USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 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 198 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 167 THR OG1 : rot 180:sc=-0.00735 USER MOD Set 2.2: A 187 MET CE :methyl -117:sc= -0.206 (180deg=-2.41!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN :FLIP amide:sc= -0.419 F(o=-2.3!,f=-0.42) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.67) USER MOD Single : A 173 CYS SG : rot 180:sc= -0.0107 USER MOD Single : A 176 THR OG1 : rot -98:sc= 1.31 USER MOD Single : A 180 SER OG : rot -140:sc= 0.232 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl 137:sc= -0.181 (180deg=-1.27) USER MOD Single : A 194 CYS SG : rot -27:sc= 0.438 USER MOD Single : A 195 CYS SG : rot 5:sc= -0.134 USER MOD Single : A 201 GLN : amide:sc= 0.144 K(o=0.14,f=-2.7!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 89:sc= 0.0971 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 84:sc= 0.764 USER MOD Single : A 223 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.0085) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.045 15.081 -7.332 1.00 60.03 N ATOM 115 CA LYS A 154 7.601 13.762 -7.650 1.00 54.13 C ATOM 116 C LYS A 154 6.487 12.698 -7.656 1.00 54.21 C ATOM 117 O LYS A 154 5.454 12.883 -7.008 1.00 40.43 O ATOM 118 CB LYS A 154 8.692 13.400 -6.627 1.00 1.05 C ATOM 119 CG LYS A 154 9.894 14.343 -6.659 1.00 21.24 C ATOM 120 CD LYS A 154 10.913 14.021 -5.568 1.00 13.22 C ATOM 121 CE LYS A 154 12.109 14.971 -5.618 1.00 60.14 C ATOM 122 NZ LYS A 154 13.020 14.793 -4.456 1.00 10.53 N ATOM 0 HA LYS A 154 8.047 13.792 -8.644 1.00 54.13 H new ATOM 0 HB2 LYS A 154 8.259 13.410 -5.627 1.00 1.05 H new ATOM 0 HB3 LYS A 154 9.033 12.382 -6.816 1.00 1.05 H new ATOM 0 HG2 LYS A 154 10.377 14.279 -7.634 1.00 21.24 H new ATOM 0 HG3 LYS A 154 9.550 15.370 -6.540 1.00 21.24 H new ATOM 0 HD2 LYS A 154 10.435 14.088 -4.591 1.00 13.22 H new ATOM 0 HD3 LYS A 154 11.258 12.994 -5.684 1.00 13.22 H new ATOM 0 HE2 LYS A 154 12.664 14.804 -6.541 1.00 60.14 H new ATOM 0 HE3 LYS A 154 11.752 16.000 -5.642 1.00 60.14 H new ATOM 0 HZ1 LYS A 154 13.816 15.458 -4.534 1.00 10.53 H new ATOM 0 HZ2 LYS A 154 12.499 14.977 -3.575 1.00 10.53 H new ATOM 0 HZ3 LYS A 154 13.383 13.819 -4.446 1.00 10.53 H new ATOM 136 N PRO A 155 6.673 11.580 -8.390 1.00 52.02 N ATOM 137 CA PRO A 155 5.654 10.511 -8.493 1.00 23.42 C ATOM 138 C PRO A 155 5.200 9.976 -7.122 1.00 51.21 C ATOM 139 O PRO A 155 6.013 9.799 -6.210 1.00 52.01 O ATOM 140 CB PRO A 155 6.363 9.408 -9.308 1.00 54.54 C ATOM 141 CG PRO A 155 7.816 9.753 -9.256 1.00 50.02 C ATOM 142 CD PRO A 155 7.878 11.251 -9.171 1.00 73.14 C ATOM 0 HA PRO A 155 4.738 10.876 -8.957 1.00 23.42 H new ATOM 0 HB2 PRO A 155 6.177 8.422 -8.881 1.00 54.54 H new ATOM 0 HB3 PRO A 155 6.001 9.384 -10.336 1.00 54.54 H new ATOM 0 HG2 PRO A 155 8.297 9.292 -8.393 1.00 50.02 H new ATOM 0 HG3 PRO A 155 8.336 9.390 -10.142 1.00 50.02 H new ATOM 0 HD2 PRO A 155 8.787 11.591 -8.676 1.00 73.14 H new ATOM 0 HD3 PRO A 155 7.860 11.714 -10.158 1.00 73.14 H new ATOM 150 N ILE A 156 3.897 9.713 -6.982 1.00 64.21 N ATOM 151 CA ILE A 156 3.325 9.287 -5.697 1.00 5.54 C ATOM 152 C ILE A 156 2.305 8.142 -5.856 1.00 33.12 C ATOM 153 O ILE A 156 1.878 7.814 -6.963 1.00 75.45 O ATOM 154 CB ILE A 156 2.666 10.490 -4.953 1.00 35.21 C ATOM 155 CG1 ILE A 156 1.637 11.226 -5.849 1.00 70.15 C ATOM 156 CG2 ILE A 156 3.733 11.465 -4.447 1.00 74.10 C ATOM 157 CD1 ILE A 156 0.255 10.599 -5.868 1.00 22.11 C ATOM 0 H ILE A 156 3.218 9.787 -7.740 1.00 64.21 H new ATOM 0 HA ILE A 156 4.154 8.907 -5.100 1.00 5.54 H new ATOM 0 HB ILE A 156 2.127 10.087 -4.096 1.00 35.21 H new ATOM 0 HG12 ILE A 156 1.549 12.257 -5.507 1.00 70.15 H new ATOM 0 HG13 ILE A 156 2.021 11.259 -6.869 1.00 70.15 H new ATOM 0 HG21 ILE A 156 3.251 12.296 -3.932 1.00 74.10 H new ATOM 0 HG22 ILE A 156 4.401 10.948 -3.758 1.00 74.10 H new ATOM 0 HG23 ILE A 156 4.308 11.846 -5.291 1.00 74.10 H new ATOM 0 HD11 ILE A 156 -0.399 11.179 -6.520 1.00 22.11 H new ATOM 0 HD12 ILE A 156 0.324 9.577 -6.240 1.00 22.11 H new ATOM 0 HD13 ILE A 156 -0.155 10.590 -4.858 1.00 22.11 H new ATOM 169 N VAL A 157 1.937 7.534 -4.732 1.00 24.30 N ATOM 170 CA VAL A 157 0.936 6.459 -4.696 1.00 15.31 C ATOM 171 C VAL A 157 -0.125 6.752 -3.622 1.00 63.03 C ATOM 172 O VAL A 157 0.205 7.216 -2.527 1.00 14.13 O ATOM 173 CB VAL A 157 1.590 5.083 -4.396 1.00 14.21 C ATOM 174 CG1 VAL A 157 0.553 3.960 -4.440 1.00 32.13 C ATOM 175 CG2 VAL A 157 2.737 4.801 -5.365 1.00 60.43 C ATOM 0 H VAL A 157 2.321 7.769 -3.817 1.00 24.30 H new ATOM 0 HA VAL A 157 0.468 6.418 -5.680 1.00 15.31 H new ATOM 0 HB VAL A 157 2.001 5.122 -3.387 1.00 14.21 H new ATOM 0 HG11 VAL A 157 1.039 3.008 -4.226 1.00 32.13 H new ATOM 0 HG12 VAL A 157 -0.220 4.149 -3.695 1.00 32.13 H new ATOM 0 HG13 VAL A 157 0.100 3.922 -5.431 1.00 32.13 H new ATOM 0 HG21 VAL A 157 3.178 3.832 -5.134 1.00 60.43 H new ATOM 0 HG22 VAL A 157 2.357 4.792 -6.386 1.00 60.43 H new ATOM 0 HG23 VAL A 157 3.495 5.578 -5.267 1.00 60.43 H new ATOM 185 N ARG A 158 -1.393 6.484 -3.935 1.00 65.11 N ATOM 186 CA ARG A 158 -2.496 6.754 -3.001 1.00 1.04 C ATOM 187 C ARG A 158 -3.084 5.455 -2.431 1.00 12.34 C ATOM 188 O ARG A 158 -3.620 4.623 -3.160 1.00 31.51 O ATOM 189 CB ARG A 158 -3.585 7.584 -3.693 1.00 12.22 C ATOM 190 CG ARG A 158 -3.103 8.970 -4.108 1.00 43.31 C ATOM 191 CD ARG A 158 -4.213 9.810 -4.725 1.00 23.53 C ATOM 192 NE ARG A 158 -3.779 11.187 -4.959 1.00 53.14 N ATOM 193 CZ ARG A 158 -4.470 12.074 -5.614 1.00 64.41 C ATOM 194 NH1 ARG A 158 -5.612 11.763 -6.138 1.00 41.11 N ATOM 195 NH2 ARG A 158 -4.012 13.274 -5.741 1.00 60.45 N ATOM 0 H ARG A 158 -1.685 6.081 -4.825 1.00 65.11 H new ATOM 0 HA ARG A 158 -2.095 7.326 -2.164 1.00 1.04 H new ATOM 0 HB2 ARG A 158 -3.937 7.049 -4.575 1.00 12.22 H new ATOM 0 HB3 ARG A 158 -4.437 7.688 -3.021 1.00 12.22 H new ATOM 0 HG2 ARG A 158 -2.701 9.488 -3.237 1.00 43.31 H new ATOM 0 HG3 ARG A 158 -2.287 8.869 -4.824 1.00 43.31 H new ATOM 0 HD2 ARG A 158 -4.528 9.362 -5.667 1.00 23.53 H new ATOM 0 HD3 ARG A 158 -5.081 9.808 -4.065 1.00 23.53 H new ATOM 0 HE ARG A 158 -2.874 11.471 -4.584 1.00 53.14 H new ATOM 0 HH11 ARG A 158 -5.977 10.816 -6.039 1.00 41.11 H new ATOM 0 HH12 ARG A 158 -6.146 12.465 -6.650 1.00 41.11 H new ATOM 0 HH21 ARG A 158 -3.113 13.523 -5.329 1.00 60.45 H new ATOM 0 HH22 ARG A 158 -4.549 13.973 -6.253 1.00 60.45 H new ATOM 209 N VAL A 159 -2.987 5.296 -1.116 1.00 43.04 N ATOM 210 CA VAL A 159 -3.402 4.058 -0.448 1.00 14.50 C ATOM 211 C VAL A 159 -4.675 4.249 0.398 1.00 1.23 C ATOM 212 O VAL A 159 -4.781 5.198 1.183 1.00 10.31 O ATOM 213 CB VAL A 159 -2.262 3.523 0.456 1.00 43.24 C ATOM 214 CG1 VAL A 159 -2.684 2.241 1.175 1.00 53.15 C ATOM 215 CG2 VAL A 159 -0.991 3.294 -0.365 1.00 71.01 C ATOM 0 H VAL A 159 -2.623 6.010 -0.485 1.00 43.04 H new ATOM 0 HA VAL A 159 -3.625 3.335 -1.233 1.00 14.50 H new ATOM 0 HB VAL A 159 -2.050 4.275 1.216 1.00 43.24 H new ATOM 0 HG11 VAL A 159 -1.865 1.889 1.802 1.00 53.15 H new ATOM 0 HG12 VAL A 159 -3.556 2.443 1.797 1.00 53.15 H new ATOM 0 HG13 VAL A 159 -2.933 1.476 0.439 1.00 53.15 H new ATOM 0 HG21 VAL A 159 -0.201 2.918 0.285 1.00 71.01 H new ATOM 0 HG22 VAL A 159 -1.192 2.565 -1.151 1.00 71.01 H new ATOM 0 HG23 VAL A 159 -0.674 4.235 -0.815 1.00 71.01 H new ATOM 225 N PHE A 160 -5.639 3.342 0.227 1.00 63.14 N ATOM 226 CA PHE A 160 -6.862 3.344 1.033 1.00 3.14 C ATOM 227 C PHE A 160 -6.683 2.499 2.305 1.00 44.52 C ATOM 228 O PHE A 160 -6.853 1.275 2.288 1.00 3.43 O ATOM 229 CB PHE A 160 -8.055 2.818 0.222 1.00 23.41 C ATOM 230 CG PHE A 160 -8.373 3.635 -1.008 1.00 52.45 C ATOM 231 CD1 PHE A 160 -8.629 4.996 -0.907 1.00 1.44 C ATOM 232 CD2 PHE A 160 -8.429 3.041 -2.261 1.00 12.11 C ATOM 233 CE1 PHE A 160 -8.931 5.743 -2.029 1.00 31.45 C ATOM 234 CE2 PHE A 160 -8.731 3.786 -3.385 1.00 15.54 C ATOM 235 CZ PHE A 160 -8.981 5.137 -3.269 1.00 3.12 C ATOM 0 H PHE A 160 -5.596 2.594 -0.465 1.00 63.14 H new ATOM 0 HA PHE A 160 -7.063 4.375 1.323 1.00 3.14 H new ATOM 0 HB2 PHE A 160 -7.851 1.791 -0.080 1.00 23.41 H new ATOM 0 HB3 PHE A 160 -8.935 2.792 0.865 1.00 23.41 H new ATOM 0 HD1 PHE A 160 -8.592 5.476 0.060 1.00 1.44 H new ATOM 0 HD2 PHE A 160 -8.234 1.983 -2.359 1.00 12.11 H new ATOM 0 HE1 PHE A 160 -9.128 6.801 -1.937 1.00 31.45 H new ATOM 0 HE2 PHE A 160 -8.771 3.310 -4.354 1.00 15.54 H new ATOM 0 HZ PHE A 160 -9.216 5.721 -4.147 1.00 3.12 H new ATOM 245 N LEU A 161 -6.319 3.161 3.393 1.00 22.42 N ATOM 246 CA LEU A 161 -6.142 2.503 4.689 1.00 14.12 C ATOM 247 C LEU A 161 -7.490 2.026 5.260 1.00 73.14 C ATOM 248 O LEU A 161 -8.543 2.582 4.927 1.00 54.24 O ATOM 249 CB LEU A 161 -5.468 3.470 5.674 1.00 3.50 C ATOM 250 CG LEU A 161 -4.065 3.950 5.263 1.00 45.52 C ATOM 251 CD1 LEU A 161 -3.577 5.059 6.191 1.00 43.41 C ATOM 252 CD2 LEU A 161 -3.079 2.780 5.248 1.00 44.11 C ATOM 0 H LEU A 161 -6.138 4.165 3.408 1.00 22.42 H new ATOM 0 HA LEU A 161 -5.508 1.628 4.545 1.00 14.12 H new ATOM 0 HB2 LEU A 161 -6.110 4.341 5.800 1.00 3.50 H new ATOM 0 HB3 LEU A 161 -5.398 2.983 6.646 1.00 3.50 H new ATOM 0 HG LEU A 161 -4.126 4.358 4.254 1.00 45.52 H new ATOM 0 HD11 LEU A 161 -2.583 5.382 5.881 1.00 43.41 H new ATOM 0 HD12 LEU A 161 -4.265 5.903 6.142 1.00 43.41 H new ATOM 0 HD13 LEU A 161 -3.534 4.685 7.214 1.00 43.41 H new ATOM 0 HD21 LEU A 161 -2.092 3.139 4.955 1.00 44.11 H new ATOM 0 HD22 LEU A 161 -3.024 2.338 6.243 1.00 44.11 H new ATOM 0 HD23 LEU A 161 -3.418 2.028 4.535 1.00 44.11 H new ATOM 264 N PRO A 162 -7.480 0.993 6.132 1.00 13.35 N ATOM 265 CA PRO A 162 -8.708 0.476 6.759 1.00 43.55 C ATOM 266 C PRO A 162 -9.504 1.577 7.485 1.00 40.32 C ATOM 267 O PRO A 162 -8.936 2.584 7.916 1.00 33.22 O ATOM 268 CB PRO A 162 -8.199 -0.588 7.751 1.00 64.01 C ATOM 269 CG PRO A 162 -6.734 -0.329 7.889 1.00 45.33 C ATOM 270 CD PRO A 162 -6.289 0.252 6.576 1.00 1.34 C ATOM 0 HA PRO A 162 -9.402 0.074 6.021 1.00 43.55 H new ATOM 0 HB2 PRO A 162 -8.706 -0.504 8.712 1.00 64.01 H new ATOM 0 HB3 PRO A 162 -8.387 -1.595 7.379 1.00 64.01 H new ATOM 0 HG2 PRO A 162 -6.536 0.362 8.708 1.00 45.33 H new ATOM 0 HG3 PRO A 162 -6.194 -1.250 8.111 1.00 45.33 H new ATOM 0 HD2 PRO A 162 -5.425 0.906 6.694 1.00 1.34 H new ATOM 0 HD3 PRO A 162 -6.006 -0.524 5.865 1.00 1.34 H new ATOM 278 N ASN A 163 -10.821 1.371 7.609 1.00 35.12 N ATOM 279 CA ASN A 163 -11.743 2.384 8.155 1.00 33.20 