USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 167 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 187 MET CE :methyl -159:sc= 0 (180deg=-0.102) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 164 LYS NZ :NH3+ -172:sc= -0.0261 (180deg=-0.15) USER MOD Single : A 165 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.33) USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.455 USER MOD Single : A 180 SER OG : rot -83:sc= 0.61 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -109:sc= -0.68 (180deg=-2.72!) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 CYS SG : rot -27:sc= 0.448 USER MOD Single : A 195 CYS SG : rot 79:sc= 0.343 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ -126:sc= 1.1 (180deg=-0.624) USER MOD Single : A 212 THR OG1 : rot 90:sc=0.000266 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 95:sc= 0.768 USER MOD Single : A 223 HIS :FLIP no HD1:sc= 0 F(o=-0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 6.284 15.040 -7.654 1.00 54.11 N ATOM 115 CA LYS A 154 7.110 13.833 -7.579 1.00 21.53 C ATOM 116 C LYS A 154 6.210 12.586 -7.457 1.00 23.14 C ATOM 117 O LYS A 154 5.096 12.677 -6.939 1.00 61.34 O ATOM 118 CB LYS A 154 8.075 13.932 -6.386 1.00 13.53 C ATOM 119 CG LYS A 154 8.939 15.194 -6.406 1.00 55.54 C ATOM 120 CD LYS A 154 9.946 15.228 -5.257 1.00 11.13 C ATOM 121 CE LYS A 154 10.996 14.132 -5.389 1.00 45.21 C ATOM 122 NZ LYS A 154 12.015 14.201 -4.311 1.00 44.02 N ATOM 0 HA LYS A 154 7.700 13.742 -8.491 1.00 21.53 H new ATOM 0 HB2 LYS A 154 7.500 13.909 -5.460 1.00 13.53 H new ATOM 0 HB3 LYS A 154 8.724 13.056 -6.380 1.00 13.53 H new ATOM 0 HG2 LYS A 154 9.472 15.251 -7.355 1.00 55.54 H new ATOM 0 HG3 LYS A 154 8.296 16.072 -6.348 1.00 55.54 H new ATOM 0 HD2 LYS A 154 10.437 16.201 -5.234 1.00 11.13 H new ATOM 0 HD3 LYS A 154 9.420 15.114 -4.309 1.00 11.13 H new ATOM 0 HE2 LYS A 154 10.508 13.158 -5.364 1.00 45.21 H new ATOM 0 HE3 LYS A 154 11.488 14.217 -6.358 1.00 45.21 H new ATOM 0 HZ1 LYS A 154 12.709 13.437 -4.440 1.00 44.02 H new ATOM 0 HZ2 LYS A 154 12.500 15.120 -4.350 1.00 44.02 H new ATOM 0 HZ3 LYS A 154 11.550 14.094 -3.387 1.00 44.02 H new ATOM 136 N PRO A 155 6.673 11.409 -7.938 1.00 63.12 N ATOM 137 CA PRO A 155 5.858 10.174 -7.958 1.00 24.23 C ATOM 138 C PRO A 155 5.196 9.857 -6.604 1.00 72.41 C ATOM 139 O PRO A 155 5.858 9.853 -5.564 1.00 5.42 O ATOM 140 CB PRO A 155 6.872 9.072 -8.340 1.00 74.14 C ATOM 141 CG PRO A 155 8.222 9.707 -8.205 1.00 22.05 C ATOM 142 CD PRO A 155 8.018 11.169 -8.484 1.00 75.52 C ATOM 0 HA PRO A 155 5.022 10.265 -8.652 1.00 24.23 H new ATOM 0 HB2 PRO A 155 6.778 8.207 -7.683 1.00 74.14 H new ATOM 0 HB3 PRO A 155 6.704 8.720 -9.358 1.00 74.14 H new ATOM 0 HG2 PRO A 155 8.628 9.553 -7.205 1.00 22.05 H new ATOM 0 HG3 PRO A 155 8.931 9.270 -8.908 1.00 22.05 H new ATOM 0 HD2 PRO A 155 8.772 11.785 -7.994 1.00 75.52 H new ATOM 0 HD3 PRO A 155 8.069 11.390 -9.550 1.00 75.52 H new ATOM 150 N ILE A 156 3.885 9.596 -6.624 1.00 61.04 N ATOM 151 CA ILE A 156 3.127 9.281 -5.402 1.00 12.43 C ATOM 152 C ILE A 156 2.267 8.018 -5.565 1.00 63.15 C ATOM 153 O ILE A 156 1.970 7.584 -6.679 1.00 54.43 O ATOM 154 CB ILE A 156 2.187 10.445 -4.989 1.00 20.23 C ATOM 155 CG1 ILE A 156 1.176 10.748 -6.114 1.00 65.20 C ATOM 156 CG2 ILE A 156 2.993 11.692 -4.627 1.00 52.11 C ATOM 157 CD1 ILE A 156 0.093 11.734 -5.723 1.00 53.23 C ATOM 0 H ILE A 156 3.322 9.596 -7.475 1.00 61.04 H new ATOM 0 HA ILE A 156 3.878 9.117 -4.629 1.00 12.43 H new ATOM 0 HB ILE A 156 1.630 10.139 -4.104 1.00 20.23 H new ATOM 0 HG12 ILE A 156 1.715 11.140 -6.977 1.00 65.20 H new ATOM 0 HG13 ILE A 156 0.707 9.815 -6.428 1.00 65.20 H new ATOM 0 HG21 ILE A 156 2.313 12.494 -4.341 1.00 52.11 H new ATOM 0 HG22 ILE A 156 3.658 11.466 -3.794 1.00 52.11 H new ATOM 0 HG23 ILE A 156 3.583 12.006 -5.488 1.00 52.11 H new ATOM 0 HD11 ILE A 156 -0.577 11.893 -6.568 1.00 53.23 H new ATOM 0 HD12 ILE A 156 -0.474 11.337 -4.881 1.00 53.23 H new ATOM 0 HD13 ILE A 156 0.550 12.682 -5.438 1.00 53.23 H new ATOM 169 N VAL A 157 1.869 7.439 -4.436 1.00 23.25 N ATOM 170 CA VAL A 157 0.944 6.302 -4.414 1.00 74.22 C ATOM 171 C VAL A 157 -0.203 6.558 -3.419 1.00 30.45 C ATOM 172 O VAL A 157 0.034 6.927 -2.266 1.00 52.12 O ATOM 173 CB VAL A 157 1.674 4.986 -4.036 1.00 22.42 C ATOM 174 CG1 VAL A 157 0.711 3.800 -4.050 1.00 14.02 C ATOM 175 CG2 VAL A 157 2.855 4.736 -4.973 1.00 64.34 C ATOM 0 H VAL A 157 2.176 7.741 -3.511 1.00 23.25 H new ATOM 0 HA VAL A 157 0.535 6.194 -5.418 1.00 74.22 H new ATOM 0 HB VAL A 157 2.058 5.093 -3.022 1.00 22.42 H new ATOM 0 HG11 VAL A 157 1.249 2.891 -3.781 1.00 14.02 H new ATOM 0 HG12 VAL A 157 -0.090 3.973 -3.331 1.00 14.02 H new ATOM 0 HG13 VAL A 157 0.286 3.688 -5.047 1.00 14.02 H new ATOM 0 HG21 VAL A 157 3.353 3.809 -4.691 1.00 64.34 H new ATOM 0 HG22 VAL A 157 2.495 4.657 -5.999 1.00 64.34 H new ATOM 0 HG23 VAL A 157 3.560 5.564 -4.899 1.00 64.34 H new ATOM 185 N ARG A 158 -1.441 6.365 -3.871 1.00 53.22 N ATOM 186 CA ARG A 158 -2.626 6.652 -3.049 1.00 62.35 C ATOM 187 C ARG A 158 -3.145 5.385 -2.351 1.00 55.32 C ATOM 188 O ARG A 158 -3.860 4.584 -2.952 1.00 22.21 O ATOM 189 CB ARG A 158 -3.727 7.262 -3.927 1.00 41.41 C ATOM 190 CG ARG A 158 -3.308 8.557 -4.616 1.00 3.11 C ATOM 191 CD ARG A 158 -4.362 9.050 -5.598 1.00 45.23 C ATOM 192 NE ARG A 158 -3.951 10.290 -6.251 1.00 31.34 N ATOM 193 CZ ARG A 158 -3.561 10.369 -7.496 1.00 61.05 C ATOM 194 NH1 ARG A 158 -3.555 9.318 -8.258 1.00 13.13 N ATOM 195 NH2 ARG A 158 -3.194 11.503 -7.991 1.00 25.24 N ATOM 0 H ARG A 158 -1.655 6.011 -4.803 1.00 53.22 H new ATOM 0 HA ARG A 158 -2.341 7.364 -2.274 1.00 62.35 H new ATOM 0 HB2 ARG A 158 -4.021 6.535 -4.684 1.00 41.41 H new ATOM 0 HB3 ARG A 158 -4.606 7.455 -3.312 1.00 41.41 H new ATOM 0 HG2 ARG A 158 -3.126 9.325 -3.864 1.00 3.11 H new ATOM 0 HG3 ARG A 158 -2.367 8.399 -5.144 1.00 3.11 H new ATOM 0 HD2 ARG A 158 -4.544 8.284 -6.352 1.00 45.23 H new ATOM 0 HD3 ARG A 158 -5.303 9.210 -5.072 1.00 45.23 H new ATOM 0 HE ARG A 158 -3.969 11.149 -5.701 1.00 31.34 H new ATOM 0 HH11 ARG A 158 -3.857 8.417 -7.887 1.00 13.13 H new ATOM 0 HH12 ARG A 158 -3.248 9.393 -9.228 1.00 13.13 H new ATOM 0 HH21 ARG A 158 -3.208 12.341 -7.410 1.00 25.24 H new ATOM 0 HH22 ARG A 158 -2.890 11.561 -8.963 1.00 25.24 H new ATOM 209 N VAL A 159 -2.783 5.207 -1.085 1.00 73.21 N ATOM 210 CA VAL A 159 -3.154 3.999 -0.338 1.00 62.21 C ATOM 211 C VAL A 159 -4.419 4.211 0.511 1.00 62.13 C ATOM 212 O VAL A 159 -4.456 5.070 1.393 1.00 14.34 O ATOM 213 CB VAL A 159 -2.000 3.543 0.586 1.00 74.22 C ATOM 214 CG1 VAL A 159 -2.338 2.224 1.281 1.00 42.21 C ATOM 215 CG2 VAL A 159 -0.699 3.427 -0.203 1.00 54.33 C ATOM 0 H VAL A 159 -2.234 5.880 -0.551 1.00 73.21 H new ATOM 0 HA VAL A 159 -3.358 3.227 -1.080 1.00 62.21 H new ATOM 0 HB VAL A 159 -1.866 4.299 1.360 1.00 74.22 H new ATOM 0 HG11 VAL A 159 -1.509 1.928 1.924 1.00 42.21 H new ATOM 0 HG12 VAL A 159 -3.237 2.350 1.884 1.00 42.21 H new ATOM 0 HG13 VAL A 159 -2.509 1.451 0.532 1.00 42.21 H new ATOM 0 HG21 VAL A 159 0.102 3.105 0.462 1.00 54.33 H new ATOM 0 HG22 VAL A 159 -0.822 2.697 -1.003 1.00 54.33 H new ATOM 0 HG23 VAL A 159 -0.447 4.396 -0.633 1.00 54.33 H new ATOM 225 N PHE A 160 -5.451 3.417 0.238 1.00 34.51 N ATOM 226 CA PHE A 160 -6.693 3.445 1.020 1.00 10.21 C ATOM 227 C PHE A 160 -6.670 2.369 2.117 1.00 50.24 C ATOM 228 O PHE A 160 -6.651 1.170 1.833 1.00 64.22 O ATOM 229 CB PHE A 160 -7.910 3.246 0.105 1.00 71.10 C ATOM 230 CG PHE A 160 -8.068 4.340 -0.923 1.00 51.41 C ATOM 231 CD1 PHE A 160 -8.628 5.560 -0.574 1.00 1.22 C ATOM 232 CD2 PHE A 160 -7.652 4.150 -2.235 1.00 43.23 C ATOM 233 CE1 PHE A 160 -8.767 6.569 -1.509 1.00 23.53 C ATOM 234 CE2 PHE A 160 -7.791 5.156 -3.172 1.00 63.11 C ATOM 235 CZ PHE A 160 -8.347 6.366 -2.809 1.00 2.50 C ATOM 0 H PHE A 160 -5.455 2.740 -0.525 1.00 34.51 H new ATOM 0 HA PHE A 160 -6.772 4.422 1.497 1.00 10.21 H new ATOM 0 HB2 PHE A 160 -7.819 2.287 -0.406 1.00 71.10 H new ATOM 0 HB3 PHE A 160 -8.811 3.198 0.716 1.00 71.10 H new ATOM 0 HD1 PHE A 160 -8.960 5.724 0.441 1.00 1.22 H new ATOM 0 HD2 PHE A 160 -7.215 3.206 -2.526 1.00 43.23 H new ATOM 0 HE1 PHE A 160 -9.203 7.515 -1.223 1.00 23.53 H new ATOM 0 HE2 PHE A 160 -7.464 4.995 -4.189 1.00 63.11 H new ATOM 0 HZ PHE A 160 -8.454 7.153 -3.541 1.00 2.50 H new ATOM 245 N LEU A 161 -6.680 2.814 3.367 1.00 21.44 N ATOM 246 CA LEU A 161 -6.582 1.919 4.524 1.00 42.14 C ATOM 247 C LEU A 161 -7.975 1.525 5.054 1.00 24.20 C ATOM 248 O LEU A 161 -8.985 2.142 4.698 1.00 12.12 O ATOM 249 CB LEU A 161 -5.773 2.612 5.635 1.00 30.32 C ATOM 250 CG LEU A 161 -4.328 2.991 5.267 1.00 74.44 C ATOM 