 CYS SG : rot -130:sc= 0.306 USER MOD Set 2.2: A 178 HIS : no HE2:sc= -4.2! C(o=-3.5!,f=-4.5!) USER MOD Set 2.3: A 195 CYS SG : rot -100:sc= 0.237 USER MOD Set 2.4: A 198 CYS SG : rot 127:sc= 0.11 USER MOD Single : A 174 MET CE :methyl -155:sc= -0.0728 (180deg=-1.08) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 185 MET CE :methyl 156:sc= -0.0729 (180deg=-0.898) USER MOD Single : A 186 TYR OH : rot 40:sc= 0.0203 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 98 N MET A 174 16.519 5.386 -2.306 1.00 12.24 N ATOM 99 CA MET A 174 17.450 5.108 -1.218 1.00 63.21 C ATOM 100 C MET A 174 18.821 4.716 -1.764 1.00 15.31 C ATOM 101 O MET A 174 19.033 4.798 -2.972 1.00 61.23 O ATOM 102 CB MET A 174 16.905 3.992 -0.325 1.00 5.52 C ATOM 103 CG MET A 174 15.675 4.397 0.471 1.00 64.23 C ATOM 104 SD MET A 174 14.185 3.538 -0.070 1.00 31.50 S ATOM 105 CE MET A 174 13.490 4.743 -1.197 1.00 75.31 C ATOM 0 HA MET A 174 17.560 6.016 -0.625 1.00 63.21 H new ATOM 0 HB2 MET A 174 16.659 3.130 -0.944 1.00 5.52 H new ATOM 0 HB3 MET A 174 17.687 3.676 0.366 1.00 5.52 H new ATOM 0 HG2 MET A 174 15.846 4.190 1.527 1.00 64.23 H new ATOM 0 HG3 MET A 174 15.524 5.472 0.377 1.00 64.23 H new ATOM 0 HE1 MET A 174 12.413 4.594 -1.270 1.00 75.31 H new ATOM 0 HE2 MET A 174 13.693 5.748 -0.826 1.00 75.31 H new ATOM 0 HE3 MET A 174 13.940 4.622 -2.182 1.00 75.31 H new ATOM 115 N CYS A 175 19.708 4.303 -0.872 1.00 44.41 N ATOM 116 CA CYS A 175 21.046 3.904 -1.277 1.00 4.41 C ATOM 117 C CYS A 175 20.964 2.506 -1.892 1.00 44.33 C ATOM 118 O CYS A 175 19.998 1.766 -1.706 1.00 53.05 O ATOM 119 CB CYS A 175 22.031 3.956 -0.107 1.00 53.02 C ATOM 120 SG CYS A 175 23.636 4.632 -0.669 1.00 23.42 S ATOM 0 H CYS A 175 19.527 4.236 0.130 1.00 44.41 H new ATOM 0 HA CYS A 175 21.428 4.605 -2.019 1.00 4.41 H new ATOM 0 HB2 CYS A 175 21.626 4.576 0.693 1.00 53.02 H new ATOM 0 HB3 CYS A 175 22.172 2.957 0.305 1.00 53.02 H new ATOM 0 HG CYS A 175 24.597 3.848 -0.279 1.00 23.42 H new ATOM 125 N LEU A 176 22.008 2.159 -2.637 1.00 64.31 N ATOM 126 CA LEU A 176 22.082 0.858 -3.292 1.00 74.54 C ATOM 127 C LEU A 176 22.317 -0.253 -2.274 1.00 2.54 C ATOM 128 O LEU A 176 21.602 -1.255 -2.258 1.00 42.50 O ATOM 129 CB LEU A 176 23.200 0.853 -4.337 1.00 15.54 C ATOM 130 CG LEU A 176 22.783 1.195 -5.767 1.00 52.41 C ATOM 131 CD1 LEU A 176 22.452 2.675 -5.888 1.00 1.14 C ATOM 132 CD2 LEU A 176 23.880 0.812 -6.749 1.00 62.54 C ATOM 0 H LEU A 176 22.815 2.761 -2.802 1.00 64.31 H new ATOM 0 HA LEU A 176 21.129 0.675 -3.788 1.00 74.54 H new ATOM 0 HB2 LEU A 176 23.966 1.562 -4.024 1.00 15.54 H new ATOM 0 HB3 LEU A 176 23.662 -0.134 -4.341 1.00 15.54 H new ATOM 0 HG LEU A 176 21.888 0.622 -6.010 1.00 52.41 H new ATOM 0 HD11 LEU A 176 22.157 2.899 -6.913 1.00 1.14 H new ATOM 0 HD12 LEU A 176 21.632 2.921 -5.213 1.00 1.14 H new ATOM 0 HD13 LEU A 176 23.329 3.267 -5.625 1.00 1.14 H new ATOM 0 HD21 LEU A 176 23.565 1.063 -7.762 1.00 62.54 H new ATOM 0 HD22 LEU A 176 24.792 1.358 -6.507 1.00 62.54 H new ATOM 0 HD23 LEU A 176 24.070 -0.259 -6.683 1.00 62.54 H new ATOM 144 N GLU A 177 23.323 -0.067 -1.424 1.00 42.22 N ATOM 145 CA GLU A 177 23.651 -1.053 -0.402 1.00 72.41 C ATOM 146 C GLU A 177 22.781 -0.862 0.838 1.00 50.24 C ATOM 147 O GLU A 177 22.347 -1.831 1.461 1.00 44.21 O ATOM 148 CB GLU A 177 25.129 -0.953 -0.021 1.00 31.13 C ATOM 149 CG GLU A 177 26.068 -0.976 -1.215 1.00 45.50 C ATOM 150 CD GLU A 177 27.203 -1.967 -1.047 1.00 32.11 C ATOM 151 OE1 GLU A 177 26.933 -3.111 -0.626 1.00 41.13 O ATOM 152 OE2 GLU A 177 28.361 -1.599 -1.335 1.00 72.04 O ATOM 0 H GLU A 177 23.924 0.757 -1.424 1.00 42.22 H new ATOM 0 HA GLU A 177 23.455 -2.043 -0.813 1.00 72.41 H new ATOM 0 HB2 GLU A 177 25.290 -0.032 0.539 1.00 31.13 H new ATOM 0 HB3 GLU A 177 25.381 -1.779 0.644 1.00 31.13 H new ATOM 0 HG2 GLU A 177 25.502 -1.226 -2.112 1.00 45.50 H new ATOM 0 HG3 GLU A 177 26.481 0.021 -1.367 1.00 45.50 H new ATOM 159 N HIS A 178 22.530 0.395 1.189 1.00 54.51 N ATOM 160 CA HIS A 178 21.714 0.716 2.354 1.00 34.40 C ATOM 161 C HIS A 178 20.236 0.794 1.979 1.00 65.55 C ATOM 162 O HIS A 178 19.815 1.706 1.269 1.00 73.21 O ATOM 163 CB HIS A 178 22.165 2.040 2.971 