C ATOM 280 C ASN A 163 -11.942 3.538 7.154 1.00 42.41 C ATOM 281 O ASN A 163 -12.498 4.585 7.499 1.00 63.33 O ATOM 282 CB ASN A 163 -11.252 2.922 9.510 1.00 53.32 C ATOM 283 CG ASN A 163 -11.028 1.819 10.530 1.00 15.40 C ATOM 284 OD1 ASN A 163 -10.093 2.034 11.434 1.00 30.33 O flip ATOM 285 ND2 ASN A 163 -11.682 0.781 10.503 1.00 1.55 N flip ATOM 0 H ASN A 163 -11.280 0.502 7.336 1.00 35.12 H new ATOM 0 HA ASN A 163 -12.705 1.898 8.319 1.00 33.20 H new ATOM 0 HB2 ASN A 163 -10.322 3.471 9.363 1.00 53.32 H new ATOM 0 HB3 ASN A 163 -11.982 3.631 9.901 1.00 53.32 H new ATOM 0 HD21 ASN A 163 -12.398 0.648 9.789 1.00 1.55 H new ATOM 0 HD22 ASN A 163 -11.509 0.051 11.195 1.00 1.55 H new ATOM 292 N LYS A 164 -11.496 3.320 5.911 1.00 45.50 N ATOM 293 CA LYS A 164 -11.644 4.293 4.822 1.00 33.54 C ATOM 294 C LYS A 164 -10.856 5.589 5.081 1.00 20.14 C ATOM 295 O LYS A 164 -11.424 6.681 5.151 1.00 4.10 O ATOM 296 CB LYS A 164 -13.134 4.582 4.556 1.00 62.14 C ATOM 297 CG LYS A 164 -13.880 3.375 3.989 1.00 43.23 C ATOM 298 CD LYS A 164 -15.380 3.617 3.868 1.00 44.54 C ATOM 299 CE LYS A 164 -16.049 3.755 5.230 1.00 52.41 C ATOM 300 NZ LYS A 164 -17.529 3.694 5.120 1.00 73.04 N ATOM 0 H LYS A 164 -11.021 2.462 5.631 1.00 45.50 H new ATOM 0 HA LYS A 164 -11.214 3.847 3.925 1.00 33.54 H new ATOM 0 HB2 LYS A 164 -13.610 4.894 5.486 1.00 62.14 H new ATOM 0 HB3 LYS A 164 -13.219 5.416 3.859 1.00 62.14 H new ATOM 0 HG2 LYS A 164 -13.475 3.131 3.007 1.00 43.23 H new ATOM 0 HG3 LYS A 164 -13.706 2.511 4.630 1.00 43.23 H new ATOM 0 HD2 LYS A 164 -15.555 4.521 3.285 1.00 44.54 H new ATOM 0 HD3 LYS A 164 -15.837 2.792 3.322 1.00 44.54 H new ATOM 0 HE2 LYS A 164 -15.699 2.961 5.890 1.00 52.41 H new ATOM 0 HE3 LYS A 164 -15.756 4.701 5.686 1.00 52.41 H new ATOM 0 HZ1 LYS A 164 -17.952 3.791 6.065 1.00 73.04 H new ATOM 0 HZ2 LYS A 164 -17.864 4.467 4.510 1.00 73.04 H new ATOM 0 HZ3 LYS A 164 -17.809 2.781 4.708 1.00 73.04 H new ATOM 314 N GLN A 165 -9.539 5.451 5.238 1.00 74.05 N ATOM 315 CA GLN A 165 -8.640 6.606 5.362 1.00 22.14 C ATOM 316 C GLN A 165 -7.707 6.693 4.147 1.00 63.42 C ATOM 317 O GLN A 165 -7.153 5.689 3.707 1.00 52.32 O ATOM 318 CB GLN A 165 -7.811 6.512 6.651 1.00 4.14 C ATOM 319 CG GLN A 165 -8.651 6.501 7.924 1.00 70.23 C ATOM 320 CD GLN A 165 -9.508 7.750 8.088 1.00 73.25 C ATOM 321 OE1 GLN A 165 -9.157 8.832 7.622 1.00 3.43 O ATOM 322 NE2 GLN A 165 -10.634 7.614 8.762 1.00 72.34 N ATOM 0 H GLN A 165 -9.067 4.548 5.283 1.00 74.05 H new ATOM 0 HA GLN A 165 -9.251 7.508 5.404 1.00 22.14 H new ATOM 0 HB2 GLN A 165 -7.207 5.605 6.618 1.00 4.14 H new ATOM 0 HB3 GLN A 165 -7.120 7.354 6.690 1.00 4.14 H new ATOM 0 HG2 GLN A 165 -9.297 5.623 7.918 1.00 70.23 H new ATOM 0 HG3 GLN A 165 -7.991 6.405 8.786 1.00 70.23 H new ATOM 0 HE21 GLN A 165 -10.897 6.702 9.136 1.00 72.34 H new ATOM 0 HE22 GLN A 165 -11.241 8.420 8.909 1.00 72.34 H new ATOM 331 N ARG A 166 -7.529 7.895 3.608 1.00 71.44 N ATOM 332 CA ARG A 166 -6.698 8.086 2.410 1.00 15.31 C ATOM 333 C ARG A 166 -5.349 8.736 2.747 1.00 32.30 C ATOM 334 O ARG A 166 -5.292 9.779 3.404 1.00 1.00 O ATOM 335 CB ARG A 166 -7.429 8.949 1.362 1.00 22.01 C ATOM 336 CG ARG A 166 -8.698 8.322 0.782 1.00 54.34 C ATOM 337 CD ARG A 166 -9.870 8.345 1.762 1.00 3.55 C ATOM 338 NE ARG A 166 -11.080 7.775 1.177 1.00 2.44 N ATOM 339 CZ ARG A 166 -12.294 8.105 1.527 1.00 75.52 C ATOM 340 NH1 ARG A 166 -12.503 8.999 2.437 1.00 60.35 N ATOM 341 NH2 ARG A 166 -13.301 7.541 0.952 1.00 65.44 N ATOM 0 H ARG A 166 -7.944 8.752 3.975 1.00 71.44 H new ATOM 0 HA ARG A 166 -6.512 7.094 1.998 1.00 15.31 H new ATOM 0 HB2 ARG A 166 -7.689 9.905 1.817 1.00 22.01 H new ATOM 0 HB3 ARG A 166 -6.740 9.162 0.544 1.00 22.01 H new ATOM 0 HG2 ARG A 166 -8.979 8.855 -0.126 1.00 54.34 H new ATOM 0 HG3 ARG A 166 -8.490 7.291 0.495 1.00 54.34 H new ATOM 0 HD2 ARG A 166 -9.603 7.787 2.660 1.00 3.55 H new ATOM 0 HD3 ARG A 166 -10.065 9.372 2.071 1.00 3.55 H new ATOM 0 HE ARG A 166 -10.970 7.072 0.446 1.00 2.44 H new ATOM 0 HH11 ARG A 166 -11.714 9.457 2.892 1.00 60.35 H new ATOM 0 HH12 ARG A 166 -13.457 9.246 2.700 1.00 60.35 H new ATOM 0 HH21 ARG A 166 -13.148 6.840 0.227 1.00 65.44 H new ATOM 0 HH22 ARG A 166 -14.251 7.796 1.222 1.00 65.44 H new ATOM 355 N THR A 167 -4.263 8.122 2.283 1.00 3.24 N ATOM 356 CA THR A 167 -2.915 8.681 2.465 1.00 35.40 C ATOM 357 C THR A 167 -2.087 8.559 1.180 1.00 21.34 C ATOM 358 O THR A 167 -2.355 7.699 0.337 1.00 11.04 O ATOM 359 CB THR A 167 -2.150 7.993 3.621 1.00 61.12 C ATOM 360 OG1 THR A 167 -0.899 8.664 3.848 1.00 14.34 O ATOM 361 CG2 THR A 167 -1.893 6.517 3.319 1.00 75.34 C ATOM 0 H THR A 167 -4.285 7.237 1.777 1.00 3.24 H new ATOM 0 HA THR A 167 -3.052 9.733 2.715 1.00 35.40 H new ATOM 0 HB THR A 167 -2.769 8.055 4.516 1.00 61.12 H new ATOM 0 HG1 THR A 167 -0.421 8.225 4.582 1.00 14.34 H new ATOM 0 HG21 THR A 167 -1.354 6.064 4.151 1.00 75.34 H new ATOM 0 HG22 THR A 167 -2.844 6.003 3.180 1.00 75.34 H new ATOM 0 HG23 THR A 167 -1.297 6.430 2.410 1.00 75.34 H new ATOM 369 N VAL A 168 -1.082 9.418 1.033 1.00 71.22 N ATOM 370 CA VAL A 168 -0.239 9.426 -0.167 1.00 55.14 C ATOM 371 C VAL A 168 1.255 9.319 0.190 1.00 71.55 C ATOM 372 O VAL A 168 1.748 