251 CD1 LEU A 161 -3.658 3.750 6.411 1.00 55.31 C ATOM 252 CD2 LEU A 161 -3.519 1.746 4.901 1.00 71.31 C ATOM 0 H LEU A 161 -6.756 3.801 3.612 1.00 21.44 H new ATOM 0 HA LEU A 161 -6.077 1.005 4.210 1.00 42.14 H new ATOM 0 HB2 LEU A 161 -6.302 3.517 5.934 1.00 30.32 H new ATOM 0 HB3 LEU A 161 -5.747 1.955 6.505 1.00 30.32 H new ATOM 0 HG LEU A 161 -4.361 3.646 4.397 1.00 74.44 H new ATOM 0 HD11 LEU A 161 -2.637 4.008 6.128 1.00 55.31 H new ATOM 0 HD12 LEU A 161 -4.218 4.662 6.620 1.00 55.31 H new ATOM 0 HD13 LEU A 161 -3.640 3.123 7.302 1.00 55.31 H new ATOM 0 HD21 LEU A 161 -2.500 2.037 4.644 1.00 71.31 H new ATOM 0 HD22 LEU A 161 -3.498 1.063 5.750 1.00 71.31 H new ATOM 0 HD23 LEU A 161 -3.981 1.250 4.047 1.00 71.31 H new ATOM 264 N PRO A 162 -8.057 0.487 5.917 1.00 45.31 N ATOM 265 CA PRO A 162 -9.323 0.104 6.569 1.00 61.35 C ATOM 266 C PRO A 162 -9.905 1.235 7.439 1.00 54.03 C ATOM 267 O PRO A 162 -9.232 2.233 7.709 1.00 20.14 O ATOM 268 CB PRO A 162 -8.937 -1.114 7.432 1.00 34.13 C ATOM 269 CG PRO A 162 -7.455 -1.028 7.581 1.00 62.13 C ATOM 270 CD PRO A 162 -6.949 -0.403 6.309 1.00 71.44 C ATOM 0 HA PRO A 162 -10.104 -0.114 5.840 1.00 61.35 H new ATOM 0 HB2 PRO A 162 -9.434 -1.084 8.402 1.00 34.13 H new ATOM 0 HB3 PRO A 162 -9.232 -2.047 6.952 1.00 34.13 H new ATOM 0 HG2 PRO A 162 -7.184 -0.425 8.447 1.00 62.13 H new ATOM 0 HG3 PRO A 162 -7.019 -2.016 7.731 1.00 62.13 H new ATOM 0 HD2 PRO A 162 -6.024 0.150 6.471 1.00 71.44 H new ATOM 0 HD3 PRO A 162 -6.743 -1.152 5.545 1.00 71.44 H new ATOM 278 N ASN A 163 -11.161 1.075 7.867 1.00 22.12 N ATOM 279 CA ASN A 163 -11.855 2.084 8.684 1.00 42.43 C ATOM 280 C ASN A 163 -12.075 3.402 7.914 1.00 53.12 C ATOM 281 O ASN A 163 -12.185 4.472 8.520 1.00 72.13 O ATOM 282 CB ASN A 163 -11.086 2.355 9.985 1.00 23.03 C ATOM 283 CG ASN A 163 -10.921 1.110 10.839 1.00 12.22 C ATOM 284 OD1 ASN A 163 -11.732 0.191 10.784 1.00 13.51 O ATOM 285 ND2 ASN A 163 -9.882 1.080 11.648 1.00 64.33 N ATOM 0 H ASN A 163 -11.725 0.250 7.661 1.00 22.12 H new ATOM 0 HA ASN A 163 -12.835 1.675 8.929 1.00 42.43 H new ATOM 0 HB2 ASN A 163 -10.102 2.758 9.744 1.00 23.03 H new ATOM 0 HB3 ASN A 163 -11.611 3.118 10.560 1.00 23.03 H new ATOM 0 HD21 ASN A 163 -9.732 0.274 12.255 1.00 64.33 H new ATOM 0 HD22 ASN A 163 -9.228 1.862 11.667 1.00 64.33 H new ATOM 292 N LYS A 164 -12.162 3.305 6.580 1.00 53.32 N ATOM 293 CA LYS A 164 -12.367 4.476 5.707 1.00 3.11 C ATOM 294 C LYS A 164 -11.188 5.465 5.790 1.00 51.42 C ATOM 295 O LYS A 164 -11.352 6.665 5.546 1.00 44.23 O ATOM 296 CB LYS A 164 -13.682 5.202 6.058 1.00 52.44 C ATOM 297 CG LYS A 164 -14.932 4.328 5.976 1.00 13.44 C ATOM 298 CD LYS A 164 -15.149 3.748 4.581 1.00 13.33 C ATOM 299 CE LYS A 164 -16.474 2.995 4.480 1.00 31.52 C ATOM 300 NZ LYS A 164 -16.601 1.934 5.517 1.00 45.04 N ATOM 0 H LYS A 164 -12.093 2.421 6.076 1.00 53.32 H new ATOM 0 HA LYS A 164 -12.427 4.103 4.685 1.00 3.11 H new ATOM 0 HB2 LYS A 164 -13.601 5.604 7.068 1.00 52.44 H new ATOM 0 HB3 LYS A 164 -13.804 6.051 5.386 1.00 52.44 H new ATOM 0 HG2 LYS A 164 -14.850 3.514 6.696 1.00 13.44 H new ATOM 0 HG3 LYS A 164 -15.803 4.918 6.260 1.00 13.44 H new ATOM 0 HD2 LYS A 164 -15.131 4.553 3.846 1.00 13.33 H new ATOM 0 HD3 LYS A 164 -14.328 3.074 4.336 1.00 13.33 H new ATOM 0 HE2 LYS A 164 -17.299 3.700 4.582 1.00 31.52 H new ATOM 0 HE3 LYS A 164 -16.559 2.545 3.491 1.00 31.52 H new ATOM 0 HZ1 LYS A 164 -17.449 1.363 5.327 1.00 45.04 H new ATOM 0 HZ2 LYS A 164 -15.760 1.323 5.493 1.00 45.04 H new ATOM 0 HZ3 LYS A 164 -16.683 2.374 6.456 1.00 45.04 H new ATOM 314 N GLN A 165 -10.000 4.962 6.120 1.00 3.42 N ATOM 315 CA GLN A 165 -8.804 5.806 6.220 1.00 44.30 C ATOM 316 C GLN A 165 -8.036 5.838 4.890 1.00 31.12 C ATOM 317 O GLN A 165 -8.230 4.981 4.026 1.00 10.44 O ATOM 318 CB GLN A 165 -7.883 5.295 7.340 1.00 3.30 C ATOM 319 CG GLN A 165 -8.580 5.140 8.691 1.00 31.14 C ATOM 320 CD GLN A 165 -9.145 6.444 9.236 1.00 42.32 C ATOM 321 OE1 GLN A 165 -8.615 7.526 8.988 1.00 42.42 O ATOM 322 NE2 GLN A 165 -10.230 6.357 9.983 1.00 11.23 N ATOM 0 H GLN A 165 -9.837 3.976 6.323 1.00 3.42 H new ATOM 0 HA GLN A 165 -9.128 6.820 6.455 1.00 44.30 H new ATOM 0 HB2 GLN A 165 -7.467 4.332 7.044 1.00 3.30 H new ATOM 0 HB3 GLN A 165 -7.045 5.984 7.451 1.00 3.30 H new ATOM 0 HG2 GLN A 165 -9.389 4.416 8.593 1.00 31.14 H new ATOM 0 HG3 GLN A 165 -7.872 4.731 9.411 1.00 31.14 H new ATOM 0 HE21 GLN A 165 -10.648 5.446 10.172 1.00 11.23 H new ATOM 0 HE22 GLN A 165 -10.651 7.201 10.371 1.00 11.23 H new ATOM 331 N ARG A 166 -7.161 6.826 4.726 1.00 40.41 N ATOM 332 CA ARG A 166 -6.351 6.946 3.508 1.00 41.14 C ATOM 333 C ARG A 166 -5.008 7.644 3.782 1.00 1.44 C ATOM 334 O ARG A 166 -4.863 8.377 4.763 1.00 51.14 O ATOM 335 CB ARG A 166 -7.130 7.706 2.417 1.00 64.24 C ATOM 336 CG ARG A 166 -7.614 9.092 2.850 1.00 32.22 C ATOM 337 CD ARG A 166 -8.315 9.836 1.715 1.00 62.20 C ATOM 338 NE ARG A 166 -8.778 11.162 2.135 1.00 44.24 N ATOM 339 CZ ARG A 166 -8.871 12.203 1.349 1.00 60.44 C ATOM 340 NH1 ARG A 166 -8.611 12.106 0.083 1.00 72.00 N ATOM 341 NH2 ARG A 166 -9.262 13.336 1.832 1.00 33.34 N ATOM 0 H ARG A 166 -6.992 7.556 5.418 1.00 40.41 H new ATOM 0 HA ARG A 166 -6.136 5.936 3.158 1.00 41.14 H new ATOM 0 HB2 ARG A 166 -6.494 7.813 1.538 1.00 64.24 H new ATOM 0 HB3 ARG A 166 -7.991 7.109 2.117 1.00 64.24 H new ATOM 0 HG2 ARG A 166 -8.298 8.990 3.693 1.00 32.22 H new ATOM 0 HG3 ARG A 166 -6.765 9.680 3.198 1.00 32.22 H new ATOM 0 HD2 ARG A 166 -7.631 9.940 0.872 1.00 62.20 H new ATOM 0 HD3 ARG A 166 -9.164 9.249 1.366 1.00 62.20 H new ATOM 0 HE ARG A 166 -9.047 11.281 3.112 1.00 44.24 H new ATOM 0 HH11 ARG A 166 -8.330 11.209 -0.313 1.00 72.00 H new ATOM 0 HH12 ARG A 166 -8.688 12.927 -0.518 1.00 72.00 H new ATOM 0 HH21 ARG A 166 -9.496 13.415 2.822 1.00 33.34 H new ATOM 0 HH22 ARG A 166 -9.336 14.151 1.224 1.00 33.34 H new ATOM 355 N THR A 167 -4.021 7.381 2.926 1.00 4.00 N ATOM 356 CA THR A 167 -2.713 8.047 3.005 1.00 61.41 C ATOM 357 C THR A 167 -1.986 8.025 1.651 1.00 43.42 C ATOM 358 O THR A 167 -1.828 6.970 1.036 1.00 2.14 O ATOM 359 CB THR A 167 -1.798 7.408 4.082 1.00 74.12 C ATOM 360 OG1 THR A 167 -0.520 8.068 4.100 1.00 35.42 O ATOM 361 CG2 THR A 167 -1.606 5.910 3.844 1.00 11.15 C ATOM 0 H THR A 167 -4.100 6.708 2.164 1.00 4.00 H new ATOM 0 HA THR A 167 -2.916 9.080 3.287 1.00 61.41 H new ATOM 0 HB THR A 167 -2.287 7.534 5.048 1.00 74.12 H new ATOM 0 HG1 THR A 167 0.050 7.659 4.784 1.00 35.42 H new ATOM 0 HG21 THR A 167 -0.959 5.498 4.619 1.00 11.15 H new ATOM 0 HG22 THR A 167 -2.574 5.410 3.876 1.00 11.15 H new ATOM 0 HG23 THR A 167 -1.148 5.753 2.868 1.00 11.15 H new ATOM 369 N VAL A 168 -1.558 9.193 1.180 1.00 2.33 N ATOM 370 CA VAL A 168 -0.783 9.289 -0.061 1.00 13.22 C ATOM 371 C VAL A 168 0.713 9.471 0.249 1.00 63.44 C ATOM 372 O VAL A 168 1.108 10.450 0.885 1.00 23.42 O ATOM 373 CB VAL A 168 -1.273 10.470 -0.937 1.00 54.22 C ATOM 374 CG1 VAL A 168 -0.509 10.522 -2.257 1.00 74.15 C ATOM 375 CG2 VAL A 168 -2.779 10.372 -1.181 1.00 42.34 C ATOM 0 H VAL A 168 -1.733 10.088 1.636 1.00 2.33 H new ATOM 0 HA VAL A 168 -0.929 8.360 -0.612 1.00 13.22 H new ATOM 0 HB VAL A 168 -1.076 11.397 -0.399 1.00 54.22 H new ATOM 0 HG11 VAL A 168 -0.871 11.359 -2.854 1.00 74.15 H new ATOM 0 HG12 VAL A 168 0.555 10.652 -2.057 1.00 74.15 H new ATOM 0 HG13 VAL A 168 -0.664 9.592 -2.804 1.00 74.15 H new ATOM 0 HG21 VAL A 168 -3.103 11.210 -1.798 1.00 42.34 H new ATOM 0 HG22 VAL A 168 -3.005 9.436 -1.693 1.00 42.34 H new ATOM 0 HG23 VAL A 168 -3.305 10.399 -0.227 1.00 42.34 H new ATOM 385 N VAL A 169 1.539 8.532 -0.209 1.00 43.54 N ATOM 386 CA VAL A 169 2.984 8.561 0.077 1.00 63.42 C ATOM 387 C VAL A 169 3.827 8.619 -1.212 1.00 32.15 C ATOM 388 O VAL A 169 3.451 8.044 -2.234 1.00 55.52 O ATOM 389 CB VAL A 169 3.415 7.323 0.908 1.00 52.50 C ATOM 390 CG1 VAL A 169 2.706 7.305 2.263 1.00 15.23 C ATOM 391 CG2 VAL A 169 3.151 6.028 0.138 1.00 61.04 C ATOM 0 H VAL A 169 1.240 7.741 -0.779 1.00 43.54 H new ATOM 0 HA VAL A 169 3.166 9.468 0.653 1.00 63.42 H new ATOM 0 HB VAL A 169 4.488 7.394 1.087 1.00 52.50 H new ATOM 0 HG11 VAL A 169 3.023 6.429 2.828 1.00 15.23 H new ATOM 0 HG12 VAL A 169 2.961 8.207 2.819 1.00 15.23 H new ATOM 0 HG13 VAL A 169 1.628 7.266 2.109 1.00 15.23 H new ATOM 0 HG21 VAL A 169 3.462 5.176 0.742 1.00 61.04 H new ATOM 0 HG22 VAL A 169 2.087 5.947 -0.084 1.00 61.04 H new ATOM 0 HG23 VAL A 169 3.716 6.037 -0.794 1.00 61.04 H new ATOM 401 N PRO A 170 4.972 9.335 -1.187 1.00 55.43 N ATOM 402 CA PRO A 170 5.902 9.390 -2.334 1.00 61.21 C ATOM 403 C PRO A 170 6.534 8.020 -2.662 1.00 53.03 C ATOM 404 O PRO A 170 6.913 7.263 -1.765 1.00 