1.00 22.54 C ATOM 164 CG HIS A 178 23.628 2.086 3.287 1.00 63.42 C ATOM 165 ND1 HIS A 178 24.533 2.826 2.555 1.00 24.43 N ATOM 166 CD2 HIS A 178 24.343 1.479 4.263 1.00 30.32 C ATOM 167 CE1 HIS A 178 25.741 2.670 3.066 1.00 3.31 C ATOM 168 NE2 HIS A 178 25.653 1.858 4.104 1.00 65.01 N ATOM 0 H HIS A 178 22.880 1.208 0.683 1.00 54.51 H new ATOM 0 HA HIS A 178 21.844 -0.081 3.087 1.00 34.40 H new ATOM 0 HB2 HIS A 178 21.924 2.852 2.285 1.00 22.54 H new ATOM 0 HB3 HIS A 178 21.598 2.217 3.885 1.00 22.54 H new ATOM 0 HD1 HIS A 178 24.305 3.403 1.746 1.00 24.43 H new ATOM 0 HD2 HIS A 178 23.955 0.819 5.025 1.00 30.32 H new ATOM 0 HE1 HIS A 178 26.647 3.129 2.698 1.00 3.31 H new ATOM 175 N GLU A 179 19.458 -0.171 2.458 1.00 31.32 N ATOM 176 CA GLU A 179 18.029 -0.212 2.170 1.00 52.14 C ATOM 177 C GLU A 179 17.237 0.549 3.231 1.00 44.14 C ATOM 178 O GLU A 179 16.205 1.151 2.937 1.00 61.10 O ATOM 179 CB GLU A 179 17.542 -1.661 2.096 1.00 40.32 C ATOM 180 CG GLU A 179 17.904 -2.487 3.318 1.00 21.02 C ATOM 181 CD GLU A 179 17.264 -3.862 3.304 1.00 53.12 C ATOM 182 OE1 GLU A 179 16.410 -4.108 2.425 1.00 21.33 O ATOM 183 OE2 GLU A 179 17.614 -4.690 4.170 1.00 15.13 O ATOM 0 H GLU A 179 19.792 -0.934 3.047 1.00 31.32 H new ATOM 0 HA GLU A 179 17.865 0.268 1.205 1.00 52.14 H new ATOM 0 HB2 GLU A 179 16.459 -1.666 1.972 1.00 40.32 H new ATOM 0 HB3 GLU A 179 17.966 -2.133 1.210 1.00 40.32 H new ATOM 0 HG2 GLU A 179 18.987 -2.595 3.371 1.00 21.02 H new ATOM 0 HG3 GLU A 179 17.593 -1.955 4.217 1.00 21.02 H new ATOM 190 N ASP A 180 17.731 0.516 4.464 1.00 74.10 N ATOM 191 CA ASP A 180 17.071 1.202 5.569 1.00 21.32 C ATOM 192 C ASP A 180 17.676 2.584 5.789 1.00 14.40 C ATOM 193 O ASP A 180 17.773 3.056 6.921 1.00 54.44 O ATOM 194 CB ASP A 180 17.182 0.373 6.850 1.00 2.41 C ATOM 195 CG ASP A 180 15.888 0.352 7.640 1.00 60.01 C ATOM 196 OD1 ASP A 180 14.810 0.281 7.012 1.00 23.31 O ATOM 197 OD2 ASP A 180 15.953 0.405 8.886 1.00 50.03 O ATOM 0 H ASP A 180 18.585 0.022 4.723 1.00 74.10 H new ATOM 0 HA ASP A 180 16.018 1.323 5.313 1.00 21.32 H new ATOM 0 HB2 ASP A 180 17.465 -0.648 6.595 1.00 2.41 H new ATOM 0 HB3 ASP A 180 17.979 0.778 7.474 1.00 2.41 H new ATOM 202 N GLU A 181 18.081 3.228 4.699 1.00 71.54 N ATOM 203 CA GLU A 181 18.678 4.557 4.774 1.00 63.44 C ATOM 204 C GLU A 181 18.477 5.318 3.467 1.00 55.01 C ATOM 205 O GLU A 181 19.118 5.026 2.459 1.00 63.33 O ATOM 206 CB GLU A 181 20.172 4.451 5.090 1.00 52.45 C ATOM 207 CG GLU A 181 20.532 4.922 6.489 1.00 2.23 C ATOM 208 CD GLU A 181 21.503 6.087 6.481 1.00 75.12 C ATOM 209 OE1 GLU A 181 21.445 6.902 5.535 1.00 31.53 O ATOM 210 OE2 GLU A 181 22.320 6.185 7.420 1.00 33.51 O ATOM 0 H GLU A 181 18.007 2.852 3.754 1.00 71.54 H new ATOM 0 HA GLU A 181 18.182 5.106 5.574 1.00 63.44 H new ATOM 0 HB2 GLU A 181 20.487 3.414 4.972 1.00 52.45 H new ATOM 0 HB3 GLU A 181 20.732 5.039 4.362 1.00 52.45 H new ATOM 0 HG2 GLU A 181 19.623 5.215 7.015 1.00 2.23 H new ATOM 0 HG3 GLU A 181 20.969 4.093 7.046 1.00 2.23 H new ATOM 217 N LYS A 182 17.579 6.297 3.493 1.00 41.41 N ATOM 218 CA LYS A 182 17.290 7.103 2.312 1.00 31.32 C ATOM 219 C LYS A 182 18.440 8.058 2.011 1.00 23.32 C ATOM 220 O LYS A 182 19.141 8.508 2.918 1.00 65.41 O ATOM 221 CB LYS A 182 15.996 7.894 2.513 1.00 51.42 C ATOM 222 CG LYS A 182 14.740 7.085 2.240 1.00 12.13 C ATOM 223 CD LYS A 182 13.518 7.717 2.887 1.00 70.24 C ATOM 224 CE LYS A 182 13.112 8.999 2.176 1.00 21.33 C ATOM 225 NZ LYS A 182 11.729 8.916 1.630 1.00 43.43 N ATOM 0 H LYS A 182 17.038 6.552 4.320 1.00 41.41 H new ATOM 0 HA LYS A 182 17.169 6.429 1.464 1.00 31.32 H new ATOM 0 HB2 LYS A 182 15.963 8.266 3.537 1.00 51.42 H new ATOM 0 HB3 LYS A 182 16.007 8.765 1.858 1.00 51.42 H new ATOM 0 HG2 LYS A 182 14.583 7.006 1.164 1.00 12.13 H new ATOM 0 HG3 LYS A 182 14.870 6.071 2.618 1.00 12.13 H new ATOM 0 HD2 LYS A 182 12.688 7.010 2.868 1.00 70.24 H new ATOM 0 HD3 LYS A 182 13.730 7.932 3.934 1.00 70.24 H new ATOM 0 HE2 LYS A 182 13.179 9.836 2.871 1.00 21.33 H new ATOM 0 HE3 LYS A 182 13.811 9.202 1.365 1.00 21.33 H new ATOM 0 HZ1 LYS A 182 11.490 9.809 1.153 1.00 43.43 H new ATOM 0 HZ2 LYS A 182 11.671 8.133 0.948 1.00 