10.025 1.073 1.00 44.12 O ATOM 373 CB VAL A 168 -0.471 10.712 -1.004 1.00 71.41 C ATOM 374 CG1 VAL A 168 0.305 10.660 -2.314 1.00 12.55 C ATOM 375 CG2 VAL A 168 -1.962 10.932 -1.265 1.00 22.50 C ATOM 0 H VAL A 168 -0.828 10.120 1.729 1.00 71.22 H new ATOM 0 HA VAL A 168 -0.523 8.555 -0.757 1.00 55.14 H new ATOM 0 HB VAL A 168 -0.099 11.558 -0.426 1.00 71.41 H new ATOM 0 HG11 VAL A 168 0.124 11.573 -2.881 1.00 12.55 H new ATOM 0 HG12 VAL A 168 1.370 10.569 -2.102 1.00 12.55 H new ATOM 0 HG13 VAL A 168 -0.024 9.800 -2.898 1.00 12.55 H new ATOM 0 HG21 VAL A 168 -2.098 11.839 -1.853 1.00 22.50 H new ATOM 0 HG22 VAL A 168 -2.365 10.080 -1.813 1.00 22.50 H new ATOM 0 HG23 VAL A 168 -2.487 11.033 -0.315 1.00 22.50 H new ATOM 385 N VAL A 169 1.965 8.432 -0.503 1.00 44.14 N ATOM 386 CA VAL A 169 3.409 8.240 -0.294 1.00 41.10 C ATOM 387 C VAL A 169 4.184 8.391 -1.618 1.00 72.22 C ATOM 388 O VAL A 169 3.674 8.045 -2.680 1.00 25.00 O ATOM 389 CB VAL A 169 3.715 6.847 0.324 1.00 31.02 C ATOM 390 CG1 VAL A 169 3.131 6.736 1.733 1.00 4.04 C ATOM 391 CG2 VAL A 169 3.187 5.722 -0.570 1.00 64.30 C ATOM 0 H VAL A 169 1.565 7.828 -1.221 1.00 44.14 H new ATOM 0 HA VAL A 169 3.735 9.012 0.403 1.00 41.10 H new ATOM 0 HB VAL A 169 4.798 6.743 0.395 1.00 31.02 H new ATOM 0 HG11 VAL A 169 3.358 5.753 2.145 1.00 4.04 H new ATOM 0 HG12 VAL A 169 3.568 7.505 2.370 1.00 4.04 H new ATOM 0 HG13 VAL A 169 2.050 6.871 1.691 1.00 4.04 H new ATOM 0 HG21 VAL A 169 3.414 4.758 -0.114 1.00 64.30 H new ATOM 0 HG22 VAL A 169 2.108 5.824 -0.684 1.00 64.30 H new ATOM 0 HG23 VAL A 169 3.662 5.782 -1.549 1.00 64.30 H new ATOM 401 N PRO A 170 5.427 8.911 -1.576 1.00 35.13 N ATOM 402 CA PRO A 170 6.239 9.117 -2.793 1.00 31.22 C ATOM 403 C PRO A 170 6.730 7.801 -3.427 1.00 1.33 C ATOM 404 O PRO A 170 7.417 7.001 -2.784 1.00 40.21 O ATOM 405 CB PRO A 170 7.420 9.954 -2.287 1.00 11.23 C ATOM 406 CG PRO A 170 7.541 9.605 -0.841 1.00 42.52 C ATOM 407 CD PRO A 170 6.140 9.346 -0.356 1.00 22.55 C ATOM 0 HA PRO A 170 5.663 9.595 -3.586 1.00 31.22 H new ATOM 0 HB2 PRO A 170 8.335 9.716 -2.830 1.00 11.23 H new ATOM 0 HB3 PRO A 170 7.237 11.020 -2.423 1.00 11.23 H new ATOM 0 HG2 PRO A 170 8.170 8.725 -0.704 1.00 42.52 H new ATOM 0 HG3 PRO A 170 8.003 10.418 -0.281 1.00 42.52 H new ATOM 0 HD2 PRO A 170 6.118 8.578 0.417 1.00 22.55 H new ATOM 0 HD3 PRO A 170 5.692 10.242 0.073 1.00 22.55 H new ATOM 415 N ALA A 171 6.381 7.586 -4.694 1.00 23.14 N ATOM 416 CA ALA A 171 6.806 6.391 -5.431 1.00 52.11 C ATOM 417 C ALA A 171 8.292 6.476 -5.815 1.00 63.23 C ATOM 418 O ALA A 171 8.692 7.325 -6.613 1.00 23.11 O ATOM 419 CB ALA A 171 5.941 6.201 -6.674 1.00 2.11 C ATOM 0 H ALA A 171 5.802 8.226 -5.237 1.00 23.14 H new ATOM 0 HA ALA A 171 6.678 5.527 -4.779 1.00 52.11 H new ATOM 0 HB1 ALA A 171 6.267 5.311 -7.212 1.00 2.11 H new ATOM 0 HB2 ALA A 171 4.899 6.084 -6.378 1.00 2.11 H new ATOM 0 HB3 ALA A 171 6.039 7.072 -7.322 1.00 2.11 H new ATOM 425 N ARG A 172 9.100 5.582 -5.252 1.00 51.22 N ATOM 426 CA ARG A 172 10.555 5.609 -5.448 1.00 2.21 C ATOM 427 C ARG A 172 11.112 4.220 -5.799 1.00 3.44 C ATOM 428 O ARG A 172 10.655 3.201 -5.278 1.00 52.12 O ATOM 429 CB ARG A 172 11.230 6.166 -4.183 1.00 70.20 C ATOM 430 CG ARG A 172 10.674 5.595 -2.881 1.00 72.54 C ATOM 431 CD ARG A 172 11.124 6.405 -1.668 1.00 22.53 C ATOM 432 NE ARG A 172 10.732 5.779 -0.404 1.00 55.04 N ATOM 433 CZ ARG A 172 9.503 5.679 0.031 1.00 61.30 C ATOM 434 NH1 ARG A 172 8.500 6.093 -0.675 1.00 13.15 N ATOM 435 NH2 ARG A 172 9.276 5.147 1.185 1.00 65.22 N ATOM 0 H ARG A 172 8.774 4.824 -4.652 1.00 51.22 H new ATOM 0 HA ARG A 172 10.776 6.260 -6.294 1.00 2.21 H new ATOM 0 HB2 ARG A 172 12.299 5.958 -4.232 1.00 70.20 H new ATOM 0 HB3 ARG A 172 11.117 7.250 -4.170 1.00 70.20 H new ATOM 0 HG2 ARG A 172 9.585 5.582 -2.926 1.00 72.54 H new ATOM 0 HG3 ARG A 172 11.001 4.561 -2.769 1.00 72.54 H new ATOM 0 HD2 ARG A 172 12.208 6.520 -1.693 1.00 22.53 H new ATOM 0 HD3 ARG A 172 10.696 7.406 -1.723 1.00 22.53 H new ATOM 0 HE ARG A 172 11.473 5.392 0.181 1.00 55.04 H new ATOM 0 HH11 ARG A 172 8.659 6.508 -1.593 1.00 13.15 H new ATOM 0 HH12 ARG A 172 7.550 6.004 -0.313 1.00 13.15 H new ATOM 0 HH21 ARG A 172 10.053 4.808 1.752 1.00 65.22 H new ATOM 0 HH22 ARG A 172 8.320 5.066 1.530 1.00 65.22 H new ATOM 449 N CYS A 173 12.099 4.190 -6.692 1.00 22.45 N ATOM 450 CA CYS A 173 12.708 2.929 -7.141 1.00 52.33 C ATOM 451 C CYS A 173 13.688 2.371 -6.100 1.00 72.01 C ATOM 452 O CYS A 173 14.451 3.120 -5.488 1.00 51.34 O ATOM 453 CB CYS A 173 13.438 3.131 -8.471 1.00 15.20 C ATOM 454 SG CYS A 173 14.256 1.648 -9.103 1.00 40.14 S ATOM 0 H CYS A 173 12.498 5.024 -7.123 1.00 22.45 H new ATOM 0 HA CYS A 173 11.901 2.209 -7.273 1.00 52.33 H new ATOM 0 HB2 CYS A 173 12.723 3.482 -9.215 1.00 15.20 H new ATOM 0 HB3 CYS A 173 14.182 3.918 -8.348 1.00 15.20 H new ATOM 0 HG CYS A 173 14.841 1.923 -10.231 1.00 40.14 H new ATOM 460 N GLY A 174 13.673 1.053 -5.921 1.00 63.14 N ATOM 461 CA GLY A 174 14.541 0.412 -4.935 1.00 35.30 C ATOM 462 C GLY A 174 13.978 0.458 -3.516 1.00 23.21 C ATOM 463 O GLY A 174 14.725 0.383 -2.541 1.00 41.12 O ATOM 0 H GLY A 174 13.075 0.411 -6.441 1.00 63.14 H new ATOM 0 HA2 GLY