43.31 O ATOM 405 CB PRO A 170 6.982 10.390 -1.877 1.00 32.24 C ATOM 406 CG PRO A 170 6.359 11.144 -0.747 1.00 25.33 C ATOM 407 CD PRO A 170 5.440 10.169 -0.066 1.00 74.41 C ATOM 0 HA PRO A 170 5.390 9.684 -3.250 1.00 61.21 H new ATOM 0 HB2 PRO A 170 7.887 9.874 -1.556 1.00 32.24 H new ATOM 0 HB3 PRO A 170 7.268 11.060 -2.688 1.00 32.24 H new ATOM 0 HG2 PRO A 170 7.118 11.514 -0.058 1.00 25.33 H new ATOM 0 HG3 PRO A 170 5.809 12.012 -1.111 1.00 25.33 H new ATOM 0 HD2 PRO A 170 5.961 9.579 0.688 1.00 74.41 H new ATOM 0 HD3 PRO A 170 4.615 10.673 0.437 1.00 74.41 H new ATOM 415 N ALA A 171 6.657 7.720 -3.954 1.00 23.25 N ATOM 416 CA ALA A 171 7.204 6.441 -4.412 1.00 50.14 C ATOM 417 C ALA A 171 8.715 6.533 -4.673 1.00 55.23 C ATOM 418 O ALA A 171 9.158 7.180 -5.624 1.00 14.02 O ATOM 419 CB ALA A 171 6.474 5.981 -5.672 1.00 4.33 C ATOM 0 H ALA A 171 6.383 8.350 -4.708 1.00 23.25 H new ATOM 0 HA ALA A 171 7.051 5.708 -3.620 1.00 50.14 H new ATOM 0 HB1 ALA A 171 6.888 5.029 -6.005 1.00 4.33 H new ATOM 0 HB2 ALA A 171 5.413 5.859 -5.454 1.00 4.33 H new ATOM 0 HB3 ALA A 171 6.600 6.726 -6.458 1.00 4.33 H new ATOM 425 N ARG A 172 9.503 5.887 -3.818 1.00 64.34 N ATOM 426 CA ARG A 172 10.964 5.871 -3.964 1.00 74.31 C ATOM 427 C ARG A 172 11.433 4.589 -4.672 1.00 4.33 C ATOM 428 O ARG A 172 11.026 3.486 -4.307 1.00 1.41 O ATOM 429 CB ARG A 172 11.641 5.966 -2.590 1.00 52.44 C ATOM 430 CG ARG A 172 11.136 7.113 -1.717 1.00 42.23 C ATOM 431 CD ARG A 172 11.893 7.170 -0.390 1.00 43.00 C ATOM 432 NE ARG A 172 11.344 8.167 0.529 1.00 11.03 N ATOM 433 CZ ARG A 172 11.448 8.093 1.832 1.00 22.24 C ATOM 434 NH1 ARG A 172 12.058 7.092 2.388 1.00 63.50 N ATOM 435 NH2 ARG A 172 10.947 9.030 2.574 1.00 74.34 N ATOM 0 H ARG A 172 9.157 5.365 -3.013 1.00 64.34 H new ATOM 0 HA ARG A 172 11.246 6.733 -4.569 1.00 74.31 H new ATOM 0 HB2 ARG A 172 11.490 5.027 -2.058 1.00 52.44 H new ATOM 0 HB3 ARG A 172 12.715 6.081 -2.735 1.00 52.44 H new ATOM 0 HG2 ARG A 172 11.255 8.058 -2.248 1.00 42.23 H new ATOM 0 HG3 ARG A 172 10.070 6.987 -1.526 1.00 42.23 H new ATOM 0 HD2 ARG A 172 11.862 6.189 0.084 1.00 43.00 H new ATOM 0 HD3 ARG A 172 12.941 7.398 -0.583 1.00 43.00 H new ATOM 0 HE ARG A 172 10.851 8.967 0.131 1.00 11.03 H new ATOM 0 HH11 ARG A 172 12.461 6.355 1.809 1.00 63.50 H new ATOM 0 HH12 ARG A 172 12.135 7.042 3.404 1.00 63.50 H new ATOM 0 HH21 ARG A 172 10.473 9.823 2.143 1.00 74.34 H new ATOM 0 HH22 ARG A 172 11.027 8.974 3.589 1.00 74.34 H new ATOM 449 N CYS A 173 12.303 4.736 -5.669 1.00 65.25 N ATOM 450 CA CYS A 173 12.835 3.580 -6.408 1.00 34.42 C ATOM 451 C CYS A 173 13.800 2.763 -5.537 1.00 63.43 C ATOM 452 O CYS A 173 14.806 3.285 -5.049 1.00 13.11 O ATOM 453 CB CYS A 173 13.548 4.032 -7.689 1.00 42.42 C ATOM 454 SG CYS A 173 14.199 2.672 -8.691 1.00 73.12 S ATOM 0 H CYS A 173 12.657 5.638 -5.987 1.00 65.25 H new ATOM 0 HA CYS A 173 11.990 2.947 -6.679 1.00 34.42 H new ATOM 0 HB2 CYS A 173 12.852 4.614 -8.293 1.00 42.42 H new ATOM 0 HB3 CYS A 173 14.369 4.696 -7.420 1.00 42.42 H new ATOM 0 HG CYS A 173 14.780 3.153 -9.750 1.00 73.12 H new ATOM 460 N GLY A 174 13.483 1.485 -5.340 1.00 24.12 N ATOM 461 CA GLY A 174 14.312 0.615 -4.508 1.00 52.22 C ATOM 462 C GLY A 174 13.707 0.345 -3.132 1.00 55.25 C ATOM 463 O GLY A 174 14.203 -0.497 -2.383 1.00 40.54 O ATOM 0 H GLY A 174 12.663 1.031 -5.742 1.00 24.12 H new ATOM 0 HA2 GLY A 174 14.464 -0.333 -5.024 1.00 52.22 H new ATOM 0 HA3 GLY A 174 15.294 1.071 -4.383 1.00 52.22 H new ATOM 467 N VAL A 175 12.643 1.067 -2.789 1.00 41.03 N ATOM 468 CA VAL A 175 11.934 0.848 -1.523 1.00 11.14 C ATOM 469 C VAL A 175 10.685 -0.015 -1.748 1.00 71.30 C ATOM 470 O VAL A 175 9.926 0.211 -2.691 1.00 13.25 O ATOM 471 CB VAL A 175 11.511 2.189 -0.871 1.00 61.02 C ATOM 472 CG1 VAL A 175 10.772 1.952 0.446 1.00 31.41 C ATOM 473 CG2 VAL A 175 12.726 3.091 -0.659 1.00 61.55 C ATOM 0 H VAL A 175 12.250 1.810 -3.367 1.00 41.03 H new ATOM 0 HA VAL A 175 12.622 0.333 -0.852 1.00 11.14 H new ATOM 0 HB VAL A 175 10.825 2.694 -1.551 1.00 61.02 H new ATOM 0 HG11 VAL A 175 10.487 2.910 0.881 1.00 31.41 H new ATOM 0 HG12 VAL A 175 9.877 1.358 0.259 1.00 31.41 H new ATOM 0 HG13 VAL A 175 11.424 1.419 1.138 1.00 31.41 H new ATOM 0 HG21 VAL A 175 12.408 4.027 -0.200 1.00 61.55 H new ATOM 0 HG22 VAL A 175 13.441 2.591 -0.005 1.00 61.55 H new ATOM 0 HG23 VAL A 175 13.197 3.299 -1.620 1.00 61.55 H new ATOM 483 N THR A 176 10.470 -0.997 -0.881 1.00 21.11 N ATOM 484 CA THR A 176 9.321 -1.907 -1.013 1.00 51.24 C ATOM 485 C THR A 176 8.030 -1.299 -0.449 1.00 5.33 C ATOM 486 O THR A 176 8.053 -0.289 0.256 1.00 43.42 O ATOM 487 CB THR A 176 9.568 -3.247 -0.286 1.00 15.33 C ATOM 488 OG1 THR A 176 9.695 -3.019 1.126 1.00 14.43 O ATOM 489 CG2 THR A 176 10.822 -3.935 -0.811 1.00 31.35 C ATOM 0 H THR A 176 11.070 -1.190 -0.079 1.00 21.11 H new ATOM 0 HA THR A 176 9.206 -2.077 -2.084 1.00 51.24 H new ATOM 0 HB THR A 176 8.716 -3.899 -0.477 1.00 15.33 H new ATOM 0 HG1 THR A 176 9.850 -3.872 1.583 1.00 14.43 H new ATOM 0 HG21 THR A 176 10.970 -4.876 -0.281 1.00 31.35 H new ATOM 0 HG22 THR A 176 10.709 -4.133 -1.877 1.00 31.35 H new ATOM 0 HG23 THR A 176 11.685 -3.289 -0.652 1.00 31.35 H new ATOM 497 N VAL A 177 6.902 -1.933 -0.765 1.00 1.14 N ATOM 498 CA VAL A 177 5.604 -1.544 -0.206 1.00 24.24 C ATOM 499 C VAL A 177 5.618 -1.647 1.329 1.00 53.40 C ATOM 500 O VAL A 177 5.056 -0.809 2.032 1.00 55.44 O ATOM 501 CB VAL A 177 4.471 -2.439 -0.781 1.00 31.54 C ATOM 502 CG1 VAL A 177 3.112 -2.063 -0.196 1.00 11.43 C ATOM 503 CG2 VAL A 177 4.445 -2.364 -2.309 1.00 4.12 C ATOM 0 H VAL A 177 6.859 -2.723 -1.409 1.00 1.14 H new ATOM 0 HA VAL A 177 5.415 -0.508 -0.487 1.00 24.24 H new ATOM 0 HB VAL A 177 4.682 -3.468 -0.491 1.00 31.54 H new ATOM 0 HG11 VAL A 177 2.342 -2.708 -0.620 1.00 11.43 H new ATOM 0 HG12 VAL A 177 3.135 -2.188 0.887 1.00 11.43 H new ATOM 0 HG13 VAL A 177 2.887 -1.024 -0.437 1.00 11.43 H new ATOM 0 HG21 VAL A 177 3.645 -2.998 -2.691 1.00 4.12 H new ATOM 0 HG22 VAL A 177 4.272 -1.334 -2.620 1.00 4.12 H new ATOM 0 HG23 VAL A 177 5.400 -2.707 -2.706 1.00 4.12 H new ATOM 513 N ARG A 178 6.298 -2.674 1.835 1.00 30.42 N ATOM 514 CA ARG A 178 6.406 -2.902 3.277 1.00 41.25 C ATOM 515 C ARG A 178 7.212 -1.787 3.957 1.00 15.30 C ATOM 516 O ARG A 178 6.730 -1.133 4.880 1.00 15.12 O ATOM 517 CB ARG A 178 7.071 -4.260 3.550 1.00 43.03 C ATOM 518 CG ARG A 178 6.873 -4.766 4.976 1.00 14.31 C ATOM 519 CD ARG A 178 7.771 -5.961 5.294 1.00 22.25 C ATOM 520 NE ARG A 178 9.189 -5.614 5.189 1.00 34.02 N ATOM 521 CZ ARG A 178 10.165 -6.347 5.653 1.00 50.33 C ATOM 522 NH1 ARG A 178 9.926 -7.488 6.214 1.00 21.44 N ATOM 523 NH2 ARG A 178 11.387 -5.941 5.526 1.00 31.15 N ATOM 0 H ARG A 178 6.785 -3.366 1.265 1.00 30.42 H new ATOM 0 HA ARG A 178 5.398 -2.900 3.692 1.00 41.25 H new ATOM 0 HB2 ARG A 178 6.670 -4.997 2.854 1.00 43.03 H new ATOM 0 HB3 ARG A 178 8.139 -4.178 3.348 1.00 43.03 H new ATOM 0 HG2 ARG A 178 7.082 -3.959 5.678 1.00 14.31 H new ATOM 0 HG3 ARG A 178 5.830 -5.049 5.118 1.00 14.31 H new ATOM 0 HD2 ARG A 178 7.557 -6.319 6.301 1.00 22.25 H new ATOM 0 HD3 ARG A 178 7.545 -6.779 4.610 1.00 22.25 H new ATOM 0 HE ARG A 178 9.431 -4.740 4.722 1.00 34.02 H new ATOM 0 HH11 ARG A 178 8.967 -7.824 6.298 1.00 21.44 H new ATOM 0 HH12 ARG A 178 10.697 -8.051 6.573 1.00 21.44 H new ATOM 0 HH21 ARG A 178 11.584 -5.052 5.065 1.00 31.15 H new ATOM 0 HH22 ARG A 178 12.153 -6.509 5.887 1.00 31.15 H new ATOM 537 N ASP A 179 8.440 -1.573 3.479 1.00 61.13 N ATOM 538 CA ASP A 179 9.353 -0.591 4.074 1.00 23.44 C ATOM 539 C ASP A 179 8.778 0.840 4.020 1.00 3.24 C ATOM 540 O ASP A 179 8.967 1.635 4.945 1.00 0.40 O ATOM 541 CB ASP A 179 10.713 -0.649 3.365 1.00 44.41 C ATOM 542 CG ASP A 179 11.780 0.153 4.089 1.00 72.43 C ATOM 543 OD1 ASP A 179 12.445 -0.407 4.988 1.00 61.33 O ATOM 544 OD2 ASP A 179 11.965 1.345 3.772 1.00 2.21 O ATOM 0 H ASP A 179 8.828 -2.069 2.677 1.00 61.13 H new ATOM 0 HA ASP A 179 9.480 -0.848 5.126 1.00 23.44 H new ATOM 0 HB2 ASP A 179 11.034 -1.688 3.286 1.00 44.41 H new ATOM 0 HB3 ASP A 179 10.606 -0.271 2.348 1.00 44.41 H new ATOM 549 N SER A 180 8.068 1.154 2.943 1.00 43.40 N ATOM 550 CA SER A 180 7.480 2.487 2.765 1.00 0.33 C ATOM 551 C SER A 180 6.212 2.672 3.615 1.00 55.13 C ATOM 552 O SER A 180 6.142 3.568 4.465 1.00 45.42 O ATOM 553 CB SER A 180 7.145 2.731 1.284 1.00 41.53 C ATOM 554 OG SER A 180 6.206 1.779 0.806 1.00 61.10 O ATOM 0 H SER A 180 7.882 0.507 2.176 1.00 43.40 H new ATOM 0 HA SER A 180 8.221 3.213 3.099 1.00 0.33 H new ATOM 0 HB2 SER A 180 6.742 3.736 1.160 1.00 41.53 H new ATOM 0 HB3 SER A 180 8.056 2.677 0.689 1.00 41.53 H new ATOM 0 HG SER