43.43 H new ATOM 0 HZ3 LYS A 182 11.058 8.748 2.407 1.00 43.43 H new ATOM 239 N VAL A 183 18.629 8.366 0.731 1.00 2.25 N ATOM 240 CA VAL A 183 19.692 9.270 0.311 1.00 10.23 C ATOM 241 C VAL A 183 19.654 10.570 1.106 1.00 11.43 C ATOM 242 O VAL A 183 18.699 10.836 1.835 1.00 40.34 O ATOM 243 CB VAL A 183 19.590 9.597 -1.191 1.00 42.41 C ATOM 244 CG1 VAL A 183 19.979 8.388 -2.028 1.00 14.12 C ATOM 245 CG2 VAL A 183 18.185 10.068 -1.539 1.00 25.01 C ATOM 0 H VAL A 183 18.059 8.002 -0.033 1.00 2.25 H new ATOM 0 HA VAL A 183 20.636 8.759 0.501 1.00 10.23 H new ATOM 0 HB VAL A 183 20.286 10.405 -1.418 1.00 42.41 H new ATOM 0 HG11 VAL A 183 19.901 8.638 -3.086 1.00 14.12 H new ATOM 0 HG12 VAL A 183 21.005 8.101 -1.798 1.00 14.12 H new ATOM 0 HG13 VAL A 183 19.310 7.558 -1.801 1.00 14.12 H new ATOM 0 HG21 VAL A 183 18.131 10.295 -2.604 1.00 25.01 H new ATOM 0 HG22 VAL A 183 17.468 9.283 -1.298 1.00 25.01 H new ATOM 0 HG23 VAL A 183 17.949 10.964 -0.965 1.00 25.01 H new ATOM 255 N ASN A 184 20.700 11.377 0.962 1.00 50.31 N ATOM 256 CA ASN A 184 20.787 12.651 1.667 1.00 72.31 C ATOM 257 C ASN A 184 21.080 13.791 0.697 1.00 61.21 C ATOM 258 O ASN A 184 20.545 14.891 0.835 1.00 23.30 O ATOM 259 CB ASN A 184 21.872 12.589 2.743 1.00 4.14 C ATOM 260 CG ASN A 184 21.870 13.815 3.637 1.00 24.40 C ATOM 261 OD1 ASN A 184 20.821 14.396 3.909 1.00 15.44 O ATOM 262 ND2 ASN A 184 23.050 14.211 4.099 1.00 42.35 N ATOM 0 H ASN A 184 21.500 11.171 0.363 1.00 50.31 H new ATOM 0 HA ASN A 184 19.825 12.841 2.142 1.00 72.31 H new ATOM 0 HB2 ASN A 184 21.725 11.698 3.353 1.00 4.14 H new ATOM 0 HB3 ASN A 184 22.847 12.492 2.266 1.00 4.14 H new ATOM 0 HD21 ASN A 184 23.112 15.028 4.706 1.00 42.35 H new ATOM 0 HD22 ASN A 184 23.895 13.698 3.847 1.00 42.35 H new ATOM 269 N MET A 185 21.935 13.520 -0.285 1.00 55.24 N ATOM 270 CA MET A 185 22.298 14.523 -1.279 1.00 61.22 C ATOM 271 C MET A 185 22.966 13.873 -2.487 1.00 44.34 C ATOM 272 O MET A 185 22.974 12.649 -2.620 1.00 62.14 O ATOM 273 CB MET A 185 23.233 15.565 -0.664 1.00 41.41 C ATOM 274 CG MET A 185 22.735 16.994 -0.816 1.00 23.41 C ATOM 275 SD MET A 185 22.073 17.666 0.721 1.00 61.44 S ATOM 276 CE MET A 185 20.347 17.868 0.285 1.00 31.02 C ATOM 0 H MET A 185 22.388 12.615 -0.413 1.00 55.24 H new ATOM 0 HA MET A 185 21.385 15.016 -1.612 1.00 61.22 H new ATOM 0 HB2 MET A 185 23.362 15.345 0.396 1.00 41.41 H new ATOM 0 HB3 MET A 185 24.215 15.480 -1.129 1.00 41.41 H new ATOM 0 HG2 MET A 185 23.554 17.625 -1.161 1.00 23.41 H new ATOM 0 HG3 MET A 185 21.963 17.026 -1.584 1.00 23.41 H new ATOM 0 HE1 MET A 185 19.739 17.857 1.190 1.00 31.02 H new ATOM 0 HE2 MET A 185 20.211 18.818 -0.232 1.00 31.02 H new ATOM 0 HE3 MET A 185 20.039 17.052 -0.368 1.00 31.02 H new ATOM 286 N TYR A 186 23.524 14.700 -3.364 1.00 63.41 N ATOM 287 CA TYR A 186 24.192 14.205 -4.562 1.00 45.41 C ATOM 288 C TYR A 186 25.668 14.596 -4.563 1.00 41.11 C ATOM 289 O TYR A 186 25.981 15.773 -4.388 1.00 35.21 O ATOM 290 CB TYR A 186 23.508 14.752 -5.816 1.00 10.00 C ATOM 291 CG TYR A 186 23.745 13.912 -7.050 1.00 32.52 C ATOM 292 CD1 TYR A 186 24.978 13.912 -7.690 1.00 1.43 C ATOM 293 CD2 TYR A 186 22.734 13.116 -7.576 1.00 71.32 C ATOM 294 CE1 TYR A 186 25.198 13.146 -8.818 1.00 70.24 C ATOM 295 CE2 TYR A 186 22.946 12.346 -8.704 1.00 32.32 C ATOM 296 CZ TYR A 186 24.178 12.364 -9.321 1.00 42.30 C ATOM 297 OH TYR A 186 24.394 11.599 -10.443 1.00 74.44 O ATOM 0 H TYR A 186 23.527 15.715 -3.268 1.00 63.41 H new ATOM 0 HA TYR A 186 24.122 13.117 -4.563 1.00 45.41 H new ATOM 0 HB2 TYR A 186 22.436 14.821 -5.634 1.00 10.00 H new ATOM 0 HB3 TYR A 186 23.865 15.765 -6.002 1.00 10.00 H new ATOM 0 HD1 TYR A 186 25.779 14.522 -7.299 1.00 1.43 H new ATOM 0 HD2 TYR A 186 21.767 13.099 -7.095 1.00 71.32 H new ATOM 0 HE1 TYR A 186 26.163 13.159 -9.304 1.00 70.24 H new ATOM 0 HE2 TYR A 186 22.150 11.733 -9.100 1.00 32.32 H new ATOM 0 HH TYR A 186 25.289 11.201 -10.400 1.00 74.44 H new ATOM 307 N CYS A 187 26.531 13.610 -4.760 1.00 2.54 N ATOM 308 CA CYS A 187 27.963 13.863 -4.782 1.00 54.04 C ATOM 309 C CYS A 187 28.339 14.369 -6.177 1.00 5.43 C ATOM 310 O CYS A 187 28.344 13.629 -7.161 1.00 10.53 O