A 174 14.700 -0.627 -5.222 1.00 35.30 H new ATOM 0 HA3 GLY A 174 15.516 0.899 -4.948 1.00 35.30 H new ATOM 467 N VAL A 175 12.659 0.592 -3.405 1.00 51.43 N ATOM 468 CA VAL A 175 11.979 0.644 -2.106 1.00 3.31 C ATOM 469 C VAL A 175 10.736 -0.258 -2.106 1.00 75.21 C ATOM 470 O VAL A 175 9.957 -0.255 -3.062 1.00 73.31 O ATOM 471 CB VAL A 175 11.552 2.095 -1.754 1.00 41.22 C ATOM 472 CG1 VAL A 175 10.924 2.164 -0.363 1.00 61.22 C ATOM 473 CG2 VAL A 175 12.735 3.059 -1.866 1.00 20.43 C ATOM 0 H VAL A 175 12.031 0.668 -4.205 1.00 51.43 H new ATOM 0 HA VAL A 175 12.686 0.289 -1.356 1.00 3.31 H new ATOM 0 HB VAL A 175 10.797 2.402 -2.478 1.00 41.22 H new ATOM 0 HG11 VAL A 175 10.635 3.192 -0.145 1.00 61.22 H new ATOM 0 HG12 VAL A 175 10.042 1.525 -0.330 1.00 61.22 H new ATOM 0 HG13 VAL A 175 11.646 1.825 0.380 1.00 61.22 H new ATOM 0 HG21 VAL A 175 12.408 4.068 -1.614 1.00 20.43 H new ATOM 0 HG22 VAL A 175 13.522 2.751 -1.178 1.00 20.43 H new ATOM 0 HG23 VAL A 175 13.119 3.046 -2.886 1.00 20.43 H new ATOM 483 N THR A 176 10.553 -1.030 -1.039 1.00 45.43 N ATOM 484 CA THR A 176 9.400 -1.938 -0.932 1.00 54.41 C ATOM 485 C THR A 176 8.138 -1.200 -0.464 1.00 12.31 C ATOM 486 O THR A 176 8.213 -0.116 0.121 1.00 71.13 O ATOM 487 CB THR A 176 9.670 -3.098 0.056 1.00 74.12 C ATOM 488 OG1 THR A 176 9.697 -2.606 1.405 1.00 74.15 O ATOM 489 CG2 THR A 176 10.987 -3.800 -0.261 1.00 71.50 C ATOM 0 H THR A 176 11.181 -1.050 -0.236 1.00 45.43 H new ATOM 0 HA THR A 176 9.244 -2.339 -1.934 1.00 54.41 H new ATOM 0 HB THR A 176 8.861 -3.821 -0.050 1.00 74.12 H new ATOM 0 HG1 THR A 176 10.626 -2.467 1.684 1.00 74.15 H new ATOM 0 HG21 THR A 176 11.148 -4.610 0.451 1.00 71.50 H new ATOM 0 HG22 THR A 176 10.948 -4.207 -1.271 1.00 71.50 H new ATOM 0 HG23 THR A 176 11.807 -3.085 -0.189 1.00 71.50 H new ATOM 497 N VAL A 177 6.975 -1.796 -0.727 1.00 4.14 N ATOM 498 CA VAL A 177 5.699 -1.265 -0.231 1.00 41.32 C ATOM 499 C VAL A 177 5.714 -1.168 1.305 1.00 24.53 C ATOM 500 O VAL A 177 5.205 -0.208 1.892 1.00 54.54 O ATOM 501 CB VAL A 177 4.508 -2.154 -0.685 1.00 52.21 C ATOM 502 CG1 VAL A 177 3.181 -1.617 -0.152 1.00 41.14 C ATOM 503 CG2 VAL A 177 4.472 -2.268 -2.210 1.00 55.04 C ATOM 0 H VAL A 177 6.887 -2.648 -1.281 1.00 4.14 H new ATOM 0 HA VAL A 177 5.570 -0.268 -0.652 1.00 41.32 H new ATOM 0 HB VAL A 177 4.656 -3.150 -0.268 1.00 52.21 H new ATOM 0 HG11 VAL A 177 2.367 -2.260 -0.487 1.00 41.14 H new ATOM 0 HG12 VAL A 177 3.206 -1.601 0.938 1.00 41.14 H new ATOM 0 HG13 VAL A 177 3.021 -0.606 -0.526 1.00 41.14 H new ATOM 0 HG21 VAL A 177 3.631 -2.894 -2.508 1.00 55.04 H new ATOM 0 HG22 VAL A 177 4.358 -1.276 -2.646 1.00 55.04 H new ATOM 0 HG23 VAL A 177 5.401 -2.715 -2.563 1.00 55.04 H new ATOM 513 N ARG A 178 6.339 -2.159 1.940 1.00 44.11 N ATOM 514 CA ARG A 178 6.441 -2.226 3.399 1.00 71.14 C ATOM 515 C ARG A 178 7.168 -1.001 3.969 1.00 62.35 C ATOM 516 O ARG A 178 6.626 -0.272 4.801 1.00 4.31 O ATOM 517 CB ARG A 178 7.192 -3.500 3.806 1.00 41.22 C ATOM 518 CG ARG A 178 7.137 -3.806 5.299 1.00 22.21 C ATOM 519 CD ARG A 178 8.245 -4.767 5.716 1.00 60.31 C ATOM 520 NE ARG A 178 9.567 -4.213 5.430 1.00 24.31 N ATOM 521 CZ ARG A 178 10.598 -4.916 5.052 1.00 0.03 C ATOM 522 NH1 ARG A 178 10.525 -6.202 4.943 1.00 32.52 N ATOM 523 NH2 ARG A 178 11.714 -4.326 4.787 1.00 44.23 N ATOM 0 H ARG A 178 6.789 -2.938 1.459 1.00 44.11 H new ATOM 0 HA ARG A 178 5.430 -2.241 3.806 1.00 71.14 H new ATOM 0 HB2 ARG A 178 6.776 -4.345 3.257 1.00 41.22 H new ATOM 0 HB3 ARG A 178 8.235 -3.406 3.504 1.00 41.22 H new ATOM 0 HG2 ARG A 178 7.227 -2.879 5.865 1.00 22.21 H new ATOM 0 HG3 ARG A 178 6.167 -4.238 5.547 1.00 22.21 H new ATOM 0 HD2 ARG A 178 8.161 -4.981 6.782 1.00 60.31 H new ATOM 0 HD3 ARG A 178 8.124 -5.714 5.190 1.00 60.31 H new ATOM 0 HE ARG A 178 9.692 -3.206 5.533 1.00 24.31 H new ATOM 0 HH11 ARG A 178 9.651 -6.683 5.154 1.00 32.52 H new ATOM 0 HH12 ARG A 178 11.342 -6.736 4.646 1.00 32.52 H new ATOM 0 HH21 ARG A 178 11.788 -3.312 4.873 1.00 44.23 H new ATOM 0 HH22 ARG A 178 12.522 -4.873 4.491 1.00 44.23 H new ATOM 537 N ASP A 179 8.395 -0.771 3.499 1.00 12.13 N ATOM 538 CA ASP A 179 9.237 0.312 4.023 1.00 52.22 C ATOM 539 C ASP A 179 8.637 1.703 3.752 1.00 22.22 C ATOM 540 O ASP A 179 9.030 2.692 4.374 1.00 71.12 O ATOM 541 CB ASP A 179 10.646 0.222 3.424 1.00 21.13 C ATOM 542 CG ASP A 179 11.325 -1.099 3.738 1.00 41.52 C ATOM 543 OD1 ASP A 179 11.303 -1.523 4.913 1.00 15.35 O ATOM 544 OD2 ASP A 179 11.900 -1.715 2.817 1.00 61.52 O ATOM 0 H ASP A 179 8.830 -1.319 2.757 1.00 12.13 H new ATOM 0 HA ASP A 179 9.289 0.186 5.104 1.00 52.22 H new ATOM 0 HB2 ASP A 179 10.587 0.349 2.343 1.00 21.13 H new ATOM 0 HB3 ASP A 179 11.254 1.041 3.809 1.00 21.13 H new ATOM 549 N SER A 180 7.687 1.783 2.824 1.00 50.44 N ATOM 550 CA SER A 180 7.042 3.061 2.497 1.00 21.42 C ATOM 551 C SER A 180 5.748 3.269 3.301 1.00 13.22 C ATOM 552 O SER A 180 5.459 4.379 3.747 1.00 22.43 O ATOM 553 CB SER A 180 6.736 3.146 0.997 1.00 65.23 C ATOM 554 OG SER A 180 6.343 4.462 0.629 1.00 13.44 O ATOM 0 H SER A 180 7.345 0.987 2.286 1.00 50.44 H new ATOM 0 HA SER A 180 7.742 3.851 2.768 1.00 21.42 H new ATOM 0 HB2 SER A 180 7.617 2.853 0.426 1.00 65.23 