A 180 6.674 0.956 0.552 1.00 61.10 H new ATOM 560 N LEU A 181 5.213 1.820 3.391 1.00 3.32 N ATOM 561 CA LEU A 181 3.909 1.966 4.047 1.00 53.00 C ATOM 562 C LEU A 181 3.958 1.713 5.562 1.00 64.03 C ATOM 563 O LEU A 181 3.102 2.213 6.289 1.00 52.41 O ATOM 564 CB LEU A 181 2.867 1.047 3.396 1.00 15.22 C ATOM 565 CG LEU A 181 2.547 1.357 1.925 1.00 3.44 C ATOM 566 CD1 LEU A 181 1.362 0.523 1.446 1.00 10.51 C ATOM 567 CD2 LEU A 181 2.278 2.850 1.734 1.00 44.24 C ATOM 0 H LEU A 181 5.279 1.021 2.761 1.00 3.32 H new ATOM 0 HA LEU A 181 3.617 3.007 3.909 1.00 53.00 H new ATOM 0 HB2 LEU A 181 3.220 0.018 3.465 1.00 15.22 H new ATOM 0 HB3 LEU A 181 1.944 1.106 3.972 1.00 15.22 H new ATOM 0 HG LEU A 181 3.414 1.091 1.321 1.00 3.44 H new ATOM 0 HD11 LEU A 181 1.151 0.757 0.402 1.00 10.51 H new ATOM 0 HD12 LEU A 181 1.601 -0.536 1.539 1.00 10.51 H new ATOM 0 HD13 LEU A 181 0.486 0.752 2.053 1.00 10.51 H new ATOM 0 HD21 LEU A 181 2.054 3.048 0.686 1.00 44.24 H new ATOM 0 HD22 LEU A 181 1.429 3.148 2.350 1.00 44.24 H new ATOM 0 HD23 LEU A 181 3.159 3.419 2.030 1.00 44.24 H new ATOM 579 N LYS A 182 4.947 0.957 6.054 1.00 0.42 N ATOM 580 CA LYS A 182 5.029 0.681 7.498 1.00 73.13 C ATOM 581 C LYS A 182 5.167 1.978 8.314 1.00 23.34 C ATOM 582 O LYS A 182 4.828 2.010 9.494 1.00 61.31 O ATOM 583 CB LYS A 182 6.173 -0.294 7.837 1.00 22.53 C ATOM 584 CG LYS A 182 7.582 0.237 7.582 1.00 5.33 C ATOM 585 CD LYS A 182 8.634 -0.819 7.925 1.00 12.13 C ATOM 586 CE LYS A 182 10.051 -0.357 7.603 1.00 3.35 C ATOM 587 NZ LYS A 182 10.505 0.757 8.474 1.00 44.13 N ATOM 0 H LYS A 182 5.686 0.534 5.492 1.00 0.42 H new ATOM 0 HA LYS A 182 4.091 0.201 7.776 1.00 73.13 H new ATOM 0 HB2 LYS A 182 6.092 -0.571 8.888 1.00 22.53 H new ATOM 0 HB3 LYS A 182 6.035 -1.205 7.255 1.00 22.53 H new ATOM 0 HG2 LYS A 182 7.681 0.529 6.536 1.00 5.33 H new ATOM 0 HG3 LYS A 182 7.751 1.132 8.180 1.00 5.33 H new ATOM 0 HD2 LYS A 182 8.567 -1.063 8.985 1.00 12.13 H new ATOM 0 HD3 LYS A 182 8.419 -1.734 7.373 1.00 12.13 H new ATOM 0 HE2 LYS A 182 10.736 -1.198 7.710 1.00 3.35 H new ATOM 0 HE3 LYS A 182 10.097 -0.040 6.561 1.00 3.35 H new ATOM 0 HZ1 LYS A 182 11.473 1.031 8.211 1.00 44.13 H new ATOM 0 HZ2 LYS A 182 9.870 1.572 8.354 1.00 44.13 H new ATOM 0 HZ3 LYS A 182 10.490 0.449 9.467 1.00 44.13 H new ATOM 601 N LYS A 183 5.652 3.049 7.677 1.00 74.32 N ATOM 602 CA LYS A 183 5.712 4.367 8.324 1.00 4.24 C ATOM 603 C LYS A 183 4.315 5.006 8.378 1.00 3.14 C ATOM 604 O LYS A 183 3.921 5.595 9.389 1.00 44.24 O ATOM 605 CB LYS A 183 6.687 5.297 7.584 1.00 20.30 C ATOM 606 CG LYS A 183 8.078 4.701 7.392 1.00 1.34 C ATOM 607 CD LYS A 183 9.113 5.736 6.938 1.00 50.52 C ATOM 608 CE LYS A 183 8.768 6.392 5.602 1.00 10.43 C ATOM 609 NZ LYS A 183 7.727 7.445 5.737 1.00 1.55 N ATOM 0 H LYS A 183 6.007 3.032 6.721 1.00 74.32 H new ATOM 0 HA LYS A 183 6.074 4.225 9.342 1.00 4.24 H new ATOM 0 HB2 LYS A 183 6.269 5.544 6.608 1.00 20.30 H new ATOM 0 HB3 LYS A 183 6.775 6.231 8.138 1.00 20.30 H new ATOM 0 HG2 LYS A 183 8.408 4.252 8.329 1.00 1.34 H new ATOM 0 HG3 LYS A 183 8.026 3.900 6.655 1.00 1.34 H new ATOM 0 HD2 LYS A 183 9.203 6.509 7.702 1.00 50.52 H new ATOM 0 HD3 LYS A 183 10.087 5.254 6.857 1.00 50.52 H new ATOM 0 HE2 LYS A 183 9.669 6.829 5.172 1.00 10.43 H new ATOM 0 HE3 LYS A 183 8.420 5.629 4.905 1.00 10.43 H new ATOM 0 HZ1 LYS A 183 6.838 7.111 5.313 1.00 1.55 H new ATOM 0 HZ2 LYS A 183 7.573 7.654 6.744 1.00 1.55 H new ATOM 0 HZ3 LYS A 183 8.040 8.308 5.248 1.00 1.55 H new ATOM 623 N ALA A 184 3.563 4.871 7.286 1.00 35.23 N ATOM 624 CA ALA A 184 2.183 5.363 7.228 1.00 60.54 C ATOM 625 C ALA A 184 1.287 4.582 8.201 1.00 52.51 C ATOM 626 O ALA A 184 0.370 5.135 8.810 1.00 74.42 O ATOM 627 CB ALA A 184 1.645 5.260 5.803 1.00 53.21 C ATOM 0 H ALA A 184 3.885 4.425 6.427 1.00 35.23 H new ATOM 0 HA ALA A 184 2.177 6.411 7.527 1.00 60.54 H new ATOM 0 HB1 ALA A 184 0.620 5.628 5.774 1.00 53.21 H new ATOM 0 HB2 ALA A 184 2.265 5.859 5.136 1.00 53.21 H new ATOM 0 HB3 ALA A 184 1.666 4.219 5.481 1.00 53.21 H new ATOM 633 N LEU A 185 1.562 3.289 8.342 1.00 42.31 N ATOM 634 CA LEU A 185 0.862 2.448 9.314 1.00 1.55 C ATOM 635 C LEU A 185 1.309 2.784 10.747 1.00 45.20 C ATOM 636 O LEU A 185 0.496 2.803 11.671 1.00 53.03 O ATOM 637 CB LEU A 185 1.121 0.964 9.016 1.00 53.32 C ATOM 638 CG LEU A 185 0.638 0.473 7.635 1.00 23.12 C ATOM 639 CD1 LEU A 185 0.989 -0.997 7.427 1.00 31.21 C ATOM 640 CD2 LEU A 185 -0.865 0.699 7.478 1.00 52.51 C ATOM 0 H LEU A 185 2.267 2.797 7.794 1.00 42.31 H new ATOM 0 HA LEU A 185 -0.207 2.646 9.230 1.00 1.55 H new ATOM 0 HB2 LEU A 185 2.192 0.776 9.096 1.00 53.32 H new ATOM 0 HB3 LEU A 185 0.634 0.366 9.786 1.00 53.32 H new ATOM 0 HG LEU A 185 1.152 1.054 6.869 1.00 23.12 H new ATOM 0 HD11 LEU A 185 0.638 -1.320 6.447 1.00 31.21 H new ATOM 0 HD12 LEU A 185 2.070 -1.125 7.486 1.00 31.21 H new ATOM 0 HD13 LEU A 185 0.510 -1.598 8.200 1.00 31.21 H new ATOM 0 HD21 LEU A 185 -1.186 0.346 6.498 1.00 52.51 H new ATOM 0 HD22 LEU A 185 -1.399 0.150 8.254 1.00 52.51 H new ATOM 0 HD23 LEU A 185 -1.085 1.763 7.570 1.00 52.51 H new ATOM 652 N MET A 186 2.605 3.062 10.913 1.00 14.10 N ATOM 653 CA MET A 186 3.173 3.440 12.214 1.00 73.30 C ATOM 654 C MET A 186 2.420 4.626 12.842 1.00 44.42 C ATOM 655 O MET A 186 2.044 4.580 14.016 1.00 54.51 O ATOM 656 CB MET A 186 4.660 3.790 12.057 1.00 42.34 C ATOM 657 CG MET A 186 5.333 4.259 13.341 1.00 71.34 C ATOM 658 SD MET A 186 7.068 4.692 13.096 1.00 1.51 S ATOM 659 CE MET A 186 7.481 5.363 14.706 1.00 44.43 C ATOM 0 H MET A 186 3.288 3.032 10.156 1.00 14.10 H new ATOM 0 HA MET A 186 3.067 2.585 12.882 1.00 73.30 H new ATOM 0 HB2 MET A 186 5.190 2.914 11.682 1.00 42.34 H new ATOM 0 HB3 MET A 186 4.760 4.570 11.302 1.00 42.34 H new ATOM 0 HG2 MET A 186 4.798 5.124 13.732 1.00 71.34 H new ATOM 0 HG3 MET A 186 5.261 3.473 14.093 1.00 71.34 H new ATOM 0 HE1 MET A 186 8.525 5.676 14.713 1.00 44.43 H new ATOM 0 HE2 MET A 186 6.843 6.222 14.917 1.00 44.43 H new ATOM 0 HE3 MET A 186 7.326 4.600 15.469 1.00 44.43 H new ATOM 669 N MET A 187 2.203 5.688 12.062 1.00 12.44 N ATOM 670 CA MET A 187 1.469 6.861 12.556 1.00 34.10 C ATOM 671 C MET A 187 -0.005 6.523 12.855 1.00 64.25 C ATOM 672 O MET A 187 -0.639 7.160 13.698 1.00 12.33 O ATOM 673 CB MET A 187 1.551 8.027 11.556 1.00 33.30 C ATOM 674 CG MET A 187 0.844 7.770 10.231 1.00 64.41 C ATOM 675 SD MET A 187 0.886 9.195 9.124 1.00 34.13 S ATOM 676 CE MET A 187 -0.104 8.587 7.759 1.00 15.13 C ATOM 0 H MET A 187 2.520 5.762 11.095 1.00 12.44 H new ATOM 0 HA MET A 187 1.944 7.167 13.488 1.00 34.10 H new ATOM 0 HB2 MET A 187 1.121 8.916 12.017 1.00 33.30 H new ATOM 0 HB3 MET A 187 2.600 8.247 11.358 1.00 33.30 H new ATOM 0 HG2 MET A 187 1.310 6.918 9.736 1.00 64.41 H new ATOM 0 HG3 MET A 187 -0.193 7.498 10.425 1.00 64.41 H new ATOM 0 HE1 MET A 187 0.122 9.162 6.861 1.00 15.13 H new ATOM 0 HE2 MET A 187 0.125 7.536 7.583 1.00 15.13 H new ATOM 0 HE3 MET A 187 -1.162 8.692 8.001 1.00 15.13 H new ATOM 686 N ARG A 188 -0.544 5.518 12.159 1.00 61.45 N ATOM 687 CA ARG A 188 -1.925 5.066 12.385 1.00 63.44 C ATOM 688 C ARG A 188 -2.005 4.068 13.557 1.00 2.34 C ATOM 689 O ARG A 188 -3.063 3.883 14.160 1.00 43.22 O ATOM 690 CB ARG A 188 -2.487 4.403 11.116 1.00 71.15 C ATOM 691 CG ARG A 188 -2.557 5.318 9.891 1.00 24.23 C ATOM 692 CD ARG A 188 -3.500 6.499 10.106 1.00 33.05 C ATOM 693 NE ARG A 188 -3.791 7.203 8.855 1.00 41.12 N ATOM 694 CZ ARG A 188 -4.359 8.378 8.794 1.00 62.13 C ATOM 695 NH1 ARG A 188 -4.640 9.032 9.877 1.00 31.54 N ATOM 696 NH2 ARG A 188 -4.633 8.905 7.643 1.00 51.55 N ATOM 0 H ARG A 188 -0.047 5.000 11.434 1.00 61.45 H new ATOM 0 HA ARG A 188 -2.520 5.945 12.634 1.00 63.44 H new ATOM 0 HB2 ARG A 188 -1.870 3.538 10.871 1.00 71.15 H new ATOM 0 HB3 ARG A 188 -3.488 4.030 11.331 1.00 71.15 H new ATOM 0 HG2 ARG A 188 -1.559 5.690 9.660 1.00 24.23 H new ATOM 0 HG3 ARG A 188 -2.890 4.742 9.028 1.00 24.23 H new ATOM 0 HD2 ARG A 188 -4.431 6.144 10.547 1.00 33.05 H new ATOM 0 HD3 ARG A 188 -3.055 7.194 10.818 1.00 33.05 H new ATOM 0 HE ARG A 188 -3.535 6.749 7.979 1.00 41.12 H new ATOM 0 HH11 ARG A 188 -4.418 8.630 10.788 1.00 31.54 H new ATOM 0 HH12 ARG A 188 -5.083 9.949 9.819 1.00 31.54 H new ATOM 0 HH21 ARG A 188 -4.405 8.403 6.785 1.00 51.55 H new ATOM 0 HH22 ARG A 188 -5.076 9.822 7.595 1.00 51.55 H new ATOM 710 N GLY A 189 -0.881 3.425 13.867 1.00 45.02 N ATOM 711 CA GLY A 189 -0.849 2.414 14.923 1.00 71.04 C ATOM 712 C GLY A 189 -1.085 0.994 14.403 1.00 74.24 C ATOM 713 O GLY A 189 -1.399 0.086 15.175 1.00 60.43 O ATOM 0 H GLY A 189 0.015 3.584 13.406 1.00 45.02 H new ATOM 0 HA2 GLY A 189 0.117 2.454 15.427 