ATOM 311 CB CYS A 187 28.763 12.620 -4.391 1.00 23.20 C ATOM 312 SG CYS A 187 29.371 12.782 -2.672 1.00 72.21 S ATOM 0 H CYS A 187 26.267 12.636 -4.906 1.00 2.54 H new ATOM 0 HA CYS A 187 28.213 14.622 -4.041 1.00 54.04 H new ATOM 0 HB2 CYS A 187 28.138 11.732 -4.482 1.00 23.20 H new ATOM 0 HB3 CYS A 187 29.604 12.489 -5.072 1.00 23.20 H new ATOM 0 HG CYS A 187 28.387 13.123 -1.894 1.00 72.21 H new ATOM 317 N VAL A 188 28.657 15.658 -6.240 1.00 64.21 N ATOM 318 CA VAL A 188 29.040 16.290 -7.496 1.00 65.30 C ATOM 319 C VAL A 188 30.445 15.872 -7.916 1.00 61.33 C ATOM 320 O VAL A 188 30.772 15.856 -9.104 1.00 4.04 O ATOM 321 CB VAL A 188 28.985 17.826 -7.392 1.00 31.40 C ATOM 322 CG1 VAL A 188 29.355 18.465 -8.722 1.00 50.13 C ATOM 323 CG2 VAL A 188 27.605 18.279 -6.940 1.00 31.53 C ATOM 0 H VAL A 188 28.657 16.285 -5.435 1.00 64.21 H new ATOM 0 HA VAL A 188 28.324 15.958 -8.248 1.00 65.30 H new ATOM 0 HB VAL A 188 29.712 18.149 -6.646 1.00 31.40 H new ATOM 0 HG11 VAL A 188 29.311 19.550 -8.629 1.00 50.13 H new ATOM 0 HG12 VAL A 188 30.365 18.166 -9.001 1.00 50.13 H new ATOM 0 HG13 VAL A 188 28.655 18.138 -9.490 1.00 50.13 H new ATOM 0 HG21 VAL A 188 27.583 19.367 -6.872 1.00 31.53 H new ATOM 0 HG22 VAL A 188 26.858 17.946 -7.661 1.00 31.53 H new ATOM 0 HG23 VAL A 188 27.383 17.850 -5.963 1.00 31.53 H new ATOM 333 N THR A 189 31.274 15.531 -6.934 1.00 24.12 N ATOM 334 CA THR A 189 32.645 15.114 -7.200 1.00 22.33 C ATOM 335 C THR A 189 32.679 13.843 -8.041 1.00 4.24 C ATOM 336 O THR A 189 33.293 13.810 -9.108 1.00 41.00 O ATOM 337 CB THR A 189 33.423 14.872 -5.892 1.00 52.44 C ATOM 338 OG1 THR A 189 32.531 14.414 -4.870 1.00 23.20 O ATOM 339 CG2 THR A 189 34.118 16.145 -5.433 1.00 31.32 C ATOM 0 H THR A 189 31.019 15.536 -5.946 1.00 24.12 H new ATOM 0 HA THR A 189 33.121 15.925 -7.752 1.00 22.33 H new ATOM 0 HB THR A 189 34.181 14.111 -6.080 1.00 52.44 H new ATOM 0 HG1 THR A 189 32.396 13.448 -4.962 1.00 23.20 H new ATOM 0 HG21 THR A 189 34.661 15.950 -4.508 1.00 31.32 H new ATOM 0 HG22 THR A 189 34.817 16.475 -6.201 1.00 31.32 H new ATOM 0 HG23 THR A 189 33.375 16.923 -5.260 1.00 31.32 H new ATOM 347 N ASP A 190 32.016 12.799 -7.555 1.00 44.52 N ATOM 348 CA ASP A 190 31.970 11.526 -8.264 1.00 33.43 C ATOM 349 C ASP A 190 30.771 11.472 -9.205 1.00 0.12 C ATOM 350 O ASP A 190 30.666 10.574 -10.041 1.00 33.33 O ATOM 351 CB ASP A 190 31.904 10.366 -7.268 1.00 4.53 C ATOM 352 CG ASP A 190 32.630 10.674 -5.973 1.00 1.33 C ATOM 353 OD1 ASP A 190 33.842 10.389 -5.890 1.00 63.13 O ATOM 354 OD2 ASP A 190 31.984 11.199 -5.041 1.00 22.22 O ATOM 0 H ASP A 190 31.503 12.810 -6.673 1.00 44.52 H new ATOM 0 HA ASP A 190 32.880 11.435 -8.857 1.00 33.43 H new ATOM 0 HB2 ASP A 190 30.861 10.136 -7.051 1.00 4.53 H new ATOM 0 HB3 ASP A 190 32.339 9.476 -7.722 1.00 4.53 H new ATOM 359 N ASP A 191 29.869 12.437 -9.063 1.00 45.05 N ATOM 360 CA ASP A 191 28.677 12.500 -9.902 1.00 23.13 C ATOM 361 C ASP A 191 27.787 11.283 -9.671 1.00 43.30 C ATOM 362 O ASP A 191 27.431 10.577 -10.614 1.00 61.51 O ATOM 363 CB ASP A 191 29.070 12.589 -11.377 1.00 14.14 C ATOM 364 CG ASP A 191 27.940 13.104 -12.247 1.00 35.42 C ATOM 365 OD1 ASP A 191 27.216 14.018 -11.799 1.00 23.45 O ATOM 366 OD2 ASP A 191 27.778 12.593 -13.374 1.00 61.12 O ATOM 0 H ASP A 191 29.940 13.187 -8.375 1.00 45.05 H new ATOM 0 HA ASP A 191 28.117 13.394 -9.630 1.00 23.13 H new ATOM 0 HB2 ASP A 191 29.933 13.246 -11.481 1.00 14.14 H new ATOM 0 HB3 ASP A 191 29.375 11.604 -11.729 1.00 14.14 H new ATOM 371 N GLN A 192 27.432 11.045 -8.413 1.00 1.34 N ATOM 372 CA GLN A 192 26.584 9.912 -8.060 1.00 52.32 C ATOM 373 C GLN A 192 25.887 10.150 -6.725 1.00 52.21 C ATOM 374 O GLN A 192 26.533 10.440 -5.717 1.00 50.13 O ATOM 375 CB GLN A 192 27.414 8.629 -7.994 1.00 54.10 C ATOM 376 CG GLN A 192 26.590 7.363 -8.169 1.00 32.35 C ATOM 377 CD GLN A 192 27.449 6.135 -8.399 1.00 2.02 C ATOM 378 OE1 GLN A 192 27.813 5.822 -9.533 1.00 13.15 O ATOM 379 NE2 GLN A 192 27.777 5.432 -7.321 1.00 44.15 N ATOM 0 H GLN A 192 27.718 11.621 -7.621 1.00 1.34 H new ATOM 0 HA GLN A 192 25.823 9.805 -8.833 1.00 52.32 H new ATOM 0 HB2 GLN A 192 28.182 8.663 -8.767 1.00 54.10 