H new ATOM 0 HB3 SER A 180 5.943 2.442 0.744 1.00 65.23 H new ATOM 0 HG SER A 180 5.611 4.415 -0.020 1.00 13.44 H new ATOM 560 N LEU A 181 4.972 2.200 3.490 1.00 51.52 N ATOM 561 CA LEU A 181 3.684 2.293 4.199 1.00 4.54 C ATOM 562 C LEU A 181 3.815 2.026 5.708 1.00 54.44 C ATOM 563 O LEU A 181 2.843 2.176 6.449 1.00 24.11 O ATOM 564 CB LEU A 181 2.659 1.324 3.588 1.00 21.42 C ATOM 565 CG LEU A 181 2.277 1.604 2.125 1.00 3.11 C ATOM 566 CD1 LEU A 181 1.174 0.654 1.664 1.00 75.42 C ATOM 567 CD2 LEU A 181 1.853 3.061 1.942 1.00 62.21 C ATOM 0 H LEU A 181 5.207 1.262 3.166 1.00 51.52 H new ATOM 0 HA LEU A 181 3.338 3.319 4.078 1.00 4.54 H new ATOM 0 HB2 LEU A 181 3.057 0.311 3.654 1.00 21.42 H new ATOM 0 HB3 LEU A 181 1.753 1.351 4.194 1.00 21.42 H new ATOM 0 HG LEU A 181 3.156 1.430 1.505 1.00 3.11 H new ATOM 0 HD11 LEU A 181 0.919 0.869 0.626 1.00 75.42 H new ATOM 0 HD12 LEU A 181 1.523 -0.375 1.746 1.00 75.42 H new ATOM 0 HD13 LEU A 181 0.292 0.789 2.290 1.00 75.42 H new ATOM 0 HD21 LEU A 181 1.588 3.234 0.899 1.00 62.21 H new ATOM 0 HD22 LEU A 181 0.991 3.272 2.576 1.00 62.21 H new ATOM 0 HD23 LEU A 181 2.677 3.718 2.221 1.00 62.21 H new ATOM 579 N LYS A 182 5.007 1.642 6.162 1.00 71.54 N ATOM 580 CA LYS A 182 5.241 1.372 7.593 1.00 70.21 C ATOM 581 C LYS A 182 4.831 2.569 8.475 1.00 34.51 C ATOM 582 O LYS A 182 4.351 2.391 9.596 1.00 0.21 O ATOM 583 CB LYS A 182 6.714 1.006 7.839 1.00 35.34 C ATOM 584 CG LYS A 182 7.707 2.124 7.516 1.00 53.11 C ATOM 585 CD LYS A 182 9.156 1.652 7.626 1.00 10.32 C ATOM 586 CE LYS A 182 9.479 1.096 9.009 1.00 61.14 C ATOM 587 NZ LYS A 182 10.867 0.565 9.079 1.00 3.50 N ATOM 0 H LYS A 182 5.826 1.509 5.569 1.00 71.54 H new ATOM 0 HA LYS A 182 4.614 0.525 7.873 1.00 70.21 H new ATOM 0 HB2 LYS A 182 6.835 0.720 8.884 1.00 35.34 H new ATOM 0 HB3 LYS A 182 6.963 0.131 7.239 1.00 35.34 H new ATOM 0 HG2 LYS A 182 7.522 2.493 6.507 1.00 53.11 H new ATOM 0 HG3 LYS A 182 7.545 2.960 8.196 1.00 53.11 H new ATOM 0 HD2 LYS A 182 9.344 0.885 6.875 1.00 10.32 H new ATOM 0 HD3 LYS A 182 9.825 2.484 7.406 1.00 10.32 H new ATOM 0 HE2 LYS A 182 9.351 1.880 9.755 1.00 61.14 H new ATOM 0 HE3 LYS A 182 8.773 0.303 9.256 1.00 61.14 H new ATOM 0 HZ1 LYS A 182 11.050 0.196 10.034 1.00 3.50 H new ATOM 0 HZ2 LYS A 182 10.981 -0.200 8.384 1.00 3.50 H new ATOM 0 HZ3 LYS A 182 11.542 1.328 8.868 1.00 3.50 H new ATOM 601 N LYS A 183 5.022 3.786 7.960 1.00 0.31 N ATOM 602 CA LYS A 183 4.592 5.006 8.660 1.00 13.33 C ATOM 603 C LYS A 183 3.059 5.122 8.693 1.00 63.55 C ATOM 604 O LYS A 183 2.473 5.520 9.702 1.00 51.30 O ATOM 605 CB LYS A 183 5.200 6.244 7.985 1.00 11.44 C ATOM 606 CG LYS A 183 6.721 6.327 8.105 1.00 54.22 C ATOM 607 CD LYS A 183 7.295 7.510 7.325 1.00 20.21 C ATOM 608 CE LYS A 183 8.796 7.662 7.552 1.00 14.32 C ATOM 609 NZ LYS A 183 9.385 8.723 6.692 1.00 23.31 N ATOM 0 H LYS A 183 5.472 3.956 7.060 1.00 0.31 H new ATOM 0 HA LYS A 183 4.947 4.946 9.689 1.00 13.33 H new ATOM 0 HB2 LYS A 183 4.928 6.241 6.930 1.00 11.44 H new ATOM 0 HB3 LYS A 183 4.761 7.139 8.425 1.00 11.44 H new ATOM 0 HG2 LYS A 183 6.997 6.418 9.156 1.00 54.22 H new ATOM 0 HG3 LYS A 183 7.164 5.402 7.738 1.00 54.22 H new ATOM 0 HD2 LYS A 183 7.100 7.373 6.261 1.00 20.21 H new ATOM 0 HD3 LYS A 183 6.787 8.426 7.627 1.00 20.21 H new ATOM 0 HE2 LYS A 183 8.982 7.900 8.599 1.00 14.32 H new ATOM 0 HE3 LYS A 183 9.292 6.713 7.348 1.00 14.32 H new ATOM 0 HZ1 LYS A 183 10.406 8.793 6.878 1.00 23.31 H new ATOM 0 HZ2 LYS A 183 9.231 8.484 5.692 1.00 23.31 H new ATOM 0 HZ3 LYS A 183 8.931 9.634 6.905 1.00 23.31 H new ATOM 623 N ALA A 184 2.413 4.763 7.583 1.00 55.41 N ATOM 624 CA ALA A 184 0.948 4.791 7.491 1.00 5.12 C ATOM 625 C ALA A 184 0.311 3.807 8.479 1.00 70.14 C ATOM 626 O ALA A 184 -0.676 4.125 9.143 1.00 13.11 O ATOM 627 CB ALA A 184 0.504 4.482 6.066 1.00 24.13 C ATOM 0 H ALA A 184 2.880 4.449 6.732 1.00 55.41 H new ATOM 0 HA ALA A 184 0.610 5.793 7.755 1.00 5.12 H new ATOM 0 HB1 ALA A 184 -0.584 4.506 6.011 1.00 24.13 H new ATOM 0 HB2 ALA A 184 0.918 5.227 5.386 1.00 24.13 H new ATOM 0 HB3 ALA A 184 0.860 3.492 5.780 1.00 24.13 H new ATOM 633 N LEU A 185 0.889 2.613 8.571 1.00 12.13 N ATOM 634 CA LEU A 185 0.451 1.612 9.549 1.00 33.11 C ATOM 635 C LEU A 185 0.721 2.095 10.980 1.00 24.03 C ATOM 636 O LEU A 185 -0.121 1.956 11.866 1.00 35.45 O ATOM 637 CB LEU A 185 1.174 0.284 9.304 1.00 23.33 C ATOM 638 CG LEU A 185 0.997 -0.312 7.898 1.00 22.54 C ATOM 639 CD1 LEU A 185 1.868 -1.550 7.727 1.00 44.24 C ATOM 640 CD2 LEU A 185 -0.472 -0.643 7.627 1.00 21.14 C ATOM 0 H LEU A 185 1.664 2.311 7.980 1.00 12.13 H new ATOM 0 HA LEU A 185 -0.622 1.464 9.429 1.00 33.11 H new ATOM 0 HB2 LEU A 185 2.239 0.430 9.487 1.00 23.33 H new ATOM 0 HB3 LEU A 185 0.821 -0.443 10.036 1.00 23.33 H new ATOM 0 HG LEU A 185 1.315 0.435 7.170 1.00 22.54 H new ATOM 0 HD11 LEU A 185 1.729 -1.957 6.726 1.00 44.24 H new ATOM 0 HD12 LEU A 185 2.915 -1.280 7.867 1.00 44.24 H new ATOM 0 HD13 LEU A 185 1.584 -2.299 8.466 1.00 44.24 H new ATOM 0 HD21 LEU A 185 -0.572 -1.063 6.626 1.00 21.14 H new ATOM 0 HD22 LEU A 185 -0.823 -1.368 8.362 1.00 21.14 H new ATOM 0 HD23 LEU A 185 -1.069 0.266 7.700 1.00 21.14 H new ATOM 652 N MET