1.00 71.04 H new ATOM 0 HA3 GLY A 189 -1.608 2.652 15.669 1.00 71.04 H new ATOM 717 N LEU A 190 -0.930 0.799 13.094 1.00 61.22 N ATOM 718 CA LEU A 190 -1.165 -0.511 12.460 1.00 33.20 C ATOM 719 C LEU A 190 0.151 -1.231 12.123 1.00 72.44 C ATOM 720 O LEU A 190 1.233 -0.642 12.171 1.00 72.44 O ATOM 721 CB LEU A 190 -2.002 -0.334 11.183 1.00 1.30 C ATOM 722 CG LEU A 190 -3.410 0.252 11.390 1.00 30.12 C ATOM 723 CD1 LEU A 190 -4.113 0.462 10.048 1.00 54.22 C ATOM 724 CD2 LEU A 190 -4.242 -0.648 12.305 1.00 5.41 C ATOM 0 H LEU A 190 -0.642 1.531 12.444 1.00 61.22 H new ATOM 0 HA LEU A 190 -1.708 -1.129 13.175 1.00 33.20 H new ATOM 0 HB2 LEU A 190 -1.455 0.314 10.498 1.00 1.30 H new ATOM 0 HB3 LEU A 190 -2.099 -1.304 10.696 1.00 1.30 H new ATOM 0 HG LEU A 190 -3.306 1.224 11.873 1.00 30.12 H new ATOM 0 HD11 LEU A 190 -5.106 0.877 10.219 1.00 54.22 H new ATOM 0 HD12 LEU A 190 -3.532 1.152 9.437 1.00 54.22 H new ATOM 0 HD13 LEU A 190 -4.203 -0.493 9.531 1.00 54.22 H new ATOM 0 HD21 LEU A 190 -5.233 -0.215 12.438 1.00 5.41 H new ATOM 0 HD22 LEU A 190 -4.335 -1.637 11.856 1.00 5.41 H new ATOM 0 HD23 LEU A 190 -3.751 -0.735 13.274 1.00 5.41 H new ATOM 736 N ILE A 191 0.045 -2.513 11.766 1.00 24.13 N ATOM 737 CA ILE A 191 1.212 -3.332 11.411 1.00 44.32 C ATOM 738 C ILE A 191 0.998 -4.063 10.067 1.00 54.25 C ATOM 739 O ILE A 191 -0.099 -4.560 9.790 1.00 75.24 O ATOM 740 CB ILE A 191 1.531 -4.368 12.528 1.00 72.22 C ATOM 741 CG1 ILE A 191 0.277 -5.190 12.879 1.00 22.54 C ATOM 742 CG2 ILE A 191 2.089 -3.673 13.772 1.00 12.20 C ATOM 743 CD1 ILE A 191 0.488 -6.201 13.992 1.00 64.32 C ATOM 0 H ILE A 191 -0.843 -3.012 11.714 1.00 24.13 H new ATOM 0 HA ILE A 191 2.060 -2.655 11.307 1.00 44.32 H new ATOM 0 HB ILE A 191 2.293 -5.050 12.152 1.00 72.22 H new ATOM 0 HG12 ILE A 191 -0.522 -4.508 13.170 1.00 22.54 H new ATOM 0 HG13 ILE A 191 -0.062 -5.715 11.986 1.00 22.54 H new ATOM 0 HG21 ILE A 191 2.304 -4.417 14.539 1.00 12.20 H new ATOM 0 HG22 ILE A 191 3.006 -3.144 13.513 1.00 12.20 H new ATOM 0 HG23 ILE A 191 1.355 -2.963 14.152 1.00 12.20 H new ATOM 0 HD11 ILE A 191 -0.443 -6.737 14.177 1.00 64.32 H new ATOM 0 HD12 ILE A 191 1.263 -6.909 13.698 1.00 64.32 H new ATOM 0 HD13 ILE A 191 0.796 -5.683 14.900 1.00 64.32 H new ATOM 755 N PRO A 192 2.047 -4.139 9.212 1.00 51.21 N ATOM 756 CA PRO A 192 1.948 -4.754 7.868 1.00 51.25 C ATOM 757 C PRO A 192 1.491 -6.227 7.887 1.00 13.34 C ATOM 758 O PRO A 192 0.741 -6.658 7.010 1.00 74.21 O ATOM 759 CB PRO A 192 3.377 -4.631 7.303 1.00 70.21 C ATOM 760 CG PRO A 192 4.249 -4.392 8.491 1.00 20.35 C ATOM 761 CD PRO A 192 3.406 -3.626 9.474 1.00 34.23 C ATOM 0 HA PRO A 192 1.189 -4.254 7.266 1.00 51.25 H new ATOM 0 HB2 PRO A 192 3.671 -5.538 6.775 1.00 70.21 H new ATOM 0 HB3 PRO A 192 3.449 -3.810 6.590 1.00 70.21 H new ATOM 0 HG2 PRO A 192 4.591 -5.334 8.920 1.00 20.35 H new ATOM 0 HG3 PRO A 192 5.139 -3.826 8.215 1.00 20.35 H new ATOM 0 HD2 PRO A 192 3.716 -3.811 10.502 1.00 34.23 H new ATOM 0 HD3 PRO A 192 3.471 -2.550 9.310 1.00 34.23 H new ATOM 769 N GLU A 193 1.930 -6.994 8.889 1.00 4.44 N ATOM 770 CA GLU A 193 1.565 -8.419 8.996 1.00 10.55 C ATOM 771 C GLU A 193 0.041 -8.614 9.144 1.00 53.21 C ATOM 772 O GLU A 193 -0.485 -9.702 8.903 1.00 62.33 O ATOM 773 CB GLU A 193 2.292 -9.061 10.190 1.00 62.21 C ATOM 774 CG GLU A 193 1.847 -8.517 11.544 1.00 54.31 C ATOM 775 CD GLU A 193 2.690 -9.037 12.700 1.00 10.53 C ATOM 776 OE1 GLU A 193 3.741 -8.433 12.990 1.00 1.33 O ATOM 777 OE2 GLU A 193 2.306 -10.050 13.324 1.00 2.12 O ATOM 0 H GLU A 193 2.536 -6.659 9.637 1.00 4.44 H new ATOM 0 HA GLU A 193 1.874 -8.907 8.072 1.00 10.55 H new ATOM 0 HB2 GLU A 193 2.126 -10.138 10.169 1.00 62.21 H new ATOM 0 HB3 GLU A 193 3.365 -8.902 10.079 1.00 62.21 H new ATOM 0 HG2 GLU A 193 1.897 -7.428 11.526 1.00 54.31 H new ATOM 0 HG3 GLU A 193 0.804 -8.786 11.712 1.00 54.31 H new ATOM 784 N CYS A 194 -0.659 -7.553 9.539 1.00 44.45 N ATOM 785 CA CYS A 194 -2.112 -7.609 9.768 1.00 30.44 C ATOM 786 C CYS A 194 -2.911 -7.084 8.564 1.00 44.23 C ATOM 787 O CYS A 194 -4.141 -7.183 8.533 1.00 74.31 O ATOM 788 CB CYS A 194 -2.457 -6.791 11.020 1.00 24.11 C ATOM 789 SG CYS A 194 -4.223 -6.663 11.389 1.00 4.34 S ATOM 0 H CYS A 194 -0.246 -6.636 9.710 1.00 44.45 H new ATOM 0 HA CYS A 194 -2.390 -8.654 9.909 1.00 30.44 H new ATOM 0 HB2 CYS A 194 -1.954 -7.238 11.877 1.00 24.11 H new ATOM 0 HB3 CYS A 194 -2.052 -5.786 10.901 1.00 24.11 H new ATOM 0 HG CYS A 194 -4.905 -6.772 10.288 1.00 4.34 H new ATOM 795 N CYS A 195 -2.211 -6.554 7.562 1.00 51.23 N ATOM 796 CA CYS A 195 -2.863 -5.861 6.439 1.00 42.24 C ATOM 797 C CYS A 195 -2.578 -6.539 5.088 1.00 63.40 C ATOM 798 O CYS A 195 -1.537 -7.167 4.898 1.00 22.31 O ATOM 799 CB CYS A 195 -2.392 -4.405 6.393 1.00 1.42 C ATOM 800 SG CYS A 195 -2.670 -3.485 7.926 1.00 50.13 S ATOM 0 H CYS A 195 -1.193 -6.588 7.500 1.00 51.23 H new ATOM 0 HA CYS A 195 -3.939 -5.906 6.606 1.00 42.24 H new ATOM 0 HB2 CYS A 195 -1.327 -4.387 6.160 1.00 1.42 H new ATOM 0 HB3 CYS A 195 -2.906 -3.895 5.578 1.00 1.42 H new ATOM 0 HG CYS A 195 -1.744 -3.787 8.787 1.00 50.13 H new ATOM 806 N ALA A 196 -3.515 -6.400 4.149 1.00 42.01 N ATOM 807 CA ALA A 196 -3.362 -6.956 2.798 1.00 51.35 C ATOM 808 C ALA A 196 -3.602 -5.886 1.722 1.00 30.35 C ATOM 809 O ALA A 196 -4.667 -5.273 1.673 1.00 24.23 O ATOM 810 CB ALA A 196 -4.329 -8.116 2.600 1.00 60.35 C ATOM 0 H ALA A 196 -4.394 -5.904 4.298 1.00 42.01 H new ATOM 0 HA ALA A 196 -2.338 -7.315 2.696 1.00 51.35 H new ATOM 0 HB1 ALA A 196 -4.209 -8.522 1.596 1.00 60.35 H new ATOM 0 HB2 ALA A 196 -4.119 -8.894 3.334 1.00 60.35 H new ATOM 0 HB3 ALA A 196 -5.352 -7.763 2.729 1.00 60.35 H new ATOM 816 N VAL A 197 -2.611 -5.674 0.860 1.00 11.05 N ATOM 817 CA VAL A 197 -2.711 -4.676 -0.214 1.00 54.40 C ATOM 818 C VAL A 197 -3.104 -5.328 -1.550 1.00 30.35 C ATOM 819 O VAL A 197 -2.581 -6.382 -1.908 1.00 2.20 O ATOM 820 CB VAL A 197 -1.367 -3.925 -0.405 1.00 25.44 C ATOM 821 CG1 VAL A 197 -1.485 -2.854 -1.490 1.00 4.05 C ATOM 822 CG2 VAL A 197 -0.894 -3.315 0.913 1.00 34.33 C ATOM 0 H VAL A 197 -1.725 -6.179 0.880 1.00 11.05 H new ATOM 0 HA VAL A 197 -3.486 -3.969 0.084 1.00 54.40 H new ATOM 0 HB VAL A 197 -0.621 -4.650 -0.730 1.00 25.44 H new ATOM 0 HG11 VAL A 197 -0.529 -2.343 -1.603 1.00 4.05 H new ATOM 0 HG12 VAL A 197 -1.760 -3.322 -2.435 1.00 4.05 H new ATOM 0 HG13 VAL A 197 -2.251 -2.132 -1.207 1.00 4.05 H new ATOM 0 HG21 VAL A 197 0.050 -2.794 0.755 1.00 34.33 H new ATOM 0 HG22 VAL A 197 -1.641 -2.610 1.277 1.00 34.33 H new ATOM 0 HG23 VAL A 197 -0.753 -4.106 1.650 1.00 34.33 H new ATOM 832 N TYR A 198 -4.029 -4.706 -2.281 1.00 12.13 N ATOM 833 CA TYR A 198 -4.381 -5.159 -3.634 1.00 63.13 C ATOM 834 C TYR A 198 -4.822 -3.980 -4.517 1.00 61.22 C ATOM 835 O TYR A 198 -5.104 -2.887 -4.023 1.00 45.22 O ATOM 836 CB TYR A 198 -5.494 -6.223 -3.588 1.00 23.44 C ATOM 837 CG TYR A 198 -6.862 -5.690 -3.190 1.00 10.41 C ATOM 838 CD1 TYR A 198 -7.246 -5.635 -1.856 1.00 51.34 C ATOM 839 CD2 TYR A 198 -7.774 -5.252 -4.151 1.00 10.32 C ATOM 840 CE1 TYR A 198 -8.490 -5.160 -1.492 1.00 11.21 C ATOM 841 CE2 TYR A 198 -9.014 -4.774 -3.791 1.00 63.25 C ATOM 842 CZ TYR A 198 -9.369 -4.732 -2.463 1.00 75.42 C ATOM 843 OH TYR A 198 -10.610 -4.263 -2.106 1.00 74.34 O ATOM 0 H TYR A 198 -4.549 -3.888 -1.963 1.00 12.13 H new ATOM 0 HA TYR A 198 -3.487 -5.605 -4.071 1.00 63.13 H new ATOM 0 HB2 TYR A 198 -5.572 -6.691 -4.569 1.00 23.44 H new ATOM 0 HB3 TYR A 198 -5.204 -7.004 -2.885 1.00 23.44 H new ATOM 0 HD1 TYR A 198 -6.560 -5.969 -1.091 1.00 51.34 H new ATOM 0 HD2 TYR A 198 -7.502 -5.289 -5.196 1.00 10.32 H new ATOM 0 HE1 TYR A 198 -8.773 -5.124 -0.450 1.00 11.21 H new ATOM 0 HE2 TYR A 198 -9.705 -4.434 -4.548 1.00 63.25 H new ATOM 0 HH TYR A 198 -11.105 -4.001 -2.910 1.00 74.34 H new ATOM 853 N ARG A 199 -4.879 -4.213 -5.824 1.00 63.10 N ATOM 854 CA ARG A 199 -5.405 -3.221 -6.766 1.00 51.21 C ATOM 855 C ARG A 199 -6.228 -3.911 -7.863 1.00 31.11 C ATOM 856 O ARG A 199 -6.065 -5.109 -8.119 1.00 11.32 O ATOM 857 CB ARG A 199 -4.270 -2.382 -7.375 1.00 21.45 C ATOM 858 CG ARG A 199 -3.416 -3.115 -8.411 1.00 74.21 C ATOM 859 CD ARG A 199 -2.237 -2.257 -8.864 1.00 1.24 C ATOM 860 NE ARG A 199 -1.586 -2.781 -10.065 1.00 10.11 N ATOM 861 CZ ARG A 199 -0.600 -3.640 -10.062 1.00 13.05 C ATOM 862 NH1 ARG A 199 -0.183 -4.175 -8.958 1.00 1.42 N ATOM 863 NH2 ARG A 199 -0.041 -3.964 -11.184 1.00 3.24 N ATOM 0 H ARG A 199 -4.568 -5.081 -6.260 1.00 63.10 H new ATOM 0 HA ARG A 199 -6.060 -2.543 -6.219 1.00 51.21 H new ATOM 0 HB2 ARG A 199 -4.702 -1.496 -7.841 1.00 21.45 H new ATOM 0 HB3 ARG A 199 -3.622 -2.035 -6.570 1.00 21.45 H new ATOM 