H new ATOM 0 HB3 GLN A 192 27.929 8.588 -7.034 1.00 54.10 H new ATOM 0 HG2 GLN A 192 25.974 7.210 -7.283 1.00 32.35 H new ATOM 0 HG3 GLN A 192 25.911 7.490 -9.012 1.00 32.35 H new ATOM 0 HE21 GLN A 192 27.453 5.729 -6.401 1.00 44.15 H new ATOM 0 HE22 GLN A 192 28.353 4.595 -7.414 1.00 44.15 H new ATOM 388 N LEU A 193 24.564 10.027 -6.724 1.00 23.43 N ATOM 389 CA LEU A 193 23.777 10.228 -5.512 1.00 65.33 C ATOM 390 C LEU A 193 24.317 9.380 -4.365 1.00 70.44 C ATOM 391 O LEU A 193 24.886 8.310 -4.586 1.00 34.14 O ATOM 392 CB LEU A 193 22.309 9.883 -5.770 1.00 44.10 C ATOM 393 CG LEU A 193 21.291 10.960 -5.393 1.00 44.35 C ATOM 394 CD1 LEU A 193 20.105 10.930 -6.346 1.00 24.41 C ATOM 395 CD2 LEU A 193 20.827 10.776 -3.956 1.00 3.35 C ATOM 0 H LEU A 193 24.014 9.789 -7.549 1.00 23.43 H new ATOM 0 HA LEU A 193 23.852 11.278 -5.229 1.00 65.33 H new ATOM 0 HB2 LEU A 193 22.191 9.654 -6.829 1.00 44.10 H new ATOM 0 HB3 LEU A 193 22.068 8.974 -5.219 1.00 44.10 H new ATOM 0 HG LEU A 193 21.774 11.934 -5.476 1.00 44.35 H new ATOM 0 HD11 LEU A 193 19.391 11.703 -6.063 1.00 24.41 H new ATOM 0 HD12 LEU A 193 20.451 11.111 -7.364 1.00 24.41 H new ATOM 0 HD13 LEU A 193 19.622 9.954 -6.296 1.00 24.41 H new ATOM 0 HD21 LEU A 193 20.103 11.551 -3.705 1.00 3.35 H new ATOM 0 HD22 LEU A 193 20.362 9.796 -3.846 1.00 3.35 H new ATOM 0 HD23 LEU A 193 21.683 10.848 -3.285 1.00 3.35 H new ATOM 407 N ILE A 194 24.133 9.863 -3.141 1.00 43.22 N ATOM 408 CA ILE A 194 24.599 9.147 -1.960 1.00 43.11 C ATOM 409 C ILE A 194 23.707 9.433 -0.757 1.00 21.25 C ATOM 410 O ILE A 194 22.739 10.181 -0.888 1.00 63.43 O ATOM 411 CB ILE A 194 26.051 9.524 -1.609 1.00 11.21 C ATOM 412 CG1 ILE A 194 26.178 11.038 -1.426 1.00 33.10 C ATOM 413 CG2 ILE A 194 27.000 9.035 -2.692 1.00 25.54 C ATOM 414 CD1 ILE A 194 26.372 11.459 0.014 1.00 74.43 C ATOM 0 H ILE A 194 23.665 10.747 -2.941 1.00 43.22 H new ATOM 0 HA ILE A 194 24.556 8.084 -2.198 1.00 43.11 H new ATOM 0 HB ILE A 194 26.320 9.040 -0.670 1.00 11.21 H new ATOM 0 HG12 ILE A 194 27.020 11.398 -2.018 1.00 33.10 H new ATOM 0 HG13 ILE A 194 25.283 11.520 -1.819 1.00 33.10 H new ATOM 0 HG21 ILE A 194 28.022 9.308 -2.431 1.00 25.54 H new ATOM 0 HG22 ILE A 194 26.925 7.951 -2.779 1.00 25.54 H new ATOM 0 HG23 ILE A 194 26.734 9.495 -3.644 1.00 25.54 H new ATOM 0 HD11 ILE A 194 26.454 12.545 0.068 1.00 74.43 H new ATOM 0 HD12 ILE A 194 25.519 11.130 0.607 1.00 74.43 H new ATOM 0 HD13 ILE A 194 27.283 11.006 0.406 1.00 74.43 H new ATOM 426 N CYS A 195 24.048 8.840 0.379 1.00 62.25 N ATOM 427 CA CYS A 195 23.272 9.039 1.590 1.00 1.32 C ATOM 428 C CYS A 195 24.222 9.492 2.700 1.00 43.30 C ATOM 429 O CYS A 195 25.414 9.714 2.489 1.00 64.43 O ATOM 430 CB CYS A 195 22.498 7.778 1.980 1.00 10.32 C ATOM 431 SG CYS A 195 23.652 6.505 2.610 1.00 41.33 S ATOM 0 H CYS A 195 24.852 8.221 0.485 1.00 62.25 H new ATOM 0 HA CYS A 195 22.520 9.809 1.420 1.00 1.32 H new ATOM 0 HB2 CYS A 195 21.757 8.018 2.742 1.00 10.32 H new ATOM 0 HB3 CYS A 195 21.955 7.393 1.117 1.00 10.32 H new ATOM 0 HG CYS A 195 23.902 5.643 1.670 1.00 41.33 H new ATOM 436 N ALA A 196 23.664 9.627 3.898 1.00 32.34 N ATOM 437 CA ALA A 196 24.438 10.047 5.060 1.00 51.24 C ATOM 438 C ALA A 196 25.354 8.930 5.543 1.00 63.33 C ATOM 439 O ALA A 196 26.488 9.177 5.956 1.00 12.02 O ATOM 440 CB ALA A 196 23.509 10.493 6.179 1.00 21.12 C ATOM 0 H ALA A 196 22.678 9.451 4.090 1.00 32.34 H new ATOM 0 HA ALA A 196 25.063 10.890 4.764 1.00 51.24 H new ATOM 0 HB1 ALA A 196 24.100 10.804 7.040 1.00 21.12 H new ATOM 0 HB2 ALA A 196 22.901 11.330 5.835 1.00 21.12 H new ATOM 0 HB3 ALA A 196 22.860 9.665 6.464 1.00 21.12 H new ATOM 446 N LEU A 197 24.857 7.698 5.489 1.00 4.42 N ATOM 447 CA LEU A 197 25.633 6.542 5.923 1.00 32.42 C ATOM 448 C LEU A 197 26.926 6.421 5.123 1.00 52.35 C ATOM 449 O LEU A 197 27.903 5.878 5.636 1.00 72.22 O ATOM 450 CB LEU A 197 24.805 5.263 5.772 1.00 42.33 C ATOM 451 CG LEU A 197 24.820 4.310 6.967 1.00 71.33 C ATOM 452 CD1 LEU A 197 23.514 3.534 7.047 1.00 32.01 C ATOM 453 CD2 LEU A 197 26.002 3.357 6.875 1.00 2.01 C ATOM 0 H LEU A 197 23.921 7.475 5.149 1.00 4.42 H new ATOM 0 HA LEU A 197 25.890 6.681 6.973 