A 186 1.901 2.675 11.190 1.00 61.42 N ATOM 653 CA MET A 186 2.287 3.214 12.500 1.00 61.01 C ATOM 654 C MET A 186 1.261 4.239 13.012 1.00 23.02 C ATOM 655 O MET A 186 0.769 4.136 14.137 1.00 73.44 O ATOM 656 CB MET A 186 3.681 3.852 12.411 1.00 5.43 C ATOM 657 CG MET A 186 4.200 4.415 13.728 1.00 5.30 C ATOM 658 SD MET A 186 5.874 5.076 13.584 1.00 35.40 S ATOM 659 CE MET A 186 5.631 6.381 12.376 1.00 35.12 C ATOM 0 H MET A 186 2.613 2.786 10.468 1.00 61.42 H new ATOM 0 HA MET A 186 2.313 2.389 13.212 1.00 61.01 H new ATOM 0 HB2 MET A 186 4.386 3.106 12.046 1.00 5.43 H new ATOM 0 HB3 MET A 186 3.654 4.653 11.673 1.00 5.43 H new ATOM 0 HG2 MET A 186 3.530 5.203 14.072 1.00 5.30 H new ATOM 0 HG3 MET A 186 4.186 3.631 14.485 1.00 5.30 H new ATOM 0 HE1 MET A 186 6.178 7.271 12.687 1.00 35.12 H new ATOM 0 HE2 MET A 186 5.999 6.051 11.405 1.00 35.12 H new ATOM 0 HE3 MET A 186 4.569 6.615 12.302 1.00 35.12 H new ATOM 669 N MET A 187 0.918 5.217 12.168 1.00 22.14 N ATOM 670 CA MET A 187 -0.068 6.246 12.536 1.00 53.21 C ATOM 671 C MET A 187 -1.506 5.682 12.562 1.00 43.24 C ATOM 672 O MET A 187 -2.462 6.404 12.854 1.00 22.33 O ATOM 673 CB MET A 187 0.018 7.448 11.578 1.00 13.12 C ATOM 674 CG MET A 187 -0.426 7.150 10.150 1.00 14.12 C ATOM 675 SD MET A 187 -0.281 8.586 9.063 1.00 74.43 S ATOM 676 CE MET A 187 -1.038 7.959 7.565 1.00 51.30 C ATOM 0 H MET A 187 1.304 5.320 11.230 1.00 22.14 H new ATOM 0 HA MET A 187 0.174 6.580 13.545 1.00 53.21 H new ATOM 0 HB2 MET A 187 -0.595 8.257 11.974 1.00 13.12 H new ATOM 0 HB3 MET A 187 1.047 7.808 11.558 1.00 13.12 H new ATOM 0 HG2 MET A 187 0.175 6.334 9.749 1.00 14.12 H new ATOM 0 HG3 MET A 187 -1.461 6.809 10.159 1.00 14.12 H new ATOM 0 HE1 MET A 187 -0.299 7.941 6.764 1.00 51.30 H new ATOM 0 HE2 MET A 187 -1.408 6.949 7.740 1.00 51.30 H new ATOM 0 HE3 MET A 187 -1.868 8.605 7.279 1.00 51.30 H new ATOM 686 N ARG A 188 -1.652 4.392 12.249 1.00 32.35 N ATOM 687 CA ARG A 188 -2.948 3.701 12.336 1.00 50.12 C ATOM 688 C ARG A 188 -2.917 2.555 13.365 1.00 74.23 C ATOM 689 O ARG A 188 -3.912 1.847 13.540 1.00 13.23 O ATOM 690 CB ARG A 188 -3.359 3.148 10.962 1.00 54.52 C ATOM 691 CG ARG A 188 -3.827 4.213 9.969 1.00 12.14 C ATOM 692 CD ARG A 188 -4.997 5.027 10.524 1.00 51.42 C ATOM 693 NE ARG A 188 -6.040 4.176 11.096 1.00 45.32 N ATOM 694 CZ ARG A 188 -7.110 4.622 11.695 1.00 30.22 C ATOM 695 NH1 ARG A 188 -7.373 5.891 11.732 1.00 30.23 N ATOM 696 NH2 ARG A 188 -7.923 3.785 12.251 1.00 62.31 N ATOM 0 H ARG A 188 -0.886 3.799 11.931 1.00 32.35 H new ATOM 0 HA ARG A 188 -3.682 4.436 12.666 1.00 50.12 H new ATOM 0 HB2 ARG A 188 -2.513 2.613 10.531 1.00 54.52 H new ATOM 0 HB3 ARG A 188 -4.159 2.421 11.101 1.00 54.52 H new ATOM 0 HG2 ARG A 188 -2.998 4.881 9.734 1.00 12.14 H new ATOM 0 HG3 ARG A 188 -4.126 3.735 9.036 1.00 12.14 H new ATOM 0 HD2 ARG A 188 -4.630 5.713 11.288 1.00 51.42 H new ATOM 0 HD3 ARG A 188 -5.424 5.636 9.727 1.00 51.42 H new ATOM 0 HE ARG A 188 -5.923 3.165 11.022 1.00 45.32 H new ATOM 0 HH11 ARG A 188 -6.739 6.556 11.289 1.00 30.23 H new ATOM 0 HH12 ARG A 188 -8.214 6.224 12.204 1.00 30.23 H new ATOM 0 HH21 ARG A 188 -7.726 2.785 12.219 1.00 62.31 H new ATOM 0 HH22 ARG A 188 -8.762 4.125 12.721 1.00 62.31 H new ATOM 710 N GLY A 189 -1.778 2.379 14.032 1.00 63.25 N ATOM 711 CA GLY A 189 -1.635 1.316 15.025 1.00 21.41 C ATOM 712 C GLY A 189 -1.767 -0.089 14.435 1.00 4.32 C ATOM 713 O GLY A 189 -2.485 -0.932 14.980 1.00 55.02 O ATOM 0 H GLY A 189 -0.946 2.955 13.904 1.00 63.25 H new ATOM 0 HA2 GLY A 189 -0.662 1.409 15.508 1.00 21.41 H new ATOM 0 HA3 GLY A 189 -2.390 1.449 15.800 1.00 21.41 H new ATOM 717 N LEU A 190 -1.076 -0.341 13.323 1.00 23.22 N ATOM 718 CA LEU A 190 -1.128 -1.648 12.645 1.00 52.11 C ATOM 719 C LEU A 190 0.276 -2.163 12.282 1.00 54.21 C ATOM 720 O LEU A 190 1.235 -1.394 12.213 1.00 73.22 O ATOM 721 CB LEU A 190 -1.972 -1.540 11.364 1.00 54.24 C ATOM 722 CG LEU A 190 -3.458 -1.223 11.576 1.00 72.11 C ATOM 723 CD1 LEU A 190 -4.138 -0.934 10.243 1.00 44.35 C ATOM 724 CD2 LEU A 190 -4.160 -2.370 12.298 1.00 51.24 C ATOM 0 H LEU A 190 -0.470 0.341 12.867 1.00 23.22 H new ATOM 0 HA LEU A 190 -1.582 -2.357 13.338 1.00 52.11 H new ATOM 0 HB2 LEU A 190 -1.540 -0.766 10.730 1.00 54.24 H new ATOM 0 HB3 LEU A 190 -1.893 -2.480 10.818 1.00 54.24 H new ATOM 0 HG LEU A 190 -3.530 -0.333 12.201 1.00 72.11 H new ATOM 0 HD11 LEU A 190 -5.191 -0.711 10.413 1.00 44.35 H new ATOM 0 HD12 LEU A 190 -3.658 -0.078 9.768 1.00 44.35 H new ATOM 0 HD13 LEU A 190 -4.051 -1.805 9.594 1.00 44.35 H new ATOM 0 HD21 LEU A 190 -5.212 -2.123 12.437 1.00 51.24 H new ATOM 0 HD22 LEU A 190 -4.077 -3.280 11.703 1.00 51.24 H new ATOM 0 HD23 LEU A 190 -3.693 -2.528 13.270 1.00 51.24 H new ATOM 736 N ILE A 191 0.381 -3.474 12.056 1.00 2.04 N ATOM 737 CA ILE A 191 1.624 -4.093 11.568 1.00 71.25 C ATOM 738 C ILE A 191 1.424 -4.683 10.159 1.00 35.22 C ATOM 739 O ILE A 191 0.335 -5.157 9.830 1.00 71.23 O ATOM 740 CB ILE A 191 2.131 -5.207 12.527 1.00 35.34 C ATOM 741 CG1 ILE A 191 1.035 -6.259 12.767 1.00 31.14 C ATOM 742 CG2 ILE A 191 2.607 -4.606 13.846 1.00 2.10 C ATOM 743 CD1 ILE A 191 1.455 -7.388 13.684 1.00 12.40 C ATOM 0 H ILE A 191 -0.382 -4.134 