0 HG2 ARG A 199 -3.047 -4.049 -7.987 1.00 74.21 H new ATOM 0 HG3 ARG A 199 -4.030 -3.377 -9.272 1.00 74.21 H new ATOM 0 HD2 ARG A 199 -2.585 -1.242 -9.058 1.00 1.24 H new ATOM 0 HD3 ARG A 199 -1.507 -2.195 -8.057 1.00 1.24 H new ATOM 0 HE ARG A 199 -1.925 -2.453 -10.969 1.00 10.11 H new ATOM 0 HH11 ARG A 199 -0.625 -3.928 -8.073 1.00 1.42 H new ATOM 0 HH12 ARG A 199 0.587 -4.843 -8.974 1.00 1.42 H new ATOM 0 HH21 ARG A 199 -0.371 -3.550 -12.056 1.00 3.24 H new ATOM 0 HH22 ARG A 199 0.729 -4.633 -11.196 1.00 3.24 H new ATOM 877 N ILE A 200 -7.115 -3.157 -8.502 1.00 62.31 N ATOM 878 CA ILE A 200 -8.042 -3.724 -9.488 1.00 14.14 C ATOM 879 C ILE A 200 -7.472 -3.651 -10.911 1.00 53.01 C ATOM 880 O ILE A 200 -7.297 -2.569 -11.476 1.00 44.21 O ATOM 881 CB ILE A 200 -9.412 -3.007 -9.424 1.00 11.21 C ATOM 882 CG1 ILE A 200 -9.978 -3.105 -7.996 1.00 40.40 C ATOM 883 CG2 ILE A 200 -10.386 -3.604 -10.443 1.00 4.00 C ATOM 884 CD1 ILE A 200 -11.296 -2.389 -7.798 1.00 74.54 C ATOM 0 H ILE A 200 -7.216 -2.152 -8.359 1.00 62.31 H new ATOM 0 HA ILE A 200 -8.180 -4.776 -9.237 1.00 14.14 H new ATOM 0 HB ILE A 200 -9.276 -1.956 -9.677 1.00 11.21 H new ATOM 0 HG12 ILE A 200 -10.107 -4.157 -7.740 1.00 40.40 H new ATOM 0 HG13 ILE A 200 -9.247 -2.695 -7.299 1.00 40.40 H new ATOM 0 HG21 ILE A 200 -11.342 -3.085 -10.380 1.00 4.00 H new ATOM 0 HG22 ILE A 200 -9.977 -3.491 -11.447 1.00 4.00 H new ATOM 0 HG23 ILE A 200 -10.533 -4.663 -10.229 1.00 4.00 H new ATOM 0 HD11 ILE A 200 -11.623 -2.508 -6.765 1.00 74.54 H new ATOM 0 HD12 ILE A 200 -11.171 -1.329 -8.019 1.00 74.54 H new ATOM 0 HD13 ILE A 200 -12.045 -2.813 -8.467 1.00 74.54 H new ATOM 896 N GLN A 201 -7.183 -4.822 -11.475 1.00 12.34 N ATOM 897 CA GLN A 201 -6.622 -4.935 -12.825 1.00 1.31 C ATOM 898 C GLN A 201 -7.275 -6.101 -13.583 1.00 74.43 C ATOM 899 O GLN A 201 -7.558 -7.144 -12.989 1.00 55.32 O ATOM 900 CB GLN A 201 -5.103 -5.157 -12.747 1.00 32.21 C ATOM 901 CG GLN A 201 -4.427 -5.305 -14.107 1.00 14.34 C ATOM 902 CD GLN A 201 -2.972 -5.730 -14.001 1.00 25.13 C ATOM 903 OE1 GLN A 201 -2.657 -6.914 -13.996 1.00 3.10 O ATOM 904 NE2 GLN A 201 -2.075 -4.772 -13.912 1.00 4.42 N ATOM 0 H GLN A 201 -7.330 -5.719 -11.012 1.00 12.34 H new ATOM 0 HA GLN A 201 -6.825 -4.008 -13.361 1.00 1.31 H new ATOM 0 HB2 GLN A 201 -4.650 -4.319 -12.217 1.00 32.21 H new ATOM 0 HB3 GLN A 201 -4.907 -6.051 -12.156 1.00 32.21 H new ATOM 0 HG2 GLN A 201 -4.972 -6.039 -14.700 1.00 14.34 H new ATOM 0 HG3 GLN A 201 -4.485 -4.357 -14.641 1.00 14.34 H new ATOM 0 HE21 GLN A 201 -2.369 -3.795 -13.919 1.00 4.42 H new ATOM 0 HE22 GLN A 201 -1.085 -5.006 -13.836 1.00 4.42 H new ATOM 913 N ASP A 202 -7.513 -5.917 -14.886 1.00 33.14 N ATOM 914 CA ASP A 202 -8.135 -6.958 -15.724 1.00 12.25 C ATOM 915 C ASP A 202 -9.537 -7.336 -15.190 1.00 11.30 C ATOM 916 O ASP A 202 -10.071 -8.405 -15.484 1.00 74.31 O ATOM 917 CB ASP A 202 -7.201 -8.184 -15.791 1.00 22.41 C ATOM 918 CG ASP A 202 -7.659 -9.254 -16.776 1.00 2.51 C ATOM 919 OD1 ASP A 202 -7.715 -8.973 -17.989 1.00 13.35 O ATOM 920 OD2 ASP A 202 -7.944 -10.390 -16.341 1.00 10.43 O ATOM 0 H ASP A 202 -7.286 -5.058 -15.387 1.00 33.14 H new ATOM 0 HA ASP A 202 -8.276 -6.572 -16.734 1.00 12.25 H new ATOM 0 HB2 ASP A 202 -6.201 -7.852 -16.069 1.00 22.41 H new ATOM 0 HB3 ASP A 202 -7.126 -8.626 -14.798 1.00 22.41 H new ATOM 925 N GLY A 203 -10.139 -6.429 -14.419 1.00 52.41 N ATOM 926 CA GLY A 203 -11.448 -6.683 -13.822 1.00 61.31 C ATOM 927 C GLY A 203 -11.382 -7.587 -12.592 1.00 31.33 C ATOM 928 O GLY A 203 -12.405 -8.096 -12.132 1.00 15.22 O ATOM 0 H GLY A 203 -9.742 -5.517 -14.195 1.00 52.41 H new ATOM 0 HA2 GLY A 203 -11.904 -5.733 -13.543 1.00 61.31 H new ATOM 0 HA3 GLY A 203 -12.098 -7.141 -14.568 1.00 61.31 H new ATOM 932 N GLU A 204 -10.178 -7.790 -12.056 1.00 61.05 N ATOM 933 CA GLU A 204 -9.983 -8.661 -10.892 1.00 51.44 C ATOM 934 C GLU A 204 -9.249 -7.937 -9.754 1.00 52.00 C ATOM 935 O GLU A 204 -8.454 -7.021 -9.985 1.00 45.43 O ATOM 936 CB GLU A 204 -9.182 -9.910 -11.292 1.00 72.05 C ATOM 937 CG GLU A 204 -9.739 -10.649 -12.504 1.00 62.44 C ATOM 938 CD GLU A 204 -8.971 -11.923 -12.820 1.00 44.14 C ATOM 939 OE1 GLU A 204 -7.740 -11.849 -13.011 1.00 42.04 O ATOM 940 OE2 GLU A 204 -9.594 -13.007 -12.876 1.00 65.11 O ATOM 0 H GLU A 204 -9.321 -7.363 -12.408 1.00 61.05 H new ATOM 0 HA GLU A 204 -10.972 -8.949 -10.535 1.00 51.44 H new ATOM 0 HB2 GLU A 204 -8.153 -9.616 -11.501 1.00 72.05 H new ATOM 0 HB3 GLU A 204 -9.152 -10.595 -10.445 1.00 72.05 H new ATOM 0 HG2 GLU A 204 -10.785 -10.896 -12.324 1.00 62.44 H new ATOM 0 HG3 GLU A 204 -9.712 -9.989 -13.371 1.00 62.44 H new ATOM 947 N LYS A 205 -9.520 -8.360 -8.519 1.00 73.14 N ATOM 948 CA LYS A 205 -8.790 -7.864 -7.349 1.00 24.52 C ATOM 949 C LYS A 205 -7.470 -8.627 -7.186 1.00 65.12 C ATOM 950 O LYS A 205 -7.443 -9.732 -6.641 1.00 70.41 O ATOM 951 CB LYS A 205 -9.649 -8.019 -6.086 1.00 34.11 C ATOM 952 CG LYS A 205 -10.867 -7.100 -6.053 1.00 34.43 C ATOM 953 CD LYS A 205 -11.878 -7.524 -4.990 1.00 13.11 C ATOM 954 CE LYS A 205 -11.255 -7.600 -3.601 1.00 52.53 C ATOM 955 NZ LYS A 205 -12.228 -8.080 -2.588 1.00 63.32 N ATOM 0 H LYS A 205 -10.242 -9.047 -8.301 1.00 73.14 H new ATOM 0 HA LYS A 205 -8.568 -6.807 -7.496 1.00 24.52 H new ATOM 0 HB2 LYS A 205 -9.984 -9.054 -6.010 1.00 34.11 H new ATOM 0 HB3 LYS A 205 -9.031 -7.819 -5.211 1.00 34.11 H new ATOM 0 HG2 LYS A 205 -10.544 -6.077 -5.858 1.00 34.43 H new ATOM 0 HG3 LYS A 205 -11.348 -7.101 -7.031 1.00 34.43 H new ATOM 0 HD2 LYS A 205 -12.707 -6.816 -4.976 1.00 13.11 H new ATOM 0 HD3 LYS A 205 -12.294 -8.497 -5.254 1.00 13.11 H new ATOM 0 HE2 LYS A 205 -10.394 -8.269 -3.624 1.00 52.53 H new ATOM 0 HE3 LYS A 205 -10.886 -6.615 -3.313 1.00 52.53 H new ATOM 0 HZ1 LYS A 205 -11.768 -8.119 -1.656 1.00 63.32 H new ATOM 0 HZ2 LYS A 205 -13.037 -7.428 -2.548 1.00 63.32 H new ATOM 0 HZ3 LYS A 205 -12.561 -9.030 -2.849 1.00 63.32 H new ATOM 969 N LYS A 206 -6.380 -8.043 -7.679 1.00 53.12 N ATOM 970 CA LYS A 206 -5.075 -8.712 -7.675 1.00 33.23 C ATOM 971 C LYS A 206 -4.216 -8.289 -6.471 1.00 12.22 C ATOM 972 O LYS A 206 -3.786 -7.133 -6.375 1.00 14.42 O ATOM 973 CB LYS A 206 -4.339 -8.429 -8.992 1.00 41.43 C ATOM 974 CG LYS A 206 -5.108 -8.911 -10.219 1.00 11.42 C ATOM 975 CD LYS A 206 -4.331 -8.695 -11.513 1.00 62.32 C ATOM 976 CE LYS A 206 -5.111 -9.201 -12.724 1.00 40.43 C ATOM 977 NZ LYS A 206 -5.394 -10.660 -12.642 1.00 23.51 N ATOM 0 H LYS A 206 -6.372 -7.108 -8.087 1.00 53.12 H new ATOM 0 HA LYS A 206 -5.248 -9.784 -7.584 1.00 33.23 H new ATOM 0 HB2 LYS A 206 -4.161 -7.357 -9.079 1.00 41.43 H new ATOM 0 HB3 LYS A 206 -3.363 -8.914 -8.968 1.00 41.43 H new ATOM 0 HG2 LYS A 206 -5.336 -9.971 -10.108 1.00 11.42 H new ATOM 0 HG3 LYS A 206 -6.060 -8.384 -10.278 1.00 11.42 H new ATOM 0 HD2 LYS A 206 -4.114 -7.634 -11.636 1.00 62.32 H new ATOM 0 HD3 LYS A 206 -3.373 -9.211 -11.454 1.00 62.32 H new ATOM 0 HE2 LYS A 206 -6.051 -8.654 -12.803 1.00 40.43 H new ATOM 0 HE3 LYS A 206 -4.544 -8.993 -13.632 1.00 40.43 H new ATOM 0 HZ1 LYS A 206 -5.051 -11.129 -13.505 1.00 23.51 H new ATOM 0 HZ2 LYS A 206 -4.910 -11.062 -11.814 1.00 23.51 H new ATOM 0 HZ3 LYS A 206 -6.419 -10.810 -12.550 1.00 23.51 H new ATOM 991 N PRO A 207 -3.974 -9.220 -5.523 1.00 23.52 N ATOM 992 CA PRO A 207 -3.144 -8.957 -4.332 1.00 14.21 C ATOM 993 C PRO A 207 -1.689 -8.586 -4.671 1.00 61.02 C ATOM 994 O PRO A 207 -1.088 -9.141 -5.598 1.00 3.31 O ATOM 995 CB PRO A 207 -3.186 -10.285 -3.559 1.00 13.31 C ATOM 996 CG PRO A 207 -4.397 -10.989 -4.071 1.00 73.15 C ATOM 997 CD PRO A 207 -4.509 -10.596 -5.517 1.00 14.03 C ATOM 0 HA PRO A 207 -3.523 -8.102 -3.772 1.00 14.21 H new ATOM 0 HB2 PRO A 207 -2.284 -10.872 -3.733 1.00 13.31 H new ATOM 0 HB3 PRO A 207 -3.253 -10.115 -2.484 1.00 13.31 H new ATOM 0 HG2 PRO A 207 -4.297 -12.069 -3.965 1.00 73.15 H new ATOM 0 HG3 PRO A 207 -5.287 -10.695 -3.514 1.00 73.15 H new ATOM 0 HD2 PRO A 207 -3.931 -11.258 -6.162 1.00 14.03 H new ATOM 0 HD3 PRO A 207 -5.541 -10.631 -5.867 1.00 14.03 H new ATOM 1005 N ILE A 208 -1.126 -7.662 -3.894 1.00 74.05 N ATOM 1006 CA ILE A 208 0.240 -7.170 -4.102 1.00 73.15 C ATOM 1007 C ILE A 208 1.157 -7.582 -2.940 1.00 33.41 C ATOM 1008 O ILE A 208 0.787 -7.449 -1.771 1.00 5.10 O ATOM 1009 CB ILE A 208 0.248 -5.625 -4.227 1.00 10.31 C ATOM 1010 CG1 ILE A 208 -0.700 -5.181 -5.354 1.00 64.12 C ATOM 1011 CG2 ILE A 208 1.666 -5.106 -4.475 1.00 35.35 C ATOM 1012 CD1 ILE A 208 -0.862 -3.680 -5.465 1.00 74.10 C ATOM 0 H ILE A 208 -1.602 -7.231 -3.101 1.00 74.05 H new ATOM 0 HA ILE A 208 0.612 -7.614 -5.025 1.00 73.15 H new ATOM 0 HB ILE A 208 -0.104 -5.199 -3.287 1.00 10.31 H new ATOM 0 