1.00 32.42 H new ATOM 0 HB2 LEU A 197 23.772 5.545 5.570 1.00 42.33 H new ATOM 0 HB3 LEU A 197 25.165 4.722 4.897 1.00 42.33 H new ATOM 0 HG LEU A 197 24.925 4.901 7.877 1.00 71.33 H new ATOM 0 HD11 LEU A 197 23.543 2.861 7.904 1.00 32.01 H new ATOM 0 HD12 LEU A 197 22.683 4.231 7.161 1.00 32.01 H new ATOM 0 HD13 LEU A 197 23.379 2.954 6.134 1.00 32.01 H new ATOM 0 HD21 LEU A 197 25.996 2.686 7.734 1.00 2.01 H new ATOM 0 HD22 LEU A 197 25.928 2.773 5.958 1.00 2.01 H new ATOM 0 HD23 LEU A 197 26.930 3.928 6.867 1.00 2.01 H new ATOM 465 N CYS A 198 26.905 6.927 3.898 1.00 15.12 N ATOM 466 CA CYS A 198 28.080 6.872 3.046 1.00 64.30 C ATOM 467 C CYS A 198 29.017 8.015 3.445 1.00 71.01 C ATOM 468 O CYS A 198 30.241 7.904 3.392 1.00 45.34 O ATOM 469 CB CYS A 198 27.707 6.931 1.564 1.00 43.22 C ATOM 470 SG CYS A 198 26.942 5.350 1.047 1.00 14.45 S ATOM 0 H CYS A 198 26.093 7.377 3.476 1.00 15.12 H new ATOM 0 HA CYS A 198 28.590 5.919 3.187 1.00 64.30 H new ATOM 0 HB2 CYS A 198 27.015 7.754 1.387 1.00 43.22 H new ATOM 0 HB3 CYS A 198 28.596 7.128 0.964 1.00 43.22 H new ATOM 0 HG CYS A 198 25.800 5.588 0.474 1.00 14.45 H new ATOM 475 N LYS A 199 28.408 9.125 3.848 1.00 22.11 N ATOM 476 CA LYS A 199 29.160 10.303 4.264 1.00 63.02 C ATOM 477 C LYS A 199 29.742 10.112 5.660 1.00 32.31 C ATOM 478 O LYS A 199 30.632 10.853 6.080 1.00 31.45 O ATOM 479 CB LYS A 199 28.263 11.542 4.238 1.00 71.31 C ATOM 480 CG LYS A 199 27.754 11.895 2.851 1.00 11.51 C ATOM 481 CD LYS A 199 26.696 12.985 2.907 1.00 75.40 C ATOM 482 CE LYS A 199 27.259 14.331 2.476 1.00 73.55 C ATOM 483 NZ LYS A 199 26.939 15.405 3.457 1.00 64.55 N ATOM 0 H LYS A 199 27.395 9.234 3.895 1.00 22.11 H new ATOM 0 HA LYS A 199 29.983 10.444 3.563 1.00 63.02 H new ATOM 0 HB2 LYS A 199 27.411 11.377 4.898 1.00 71.31 H new ATOM 0 HB3 LYS A 199 28.818 12.390 4.639 1.00 71.31 H new ATOM 0 HG2 LYS A 199 28.586 12.226 2.230 1.00 11.51 H new ATOM 0 HG3 LYS A 199 27.337 11.006 2.378 1.00 11.51 H new ATOM 0 HD2 LYS A 199 25.860 12.716 2.262 1.00 75.40 H new ATOM 0 HD3 LYS A 199 26.304 13.061 3.921 1.00 75.40 H new ATOM 0 HE2 LYS A 199 28.340 14.253 2.362 1.00 73.55 H new ATOM 0 HE3 LYS A 199 26.854 14.598 1.500 1.00 73.55 H new ATOM 0 HZ1 LYS A 199 27.340 16.307 3.128 1.00 64.55 H new ATOM 0 HZ2 LYS A 199 25.907 15.497 3.547 1.00 64.55 H new ATOM 0 HZ3 LYS A 199 27.347 15.163 4.383 1.00 64.55 H new ATOM 497 N LEU A 200 29.236 9.113 6.375 1.00 10.53 N ATOM 498 CA LEU A 200 29.707 8.823 7.725 1.00 31.13 C ATOM 499 C LEU A 200 30.582 7.573 7.740 1.00 71.10 C ATOM 500 O LEU A 200 31.649 7.557 8.354 1.00 60.03 O ATOM 501 CB LEU A 200 28.521 8.640 8.672 1.00 32.13 C ATOM 502 CG LEU A 200 28.655 9.288 10.051 1.00 43.14 C ATOM 503 CD1 LEU A 200 28.216 10.744 10.001 1.00 22.34 C ATOM 504 CD2 LEU A 200 27.845 8.520 11.084 1.00 61.41 C ATOM 0 H LEU A 200 28.500 8.490 6.043 1.00 10.53 H new ATOM 0 HA LEU A 200 30.307 9.668 8.063 1.00 31.13 H new ATOM 0 HB2 LEU A 200 27.631 9.043 8.189 1.00 32.13 H new ATOM 0 HB3 LEU A 200 28.353 7.572 8.810 1.00 32.13 H new ATOM 0 HG LEU A 200 29.704 9.255 10.346 1.00 43.14 H new ATOM 0 HD11 LEU A 200 28.318 11.189 10.991 1.00 22.34 H new ATOM 0 HD12 LEU A 200 28.840 11.288 9.292 1.00 22.34 H new ATOM 0 HD13 LEU A 200 27.175 10.799 9.684 1.00 22.34 H new ATOM 0 HD21 LEU A 200 27.953 8.996 12.058 1.00 61.41 H new ATOM 0 HD22 LEU A 200 26.794 8.519 10.795 1.00 61.41 H new ATOM 0 HD23 LEU A 200 28.207 7.493 11.140 1.00 61.41 H new ATOM 516 N VAL A 201 30.123 6.528 7.058 1.00 11.22 N ATOM 517 CA VAL A 201 30.865 5.275 6.989 1.00 21.00 C ATOM 518 C VAL A 201 31.825 5.269 5.805 1.00 40.12 C ATOM 519 O VAL A 201 32.971 4.839 5.923 1.00 4.42 O ATOM 520 CB VAL A 201 29.917 4.067 6.874 1.00 42.21 C ATOM 521 CG1 VAL A 201 30.707 2.767 6.857 1.00 42.33 C ATOM 522 CG2 VAL A 201 28.907 4.071 8.012 1.00 1.53 C ATOM 0 H VAL A 201 29.241 6.525 6.546 1.00 11.22 H new ATOM 0 HA VAL A 201 31.435 5.193 7.915 1.00 21.00 H new ATOM 0 HB VAL A 201 29.371 4.145 5.934 1.00 42.21 H new ATOM 0 HG11 VAL A 201 30.020 1.925 6.775 1.00 42.33 H new ATOM 0 HG12 VAL A 201 31.386 2.765 6.005 1.00 42.33 H new ATOM 0 HG13 VAL A 201 31.282 2.678 7.779 1.00 