HG12 ILE A 208 -0.327 -5.567 -6.302 1.00 64.12 H new ATOM 0 HG13 ILE A 208 -1.679 -5.631 -5.190 1.00 64.12 H new ATOM 0 HG21 ILE A 208 1.646 -4.019 -4.559 1.00 35.35 H new ATOM 0 HG22 ILE A 208 2.309 -5.394 -3.644 1.00 35.35 H new ATOM 0 HG23 ILE A 208 2.054 -5.535 -5.399 1.00 35.35 H new ATOM 0 HD11 ILE A 208 -1.545 -3.447 -6.282 1.00 74.10 H new ATOM 0 HD12 ILE A 208 -1.266 -3.288 -4.532 1.00 74.10 H new ATOM 0 HD13 ILE A 208 0.108 -3.223 -5.661 1.00 74.10 H new ATOM 1024 N GLY A 209 2.349 -8.077 -3.261 1.00 12.30 N ATOM 1025 CA GLY A 209 3.297 -8.479 -2.226 1.00 12.45 C ATOM 1026 C GLY A 209 3.955 -7.290 -1.529 1.00 15.31 C ATOM 1027 O GLY A 209 4.421 -6.357 -2.183 1.00 12.42 O ATOM 0 H GLY A 209 2.679 -8.208 -4.217 1.00 12.30 H new ATOM 0 HA2 GLY A 209 2.781 -9.088 -1.484 1.00 12.45 H new ATOM 0 HA3 GLY A 209 4.070 -9.106 -2.672 1.00 12.45 H new ATOM 1031 N TRP A 210 4.012 -7.330 -0.195 1.00 22.44 N ATOM 1032 CA TRP A 210 4.641 -6.259 0.587 1.00 73.22 C ATOM 1033 C TRP A 210 6.130 -6.102 0.225 1.00 62.43 C ATOM 1034 O TRP A 210 6.706 -5.022 0.362 1.00 1.31 O ATOM 1035 CB TRP A 210 4.492 -6.542 2.090 1.00 53.24 C ATOM 1036 CG TRP A 210 3.093 -6.369 2.619 1.00 54.32 C ATOM 1037 CD1 TRP A 210 2.134 -7.334 2.765 1.00 71.44 C ATOM 1038 CD2 TRP A 210 2.507 -5.149 3.090 1.00 55.44 C ATOM 1039 NE1 TRP A 210 0.992 -6.784 3.298 1.00 71.43 N ATOM 1040 CE2 TRP A 210 1.196 -5.446 3.503 1.00 21.31 C ATOM 1041 CE3 TRP A 210 2.967 -3.834 3.200 1.00 3.41 C ATOM 1042 CZ2 TRP A 210 0.343 -4.475 4.022 1.00 2.04 C ATOM 1043 CZ3 TRP A 210 2.119 -2.872 3.713 1.00 40.52 C ATOM 1044 CH2 TRP A 210 0.819 -3.197 4.121 1.00 33.11 C ATOM 0 H TRP A 210 3.631 -8.091 0.367 1.00 22.44 H new ATOM 0 HA TRP A 210 4.134 -5.325 0.345 1.00 73.22 H new ATOM 0 HB2 TRP A 210 4.819 -7.562 2.290 1.00 53.24 H new ATOM 0 HB3 TRP A 210 5.160 -5.879 2.640 1.00 53.24 H new ATOM 0 HD1 TRP A 210 2.256 -8.374 2.501 1.00 71.44 H new ATOM 0 HE1 TRP A 210 0.132 -7.291 3.507 1.00 71.43 H new ATOM 0 HE3 TRP A 210 3.968 -3.574 2.889 1.00 3.41 H new ATOM 0 HZ2 TRP A 210 -0.660 -4.723 4.336 1.00 2.04 H new ATOM 0 HZ3 TRP A 210 2.464 -1.852 3.801 1.00 40.52 H new ATOM 0 HH2 TRP A 210 0.180 -2.423 4.521 1.00 33.11 H new ATOM 1055 N ASP A 211 6.741 -7.186 -0.251 1.00 15.44 N ATOM 1056 CA ASP A 211 8.157 -7.183 -0.636 1.00 52.11 C ATOM 1057 C ASP A 211 8.376 -6.663 -2.075 1.00 40.20 C ATOM 1058 O ASP A 211 9.498 -6.691 -2.590 1.00 34.51 O ATOM 1059 CB ASP A 211 8.739 -8.593 -0.472 1.00 34.02 C ATOM 1060 CG ASP A 211 7.987 -9.635 -1.282 1.00 10.11 C ATOM 1061 OD1 ASP A 211 6.830 -9.951 -0.928 1.00 14.14 O ATOM 1062 OD2 ASP A 211 8.544 -10.146 -2.278 1.00 54.42 O ATOM 0 H ASP A 211 6.276 -8.085 -0.381 1.00 15.44 H new ATOM 0 HA ASP A 211 8.680 -6.494 0.026 1.00 52.11 H new ATOM 0 HB2 ASP A 211 9.785 -8.587 -0.777 1.00 34.02 H new ATOM 0 HB3 ASP A 211 8.715 -8.871 0.582 1.00 34.02 H new ATOM 1067 N THR A 212 7.304 -6.185 -2.715 1.00 64.24 N ATOM 1068 CA THR A 212 7.398 -5.574 -4.053 1.00 44.02 C ATOM 1069 C THR A 212 7.797 -4.095 -3.955 1.00 44.34 C ATOM 1070 O THR A 212 7.355 -3.388 -3.051 1.00 61.24 O ATOM 1071 CB THR A 212 6.053 -5.678 -4.826 1.00 54.21 C ATOM 1072 OG1 THR A 212 5.680 -7.053 -5.005 1.00 21.32 O ATOM 1073 CG2 THR A 212 6.137 -5.003 -6.194 1.00 55.42 C ATOM 0 H THR A 212 6.359 -6.208 -2.331 1.00 64.24 H new ATOM 0 HA THR A 212 8.164 -6.126 -4.597 1.00 44.02 H new ATOM 0 HB THR A 212 5.299 -5.165 -4.229 1.00 54.21 H new ATOM 0 HG1 THR A 212 5.140 -7.347 -4.242 1.00 21.32 H new ATOM 0 HG21 THR A 212 5.179 -5.096 -6.705 1.00 55.42 H new ATOM 0 HG22 THR A 212 6.379 -3.948 -6.065 1.00 55.42 H new ATOM 0 HG23 THR A 212 6.914 -5.483 -6.789 1.00 55.42 H new ATOM 1081 N ASP A 213 8.639 -3.629 -4.877 1.00 1.00 N ATOM 1082 CA ASP A 213 9.043 -2.216 -4.904 1.00 52.01 C ATOM 1083 C ASP A 213 7.835 -1.296 -5.142 1.00 2.15 C ATOM 1084 O ASP A 213 7.055 -1.505 -6.073 1.00 45.25 O ATOM 1085 CB ASP A 213 10.091 -1.975 -5.993 1.00 52.32 C ATOM 1086 CG ASP A 213 11.333 -2.822 -5.798 1.00 52.10 C ATOM 1087 OD1 ASP A 213 11.341 -3.983 -6.259 1.00 65.20 O ATOM 1088 OD2 ASP A 213 12.305 -2.336 -5.184 1.00 72.25 O ATOM 0 H ASP A 213 9.054 -4.201 -5.612 1.00 1.00 H new ATOM 0 HA ASP A 213 9.474 -1.981 -3.931 1.00 52.01 H new ATOM 0 HB2 ASP A 213 9.655 -2.194 -6.968 1.00 52.32 H new ATOM 0 HB3 ASP A 213 10.370 -0.921 -5.998 1.00 52.32 H new ATOM 1093 N ILE A 214 7.701 -0.266 -4.306 1.00 1.23 N ATOM 1094 CA ILE A 214 6.589 0.690 -4.405 1.00 0.24 C ATOM 1095 C ILE A 214 6.570 1.402 -5.775 1.00 14.05 C ATOM 1096 O ILE A 214 5.531 1.887 -6.225 1.00 1.13 O ATOM 1097 CB ILE A 214 6.664 1.746 -3.264 1.00 72.25 C ATOM 1098 CG1 ILE A 214 5.372 2.583 -3.196 1.00 34.14 C ATOM 1099 CG2 ILE A 214 7.885 2.649 -3.433 1.00 70.42 C ATOM 1100 CD1 ILE A 214 4.145 1.782 -2.806 1.00 4.22 C ATOM 0 H ILE A 214 8.352 -0.069 -3.546 1.00 1.23 H new ATOM 0 HA ILE A 214 5.665 0.120 -4.304 1.00 0.24 H new ATOM 0 HB ILE A 214 6.767 1.209 -2.321 1.00 72.25 H new ATOM 0 HG12 ILE A 214 5.511 3.391 -2.478 1.00 34.14 H new ATOM 0 HG13 ILE A 214 5.199 3.046 -4.167 1.00 34.14 H new ATOM 0 HG21 ILE A 214 7.914 3.378 -2.623 1.00 70.42 H new ATOM 0 HG22 ILE A 214 8.791 2.044 -3.409 1.00 70.42 H new ATOM 0 HG23 ILE A 214 7.822 3.171 -4.388 1.00 70.42 H new ATOM 0 HD11 ILE A 214 3.275 2.439 -2.779 1.00 4.22 H new ATOM 0 HD12 ILE A 214 3.980 0.990 -3.537 1.00 4.22 H new ATOM 0 HD13 ILE A 214 4.297 1.340 -1.821 1.00 4.22 H new ATOM 1112 N SER A 215 7.726 1.434 -6.439 1.00 42.20 N ATOM 1113 CA SER A 215 7.864 2.064 -7.762 1.00 64.30 C ATOM 1114 C SER A 215 6.995 1.370 -8.824 1.00 31.44 C ATOM 1115 O SER A 215 6.594 1.986 -9.811 1.00 20.50 O ATOM 1116 CB SER A 215 9.332 2.046 -8.207 1.00 52.42 C ATOM 1117 OG SER A 215 9.839 0.721 -8.244 1.00 22.44 O ATOM 0 H SER A 215 8.591 1.028 -6.082 1.00 42.20 H new ATOM 0 HA SER A 215 7.520 3.094 -7.667 1.00 64.30 H new ATOM 0 HB2 SER A 215 9.422 2.501 -9.194 1.00 52.42 H new ATOM 0 HB3 SER A 215 9.930 2.648 -7.523 1.00 52.42 H new ATOM 0 HG SER A 215 10.776 0.737 -8.532 1.00 22.44 H new ATOM 1123 N TRP A 216 6.712 0.082 -8.622 1.00 52.11 N ATOM 1124 CA TRP A 216 5.814 -0.666 -9.517 1.00 12.13 C ATOM 1125 C TRP A 216 4.379 -0.116 -9.447 1.00 35.11 C ATOM 1126 O TRP A 216 3.581 -0.287 -10.373 1.00 32.44 O ATOM 1127 CB TRP A 216 5.808 -2.160 -9.142 1.00 13.20 C ATOM 1128 CG TRP A 216 7.107 -2.873 -9.402 1.00 74.11 C ATOM 1129 CD1 TRP A 216 8.366 -2.433 -9.106 1.00 3.40 C ATOM 1130 CD2 TRP A 216 7.267 -4.166 -10.000 1.00 55.20 C ATOM 1131 NE1 TRP A 216 9.295 -3.371 -9.489 1.00 20.10 N ATOM 1132 CE2 TRP A 216 8.646 -4.441 -10.040 1.00 21.53 C ATOM 1133 CE3 TRP A 216 6.377 -5.115 -10.508 1.00 52.44 C ATOM 1134 CZ2 TRP A 216 9.156 -5.627 -10.564 1.00 41.32 C ATOM 1135 CZ3 TRP A 216 6.882 -6.291 -11.026 1.00 70.21 C ATOM 1136 CH2 TRP A 216 8.261 -6.537 -11.053 1.00 52.44 C ATOM 0 H TRP A 216 7.088 -0.468 -7.850 1.00 52.11 H new ATOM 0 HA TRP A 216 6.185 -0.548 -10.535 1.00 12.13 H new ATOM 0 HB2 TRP A 216 5.561 -2.255 -8.085 1.00 13.20 H new ATOM 0 HB3 TRP A 216 5.016 -2.659 -9.701 1.00 13.20 H new ATOM 0 HD1 TRP A 216 8.597 -1.487 -8.639 1.00 3.40 H new ATOM 0 HE1 TRP A 216 10.305 -3.283 -9.380 1.00 20.10 H new ATOM 0 HE3 TRP A 216 5.313 -4.932 -10.496 1.00 52.44 H new ATOM 0 HZ2 TRP A 216 10.218 -5.820 -10.583 1.00 41.32 H new ATOM 0 HZ3 TRP A 216 6.202 -7.034 -11.417 1.00 70.21 H new ATOM 0 HH2 TRP A 216 8.624 -7.465 -11.469 1.00 52.44 H new ATOM 1147 N LEU A 217 4.069 0.551 -8.339 1.00 42.13 N ATOM 1148 CA LEU A 217 2.720 1.060 -8.075 1.00 31.32 C ATOM 1149 C LEU A 217 2.659 2.594 -8.194 1.00 43.12 C ATOM 1150 O LEU A 217 1.682 3.221 -7.779 1.00 74.21 O ATOM 1151 CB LEU A 217 2.285 0.618 -6.671 1.00 13.43 C ATOM 1152 CG LEU A 217 2.426 -0.891 -6.399 1.00 73.22 C ATOM 1153 CD1 LEU A 217 2.100 -1.215 -4.944 1.00 53.33 C ATOM 1154 CD2 LEU A 217 1.536 -1.697 -7.345 1.00 60.43 C ATOM 0 H LEU A 217 4.741 0.755 -7.599 1.00 42.13 H new ATOM 0 HA LEU A 217 2.041 0.650 -8.822 1.00 31.32 H new ATOM 0 HB2 LEU A 217 2.875 1.163 -5.934 1.00 13.43 H new ATOM 0 HB3 LEU A 217 1.244 0.905 -6.521 1.00 13.43 H new ATOM 0 HG LEU A 217 3.463 -1.172 -6.584 1.00 73.22 H new ATOM 0 HD11 LEU A 217 2.207 -2.287 -4.777 1.00 53.33 H new ATOM 0 HD12 LEU A 217 2.784 -0.676 -4.289 1.00 53.33 H new ATOM 0 HD13 LEU A 217 1.076 -0.914 -4.725 1.00 53.33 H new ATOM 0 HD21 LEU A 217 1.651 -2.760 -7.135 1.00 60.43 H new ATOM 0 HD22 LEU A 217 0.495 -1.409 -7.199 1.00 60.43 H new ATOM 0 HD23 LEU A 217 1.826 -1.497 -8.376 1.00 60.43 H new ATOM 1166 N THR A 218 3.705 3.189 -8.772 1.00 74.41 N ATOM 1167 CA THR A 218 3.777 4.647 -8.955 1.00 73.12 C ATOM 1168 C THR A 218 2.532 5.205 -9.667 1.00 70.30 C ATOM 1169 O THR A 218 2.248 4.855 -10.816 1.00 12.51 O ATOM 1170 CB THR A 218 5.033 5.056 -9.764 1.00 31.14 C ATOM 1171 OG1 THR A 218 6.223 4.683 -9.056 1.00 54.12 O ATOM 1172 CG2 THR A 218 5.057 6.558 -10.036 1.00 5.54 C ATOM 0 H THR A 218 4.519 2.684 -9.124 1.00 74.41 H new ATOM 0 HA THR A 218 3.832 5.071 -7.953 1.00 73.12 H new ATOM 0 HB THR A 218 4.993 4.532 -10.719 1.00 31.14 H new ATOM 0 HG1 THR A 218 6.531 3.808 -9.372 1.00 54.12 H new ATOM 0 HG21 THR A 218 5.951 6.810 -10.605 1.00 5.54 H new ATOM 0 HG22 THR A 218 4.172 6.839 -10.607 1.00 5.54 H new ATOM 0 HG23 THR A 218 5.065 7.099 -9.090 1.00 5.54 H new ATOM 1180 N GLY A 219 1.801 6.077 -8.975 1.00 42.14 N ATOM 1181 CA GLY A 219 0.625 6.716 -9.556 1.00 4.11 C ATOM 1182 C GLY A 219 -0.645 5.864 -9.502 1.00 51.05 C ATOM 1183 O GLY A 219 -1.635 6.185 -10.165 1.00 72.01 O ATOM 0 H GLY A 219 2.002 6.356 -8.015 1.00 42.14 H new ATOM 0 HA2 GLY A 219 0.441 7.655 -9.034 1.00 4.11 H new ATOM 0 HA3 GLY A 219 0.838 6.965 -10.596 1.00 4.11 H new ATOM 1187 N GLU A 220 -0.628 4.788 -8.716 1.00 63.10 N ATOM 1188 CA GLU A 220 -1.801 3.911 -8.570 1.00 3.31 C ATOM 1189 C GLU A 220 -2.511 4.101 -7.222 1.00 64.34 C ATOM 1190 O GLU A 220 -1.965 4.688 -6.282 1.00 3.22 O ATOM 1191 CB GLU A 220 -1.397 2.435 -8.727 1.00 13.11 C ATOM 1192 CG GLU A 220 -1.013 2.042 -10.149 1.00 4.22 C ATOM 1193 CD GLU A 220 -2.140 2.268 -11.147 1.00 12.50 C ATOM 1194 OE1 GLU A 220 -3.316 2.022 -10.800 1.00 52.10 O ATOM 1195 OE2 GLU A 220 -1.856 2.680 -12.290 1.00 54.21 O ATOM 0 H GLU A 220 0.182 4.498 -8.169 1.00 63.10 H new ATOM 0 HA GLU A 220 -2.498 4.191 -9.360 1.00 3.31 H new ATOM 0 HB2 GLU A 220 -0.557 2.227 -8.065 1.00 13.11 H new ATOM 0 HB3 GLU A 220 -2.225 1.806 -8.399 1.00 13.11 H new ATOM 0 HG2 GLU A 220 -0.140 2.617 -10.457 1.00 4.22 H new ATOM 0 HG3 GLU A 220 -0.724 0.991 -10.165 1.00 4.22 H new ATOM 1202 N GLU A 221 -3.742 3.595 -7.148 1.00 11.13 N ATOM 1203 CA GLU A 221 -4.520 3.592 -5.908 1.00 23.02 C ATOM 1204 C GLU A 221 -4.522 2.193 -5.276 1.00 30.22 C ATOM 1205 O GLU A 221 -5.031 1.234 -5.859 1.00 52.24 O ATOM 1206 CB GLU A 221 -5.970 4.036 -6.168 1.00 12.51 C ATOM 1207 CG GLU A 221 -6.129 5.491 -6.612 1.00 44.21 C ATOM 1208 CD GLU A 221 -5.591 5.758 -8.009 1.00 74.14 C ATOM 1209 OE1 GLU A 221 -5.915 4.980 -8.939 1.00 53.42 O ATOM 1210 OE2 GLU A 221 -4.866 6.763 -8.193 1.00 42.23 O ATOM 0 H GLU A 221 -4.227 3.177 -7.942 1.00 11.13 H new ATOM 0 HA GLU A 221 -4.052 4.297 -5.221 1.00 23.02 H new ATOM 0 HB2 GLU A 221 -6.401 3.389 -6.932 1.00 12.51 H new ATOM 0 HB3 GLU A 221 -6.550 3.884 -5.258 1.00 12.51 H new ATOM 0 HG2 GLU A 221 -7.185 5.760 -6.580 1.00 44.21 H new ATOM 0 HG3 GLU A 221 -5.614 6.138 -5.902 1.00 44.21 H new ATOM 1217 N LEU A 222 -3.959 2.080 -4.081 1.00 21.44 N ATOM 1218 CA LEU A 222 -3.886 0.796 -3.383 1.00 41.43 C ATOM 1219 C LEU A 222 -5.074 0.619 -2.433 1.00 61.22 C ATOM 1220 O LEU A 222 -5.571 1.582 -1.855 1.00 75.25 O ATOM 1221 CB LEU A 222 -2.569 0.682 -2.604 1.00 3.11 C ATOM 1222 CG LEU A 222 -1.295 0.790 -3.457 1.00 11.31 C ATOM 1223 CD1 LEU A 222 -0.055 0.533 -2.603 1.00 3.41 C ATOM 1224 CD2 LEU A 222 -1.358 -0.170 -4.644 1.00 65.53 C ATOM 0 H LEU A 222 -3.545 2.860 -3.571 1.00 21.44 H new ATOM 0 HA LEU A 222 -3.924 0.005 -4.132 1.00 41.43 H new ATOM 0 HB2 LEU A 222 -2.546 1.463 -1.844 1.00 3.11 H new ATOM 0 HB3 LEU A 222 -2.557 -0.274 -2.080 1.00 3.11 H new ATOM 0 HG LEU A 222 -1.227 1.804 -3.851 1.00 11.31 H new ATOM 0 HD11 LEU A 222 0.837 0.614 -3.224 1.00 3.41 H new ATOM 0 HD12 LEU A 222 -0.007 1.269 -1.801 1.00 3.41 H new ATOM 0 HD13 LEU A 222 -0.110 -0.468 -2.174 1.00 3.41 H new ATOM 0 HD21 LEU A 222 -0.447 -0.078 -5.235 1.00 65.53 H new ATOM 0 HD22 LEU A 222 -1.453 -1.193 -4.280 1.00 65.53 H new ATOM 0 HD23 LEU A 222 -2.220 0.075 -5.265 1.00 65.53 H new ATOM 1236 N HIS A 223 -5.537 -0.615 -2.286 1.00 51.21 N ATOM 1237 CA HIS A 223 -6.669 -0.918 -1.406 1.00 72.43 C ATOM 1238 C HIS A 223 -6.260 -1.943 -0.340 1.00 21.13 C ATOM 1239 O HIS A 223 -5.893 -3.074 -0.663 1.00 52.24 O ATOM 1240 CB HIS A 223 -7.839 -1.447 -2.245 1.00 55.25 C ATOM 1241 CG HIS A 223 -8.159 -0.576 -3.429 1.00 20.20 C ATOM 1242 ND1 HIS A 223 -7.842 -0.710 -4.742 1.00 75.24 N flip ATOM 1243 CD2 HIS A 223 -8.862 0.606 -3.333 1.00 44.32 C flip ATOM 1244 CE1 HIS A 223 -8.354 0.382 -5.397 1.00 34.11 C flip ATOM 1245 NE2 HIS A 223 -8.962 1.157 -4.526 1.00 61.11 N flip ATOM 0 H HIS A 223 -5.148 -1.428 -2.764 1.00 51.21 H new ATOM 0 HA HIS A 223 -6.981 -0.007 -0.895 1.00 72.43 H new ATOM 0 HB2 HIS A 223 -7.602 -2.452 -2.595 1.00 55.25 H new ATOM 0 HB3 HIS A 223 -8.723 -1.529 -1.613 1.00 55.25 H new ATOM 0 HD2 HIS A 223 -9.268 1.017 -2.421 1.00 44.32 H new ATOM 0 HE1 HIS A 223 -8.271 0.574 -6.457 1.00 34.11 H new ATOM 0 HE2 HIS A 223 -9.432 2.037 -4.738 1.00 61.11 H new ATOM 1254 N VAL A 224 -6.309 -1.538 0.928 1.00 71.35 N ATOM 1255 CA VAL A 224 -5.850 -2.388 2.031 1.00 45.12 C ATOM 1256 C VAL A 224 -7.014 -2.996 2.833 1.00 40.41 C ATOM 1257 O VAL A 224 -7.847 -2.278 3.393 1.00 41.41 O ATOM 1258 CB VAL A 224 -4.930 -1.597 2.994 1.00 61.23 C ATOM 1259 CG1 VAL A 224 -4.464 -2.477 4.153 1.00 71.12 C ATOM 1260 CG2 VAL A 224 -3.734 -1.016 2.241 1.00 23.13 C ATOM 0 H VAL A 224 -6.662 -0.626 1.220 1.00 71.35 H new ATOM 0 HA VAL A 224 -5.292 -3.204 1.572 1.00 45.12 H new ATOM 0 HB VAL A 224 -5.507 -0.771 3.410 1.00 61.23 H new ATOM 0 HG11 VAL A 224 -3.820 -1.897 4.814 1.00 71.12 H new ATOM 0 HG12 VAL A 224 -5.330 -2.833 4.711 1.00 71.12 H new ATOM 0 HG13 VAL A 224 -3.909 -3.330 3.762 1.00 71.12 H new ATOM 0 HG21 VAL A 224 -3.100 -0.464 2.935 1.00 23.13 H new ATOM 0 HG22 VAL A 224 -3.160 -1.825 1.790 1.00 23.13 H new ATOM 0 HG23 VAL A 224 -4.088 -0.343 1.460 1.00 23.13 H new ATOM 1270 N GLU A 225 -7.056 -4.325 2.884 1.00 2.23 N ATOM 1271 CA GLU A 225 -8.021 -5.056 3.718 1.00 35.12 C ATOM 1272 C GLU A 225 -7.326 -5.675 4.945 1.00 1.51 C ATOM 1273 O GLU A 225 -6.100 -5.777 4.990 1.00 2.52 O ATOM 1274 CB GLU A 225 -8.714 -6.157 2.895 1.00 52.41 C ATOM 1275 CG GLU A 225 -9.722 -5.639 1.869 1.00 13.42 C ATOM 1276 CD GLU A 225 -10.973 -5.060 2.515 1.00 72.41 C ATOM 1277 OE1 GLU A 225 -11.816 -5.851 2.996 1.00 3.34 O ATOM 1278 OE2 GLU A 225 -11.120 -3.820 2.552 1.00 21.15 O ATOM 0 H GLU A 225 -6.428 -4.928 2.353 1.00 2.23 H new ATOM 0 HA GLU A 225 -8.772 -4.348 4.067 1.00 35.12 H new ATOM 0 HB2 GLU A 225 -7.953 -6.739 2.376 1.00 52.41 H new ATOM 0 HB3 GLU A 225 -9.225 -6.836 3.577 1.00 52.41 H new ATOM 0 HG2 GLU A 225 -9.248 -4.874 1.254 1.00 13.42 H new ATOM 0 HG3 GLU A 225 -10.006 -6.453 1.202 1.00 13.42 H new ATOM 1285 N VAL A 226 -8.114 -6.086 5.934 1.00 51.44 N ATOM 1286 CA VAL A 226 -7.576 -6.687 7.160 1.00 35.33 C ATOM 1287 C VAL A 226 -7.445 -8.217 7.028 1.00 54.03 C ATOM 1288 O VAL A 226 -8.417 -8.909 6.715 1.00 55.40 O ATOM 1289 CB VAL A 226 -8.469 -6.353 8.384 1.00 51.31 C ATOM 1290 CG1 VAL A 226 -7.883 -6.946 9.667 1.00 73.15 C ATOM 1291 CG2 VAL A 226 -8.659 -4.840 8.516 1.00 54.32 C ATOM 0 H VAL A 226 -9.131 -6.015 5.914 1.00 51.44 H new ATOM 0 HA VAL A 226 -6.584 -6.261 7.313 1.00 35.33 H new ATOM 0 HB VAL A 226 -9.448 -6.805 8.225 1.00 51.31 H new ATOM 0 HG11 VAL A 226 -8.528 -6.698 10.510 1.00 73.15 H new ATOM 0 HG12 VAL A 226 -7.815 -8.029 9.569 1.00 73.15 H new ATOM 0 HG13 VAL A 226 -6.888 -6.534 9.837 1.00 73.15 H new ATOM 0 HG21 VAL A 226 -9.288 -4.626 9.380 1.00 54.32 H new ATOM 0 HG22 VAL A 226 -7.688 -4.361 8.646 1.00 54.32 H new ATOM 0 HG23 VAL A 226 -9.136 -4.453 7.615 1.00 54.32 H new ATOM 1301 N LEU A 227 -6.239 -8.736 7.261 1.00 44.14 N ATOM 1302 CA LEU A 227 -5.995 -10.187 7.224 1.00 44.45 C ATOM 1303 C LEU A 227 -6.536 -10.881 8.482 1.00 72.02 C ATOM 1304 O LEU A 227 -7.231 -11.896 8.397 1.00 22.24 O ATOM 1305 CB LEU A 227 -4.493 -10.476 7.087 1.00 44.20 C ATOM 1306 CG LEU A 227 -3.883 -10.160 5.716 1.00 22.43 C ATOM 1307 CD1 LEU A 227 -2.372 -10.379 5.738 1.00 42.14 C ATOM 1308 CD2 LEU A 227 -4.538 -11.017 4.632 1.00 44.04 C ATOM 0 H LEU A 227 -5.413 -8.178 7.478 1.00 44.14 H new ATOM 0 HA LEU A 227 -6.523 -10.584 6.357 1.00 44.45 H new ATOM 0 HB2 LEU A 227 -3.960 -9.901 7.844 1.00 44.20 H new ATOM 0 HB3 LEU A 227 -4.322 -11.530 7.307 1.00 44.20 H new ATOM 0 HG LEU A 227 -4.071 -9.111 5.486 1.00 22.43 H new ATOM 0 HD11 LEU A 227 -1.957 -10.150 4.757 1.00 42.14 H new ATOM 0 HD12 LEU A 227 -1.920 -9.726 6.485 1.00 42.14 H new ATOM 0 HD13 LEU A 227 -2.159 -11.418 5.989 1.00 42.14 H new ATOM 0 HD21 LEU A 227 -4.095 -10.781 3.665 1.00 44.04 H new ATOM 0 HD22 LEU A 227 -4.379 -12.072 4.857 1.00 44.04 H new ATOM 0 HD23 LEU A 227 -5.608 -10.810 4.601 1.00 44.04 H new