42.33 H new ATOM 0 HG21 VAL A 201 28.245 3.210 7.914 1.00 1.53 H new ATOM 0 HG22 VAL A 201 29.433 4.018 8.965 1.00 1.53 H new ATOM 0 HG23 VAL A 201 28.318 4.987 7.973 1.00 1.53 H new ATOM 532 N GLY A 202 31.347 5.751 4.661 1.00 43.10 N ATOM 533 CA GLY A 202 32.176 5.791 3.471 1.00 53.35 C ATOM 534 C GLY A 202 33.234 6.875 3.538 1.00 64.44 C ATOM 535 O GLY A 202 33.754 7.178 4.612 1.00 62.15 O ATOM 0 H GLY A 202 30.402 6.114 4.538 1.00 43.10 H new ATOM 0 HA2 GLY A 202 32.659 4.823 3.336 1.00 53.35 H new ATOM 0 HA3 GLY A 202 31.545 5.957 2.598 1.00 53.35 H new ATOM 539 N ARG A 203 33.556 7.457 2.388 1.00 43.34 N ATOM 540 CA ARG A 203 34.563 8.510 2.320 1.00 22.40 C ATOM 541 C ARG A 203 34.019 9.737 1.593 1.00 64.43 C ATOM 542 O ARG A 203 34.781 10.528 1.034 1.00 34.51 O ATOM 543 CB ARG A 203 35.819 7.999 1.612 1.00 11.34 C ATOM 544 CG ARG A 203 37.062 8.824 1.904 1.00 12.24 C ATOM 545 CD ARG A 203 38.305 8.194 1.298 1.00 25.45 C ATOM 546 NE ARG A 203 39.523 8.902 1.685 1.00 74.02 N ATOM 547 CZ ARG A 203 40.744 8.402 1.534 1.00 75.23 C ATOM 548 NH1 ARG A 203 40.909 7.196 1.008 1.00 72.02 N ATOM 549 NH2 ARG A 203 41.802 9.108 1.910 1.00 61.34 N ATOM 0 H ARG A 203 33.135 7.218 1.490 1.00 43.34 H new ATOM 0 HA ARG A 203 34.821 8.798 3.339 1.00 22.40 H new ATOM 0 HB2 ARG A 203 36.000 6.967 1.912 1.00 11.34 H new ATOM 0 HB3 ARG A 203 35.642 7.992 0.536 1.00 11.34 H new ATOM 0 HG2 ARG A 203 36.933 9.831 1.507 1.00 12.24 H new ATOM 0 HG3 ARG A 203 37.191 8.921 2.982 1.00 12.24 H new ATOM 0 HD2 ARG A 203 38.375 7.153 1.615 1.00 25.45 H new ATOM 0 HD3 ARG A 203 38.217 8.192 0.212 1.00 25.45 H new ATOM 0 HE ARG A 203 39.430 9.832 2.094 1.00 74.02 H new ATOM 0 HH11 ARG A 203 40.097 6.650 0.718 1.00 72.02 H new ATOM 0 HH12 ARG A 203 41.848 6.814 0.893 1.00 72.02 H new ATOM 0 HH21 ARG A 203 41.678 10.036 2.316 1.00 61.34 H new ATOM 0 HH22 ARG A 203 42.739 8.723 1.794 1.00 61.34 H new ATOM 563 N HIS A 204 32.699 9.887 1.604 1.00 43.42 N ATOM 564 CA HIS A 204 32.054 11.016 0.944 1.00 54.34 C ATOM 565 C HIS A 204 31.818 12.158 1.928 1.00 35.44 C ATOM 566 O HIS A 204 30.775 12.812 1.898 1.00 74.21 O ATOM 567 CB HIS A 204 30.725 10.581 0.323 1.00 44.43 C ATOM 568 CG HIS A 204 30.841 9.367 -0.547 1.00 24.31 C ATOM 569 ND1 HIS A 204 31.112 9.432 -1.898 1.00 35.44 N ATOM 570 CD2 HIS A 204 30.724 8.051 -0.251 1.00 70.04 C ATOM 571 CE1 HIS A 204 31.153 8.209 -2.395 1.00 23.41 C ATOM 572 NE2 HIS A 204 30.922 7.353 -1.417 1.00 31.11 N ATOM 0 H HIS A 204 32.055 9.242 2.062 1.00 43.42 H new ATOM 0 HA HIS A 204 32.717 11.370 0.155 1.00 54.34 H new ATOM 0 HB2 HIS A 204 30.009 10.380 1.120 1.00 44.43 H new ATOM 0 HB3 HIS A 204 30.322 11.404 -0.267 1.00 44.43 H new ATOM 0 HD2 HIS A 204 30.514 7.629 0.721 1.00 70.04 H new ATOM 0 HE1 HIS A 204 31.343 7.953 -3.427 1.00 23.41 H new ATOM 0 HE2 HIS A 204 30.895 6.338 -1.512 1.00 31.11 H new ATOM 579 N ARG A 205 32.792 12.392 2.802 1.00 74.42 N ATOM 580 CA ARG A 205 32.689 13.452 3.797 1.00 72.43 C ATOM 581 C ARG A 205 33.190 14.778 3.232 1.00 62.55 C ATOM 582 O ARG A 205 32.551 15.817 3.400 1.00 32.40 O ATOM 583 CB ARG A 205 33.487 13.084 5.049 1.00 53.42 C ATOM 584 CG ARG A 205 32.851 13.572 6.341 1.00 43.14 C ATOM 585 CD ARG A 205 33.764 13.337 7.534 1.00 24.00 C ATOM 586 NE ARG A 205 33.487 12.063 8.192 1.00 4.42 N ATOM 587 CZ ARG A 205 32.461 11.867 9.011 1.00 11.43 C ATOM 588 NH1 ARG A 205 31.617 12.857 9.271 1.00 31.33 N ATOM 589 NH2 ARG A 205 32.275 10.679 9.573 1.00 40.31 N ATOM 0 H ARG A 205 33.662 11.861 2.841 1.00 74.42 H new ATOM 0 HA ARG A 205 31.638 13.565 4.065 1.00 72.43 H new ATOM 0 HB2 ARG A 205 33.597 12.000 5.094 1.00 53.42 H new ATOM 0 HB3 ARG A 205 34.490 13.503 4.967 1.00 53.42 H new ATOM 0 HG2 ARG A 205 32.625 14.635 6.258 1.00 43.14 H new ATOM 0 HG3 ARG A 205 31.904 13.056 6.499 1.00 43.14 H new ATOM 0 HD2 ARG A 205 34.803 13.357 7.205 1.00 24.00 H new ATOM 0 HD3 ARG A 205 33.641 14.149 8.250 1.00 24.00 H new ATOM 0 HE ARG A 205 34.117 11.281 8.012 1.00 4.42 H new ATOM 0 HH11 ARG A 205 31.756 13.772 8.841 1.00 31.33 H new ATOM 0 HH12 ARG A 205 30.829 12.704 9.901 1.00 31.33 H new ATOM 0 HH21 ARG A 205 32.921 9.915 9.376 1.00 40.31 H new ATOM 0 HH22 ARG A 205 31.486 10.530 10.202 1.00 40.31 H new ATOM 603 N ASP A 206 34.336 14.734 2.563 1.00 65.33 N ATOM 604 CA ASP A 206 34.924 15.932 1.971 1.00 32.35 C ATOM 605 C ASP A 206 34.420 16.137 0.547 1.00 72.42 C ATOM 606 O ASP A 206 34.877 17.036 -0.161 1.00 60.01 O ATOM 607 CB ASP A 206 36.449 15.833 1.978 1.00 44.53 C ATOM 608 CG ASP A 206 37.021 15.772 3.380 1.00 10.14 C ATOM 609 OD1 ASP A 206 36.998 14.679 3.984 1.00 25.34 O ATOM 610 OD2 ASP A 206 37.491 16.818 3.876 1.00 62.05 O ATOM 0 H ASP A 206 34.877 13.882 2.416 1.00 65.33 H new ATOM 0 HA ASP A 206 34.622 16.791 2.570 1.00 32.35 H new ATOM 0 HB2 ASP A 206 36.755 14.944 1.426 1.00 44.53 H new ATOM 0 HB3 ASP A 206 36.868 16.693 1.455 1.00 44.53 H new ATOM 615 N HIS A 207 33.477 15.297 0.131 1.00 54.32 N ATOM 616 CA HIS A 207 32.911 15.388 -1.211 1.00 1.14 C ATOM 617 C HIS A 207 31.840 16.472 -1.277 1.00 14.23 C ATOM 618 O HIS A 207 30.840 16.413 -0.562 1.00 13.11 O ATOM 619 CB HIS A 207 32.317 14.042 -1.628 1.00 62.20 C ATOM 620 CG HIS A 207 33.345 12.974 -1.841 1.00 64.30 C ATOM 621 ND1 HIS A 207 33.034 11.709 -2.292 1.00 2.01 N ATOM 622 CD2 HIS A 207 34.687 12.988 -1.663 1.00 1.54 C ATOM 623 CE1 HIS A 207 34.139 10.991 -2.381 1.00 31.45 C ATOM 624 NE2 HIS A 207 35.157 11.744 -2.005 1.00 1.13 N ATOM 0 H HIS A 207 33.089 14.547 0.703 1.00 54.32 H new ATOM 0 HA HIS A 207 33.713 15.653 -1.900 1.00 1.14 H new ATOM 0 HB2 HIS A 207 31.615 13.711 -0.863 1.00 62.20 H new ATOM 0 HB3 HIS A 207 31.747 14.175 -2.548 1.00 62.20 H new ATOM 0 HD1 HIS A 207 32.097 11.379 -2.521 1.00 2.01 H new ATOM 0 HD2 HIS A 207 35.278 13.823 -1.316 1.00 1.54 H new ATOM 0 HE1 HIS A 207 34.200 9.963 -2.706 1.00 31.45 H new ATOM 631 N GLN A 208 32.058 17.460 -2.138 1.00 42.24 N ATOM 632 CA GLN A 208 31.111 18.559 -2.296 1.00 61.33 C ATOM 633 C GLN A 208 29.746 18.041 -2.737 1.00 31.34 C ATOM 634 O GLN A 208 29.651 17.087 -3.509 1.00 44.13 O ATOM 635 CB GLN A 208 31.638 19.571 -3.315 1.00 14.42 C ATOM 636 CG GLN A 208 31.795 20.974 -2.751 1.00 0.52 C ATOM 637 CD GLN A 208 33.235 21.447 -2.755 1.00 13.22 C ATOM 638 OE1 GLN A 208 33.773 21.827 -3.795 1.00 52.23 O ATOM 639 NE2 GLN A 208 33.869 21.427 -1.588 1.00 72.34 N ATOM 0 H GLN A 208 32.881 17.523 -2.737 1.00 42.24 H new ATOM 0 HA GLN A 208 30.999 19.051 -1.330 1.00 61.33 H new ATOM 0 HB2 GLN A 208 32.603 19.229 -3.690 1.00 14.42 H new ATOM 0 HB3 GLN A 208 30.959 19.604 -4.167 1.00 14.42 H new ATOM 0 HG2 GLN A 208 31.188 21.666 -3.334 1.00 0.52 H new ATOM 0 HG3 GLN A 208 31.412 20.996 -1.731 1.00 0.52 H new ATOM 0 HE21 GLN A 208 33.385 21.104 -0.750 1.00 72.34 H new ATOM 0 HE22 GLN A 208 34.840 21.734 -1.530 1.00 72.34 H new ATOM 648 N VAL A 209 28.689 18.675 -2.239 1.00 4.42 N ATOM 649 CA VAL A 209 27.329 18.279 -2.581 1.00 52.35 C ATOM 650 C VAL A 209 26.434 19.499 -2.774 1.00 72.22 C ATOM 651 O VAL A 209 26.903 20.635 -2.756 1.00 1.32 O ATOM 652 CB VAL A 209 26.717 17.374 -1.496 1.00 21.12 C ATOM 653 CG1 VAL A 209 27.598 16.158 -1.256 1.00 11.12 C ATOM 654 CG2 VAL A 209 26.510 18.155 -0.206 1.00 73.04 C ATOM 0 H VAL A 209 28.749 19.465 -1.597 1.00 4.42 H new ATOM 0 HA VAL A 209 27.388 17.722 -3.516 1.00 52.35 H new ATOM 0 HB VAL A 209 25.744 17.026 -1.844 1.00 21.12 H new ATOM 0 HG11 VAL A 209 27.150 15.530 -0.486 1.00 11.12 H new ATOM 0 HG12 VAL A 209 27.691 15.588 -2.180 1.00 11.12 H new ATOM 0 HG13 VAL A 209 28.586 16.483 -0.929 1.00 11.12 H new ATOM 0 HG21 VAL A 209 26.077 17.500 0.550 1.00 73.04 H new ATOM 0 HG22 VAL A 209 27.469 18.533 0.148 1.00 73.04 H new ATOM 0 HG23 VAL A 209 25.836 18.991 -0.391 1.00 73.04 H new ATOM 664 N ALA A 210 25.141 19.253 -2.959 1.00 73.50 N ATOM 665 CA ALA A 210 24.179 20.331 -3.153 1.00 33.10 C ATOM 666 C ALA A 210 23.144 20.352 -2.033 1.00 12.11 C ATOM 667 O ALA A 210 22.218 19.541 -2.014 1.00 4.54 O ATOM 668 CB ALA A 210 23.493 20.190 -4.504 1.00 34.13 C ATOM 0 H ALA A 210 24.736 18.317 -2.979 1.00 73.50 H new ATOM 0 HA ALA A 210 24.721 21.276 -3.129 1.00 33.10 H new ATOM 0 HB1 ALA A 210 22.777 21.002 -4.635 1.00 34.13 H new ATOM 0 HB2 ALA A 210 24.239 20.232 -5.297 1.00 34.13 H new ATOM 0 HB3 ALA A 210 22.970 19.235 -4.549 1.00 34.13 H new