12.203 1.00 2.04 H new ATOM 0 HA ILE A 191 2.376 -3.305 11.529 1.00 71.25 H new ATOM 0 HB ILE A 191 2.979 -5.704 12.056 1.00 35.34 H new ATOM 0 HG12 ILE A 191 0.160 -5.767 13.191 1.00 31.14 H new ATOM 0 HG13 ILE A 191 0.731 -6.678 11.808 1.00 31.14 H new ATOM 0 HG21 ILE A 191 2.958 -5.402 14.503 1.00 2.10 H new ATOM 0 HG22 ILE A 191 3.422 -3.908 13.655 1.00 2.10 H new ATOM 0 HG23 ILE A 191 1.782 -4.078 14.324 1.00 2.10 H new ATOM 0 HD11 ILE A 191 0.627 -8.087 13.803 1.00 12.40 H new ATOM 0 HD12 ILE A 191 2.310 -7.908 13.253 1.00 12.40 H new ATOM 0 HD13 ILE A 191 1.730 -6.983 14.658 1.00 12.40 H new ATOM 755 N PRO A 192 2.475 -4.671 9.311 1.00 70.12 N ATOM 756 CA PRO A 192 2.374 -5.134 7.910 1.00 14.12 C ATOM 757 C PRO A 192 1.736 -6.524 7.762 1.00 62.42 C ATOM 758 O PRO A 192 0.833 -6.718 6.949 1.00 42.02 O ATOM 759 CB PRO A 192 3.835 -5.159 7.441 1.00 51.22 C ATOM 760 CG PRO A 192 4.518 -4.143 8.294 1.00 71.30 C ATOM 761 CD PRO A 192 3.839 -4.205 9.638 1.00 71.23 C ATOM 0 HA PRO A 192 1.725 -4.482 7.325 1.00 14.12 H new ATOM 0 HB2 PRO A 192 4.277 -6.147 7.570 1.00 51.22 H new ATOM 0 HB3 PRO A 192 3.917 -4.909 6.383 1.00 51.22 H new ATOM 0 HG2 PRO A 192 5.582 -4.361 8.384 1.00 71.30 H new ATOM 0 HG3 PRO A 192 4.432 -3.147 7.859 1.00 71.30 H new ATOM 0 HD2 PRO A 192 4.347 -4.893 10.314 1.00 71.23 H new ATOM 0 HD3 PRO A 192 3.825 -3.231 10.126 1.00 71.23 H new ATOM 769 N GLU A 193 2.186 -7.483 8.574 1.00 1.11 N ATOM 770 CA GLU A 193 1.717 -8.876 8.465 1.00 33.02 C ATOM 771 C GLU A 193 0.263 -9.055 8.949 1.00 63.34 C ATOM 772 O GLU A 193 -0.299 -10.147 8.853 1.00 70.22 O ATOM 773 CB GLU A 193 2.665 -9.813 9.232 1.00 52.41 C ATOM 774 CG GLU A 193 2.855 -9.454 10.702 1.00 33.23 C ATOM 775 CD GLU A 193 3.915 -10.312 11.377 1.00 42.33 C ATOM 776 OE1 GLU A 193 3.605 -11.463 11.751 1.00 44.00 O ATOM 777 OE2 GLU A 193 5.065 -9.848 11.526 1.00 44.04 O ATOM 0 H GLU A 193 2.872 -7.327 9.313 1.00 1.11 H new ATOM 0 HA GLU A 193 1.726 -9.138 7.407 1.00 33.02 H new ATOM 0 HB2 GLU A 193 2.281 -10.831 9.166 1.00 52.41 H new ATOM 0 HB3 GLU A 193 3.638 -9.807 8.741 1.00 52.41 H new ATOM 0 HG2 GLU A 193 3.136 -8.404 10.783 1.00 33.23 H new ATOM 0 HG3 GLU A 193 1.907 -9.572 11.227 1.00 33.23 H new ATOM 784 N CYS A 194 -0.340 -7.982 9.455 1.00 62.22 N ATOM 785 CA CYS A 194 -1.746 -8.011 9.894 1.00 74.01 C ATOM 786 C CYS A 194 -2.688 -7.532 8.782 1.00 13.23 C ATOM 787 O CYS A 194 -3.911 -7.645 8.892 1.00 4.34 O ATOM 788 CB CYS A 194 -1.924 -7.137 11.142 1.00 21.33 C ATOM 789 SG CYS A 194 -3.626 -6.998 11.743 1.00 35.12 S ATOM 0 H CYS A 194 0.117 -7.078 9.574 1.00 62.22 H new ATOM 0 HA CYS A 194 -2.003 -9.043 10.134 1.00 74.01 H new ATOM 0 HB2 CYS A 194 -1.304 -7.542 11.942 1.00 21.33 H new ATOM 0 HB3 CYS A 194 -1.549 -6.137 10.923 1.00 21.33 H new ATOM 0 HG CYS A 194 -4.451 -7.155 10.750 1.00 35.12 H new ATOM 795 N CYS A 195 -2.117 -7.011 7.698 1.00 20.12 N ATOM 796 CA CYS A 195 -2.907 -6.446 6.598 1.00 10.30 C ATOM 797 C CYS A 195 -2.385 -6.901 5.229 1.00 72.32 C ATOM 798 O CYS A 195 -1.237 -7.317 5.095 1.00 44.02 O ATOM 799 CB CYS A 195 -2.897 -4.914 6.677 1.00 5.34 C ATOM 800 SG CYS A 195 -3.715 -4.242 8.144 1.00 75.11 S ATOM 0 H CYS A 195 -1.108 -6.967 7.555 1.00 20.12 H new ATOM 0 HA CYS A 195 -3.928 -6.812 6.703 1.00 10.30 H new ATOM 0 HB2 CYS A 195 -1.864 -4.567 6.660 1.00 5.34 H new ATOM 0 HB3 CYS A 195 -3.383 -4.512 5.788 1.00 5.34 H new ATOM 0 HG CYS A 195 -4.075 -5.217 8.925 1.00 75.11 H new ATOM 806 N ALA A 196 -3.243 -6.826 4.217 1.00 54.13 N ATOM 807 CA ALA A 196 -2.872 -7.198 2.847 1.00 3.32 C ATOM 808 C ALA A 196 -3.145 -6.054 1.864 1.00 70.25 C ATOM 809 O ALA A 196 -4.229 -5.466 1.868 1.00 1.14 O ATOM 810 CB ALA A 196 -3.626 -8.450 2.418 1.00 52.25 C ATOM 0 H ALA A 196 -4.208 -6.509 4.316 1.00 54.13 H new ATOM 0 HA ALA A 196 -1.802 -7.404 2.835 1.00 3.32 H new ATOM 0 HB1 ALA A 196 -3.342 -8.715 1.400 1.00 52.25 H new ATOM 0 HB2 ALA A 196 -3.378 -9.272 3.090 1.00 52.25 H new ATOM 0 HB3 ALA A 196 -4.699 -8.260 2.457 1.00 52.25 H new ATOM 816 N VAL A 197 -2.160 -5.746 1.026 1.00 74.01 N ATOM 817 CA VAL A 197 -2.291 -4.686 0.024 1.00 62.24 C ATOM 818 C VAL A 197 -2.530 -5.274 -1.375 1.00 44.34 C ATOM 819 O VAL A 197 -1.758 -6.104 -1.845 1.00 53.32 O ATOM 820 CB VAL A 197 -1.021 -3.798 -0.021 1.00 3.03 C ATOM 821 CG1 VAL A 197 -1.163 -2.687 -1.059 1.00 71.10 C ATOM 822 CG2 VAL A 197 -0.714 -3.215 1.356 1.00 54.43 C ATOM 0 H VAL A 197 -1.255 -6.217 1.019 1.00 74.01 H new ATOM 0 HA VAL A 197 -3.148 -4.079 0.315 1.00 62.24 H new ATOM 0 HB VAL A 197 -0.184 -4.430 -0.317 1.00 3.03 H new ATOM 0 HG11 VAL A 197 -0.258 -2.080 -1.069 1.00 71.10 H new ATOM 0 HG12 VAL A 197 -1.315 -3.127 -2.045 1.00 71.10 H new ATOM 0 HG13 VAL A 197 -2.018 -2.060 -0.806 1.00 71.10 H new ATOM 0 HG21 VAL A 197 0.181 -2.596 1.298 1.00 54.43 H new ATOM 0 HG22 VAL A 197 -1.555 -2.607 1.689 1.00 54.43 H new ATOM 0 HG23 VAL A 197 -0.549 -4.026 2.066 1.00 54.43 H new ATOM 832 N TYR A 198 -3.599 -4.848 -2.038 1.00 20.14 N ATOM 833 CA TYR A 198 -3.873 -5.292 -3.409 1.00 41.11 C ATOM 834 C TYR A 198 -4.336 -4.124 -4.285 1.00 72.31 C ATOM 835 O TYR A 198 -4.925 -3.156 -3.795 1.00 2.53 O ATOM 836 CB TYR A 198 -4.933 -6.412 -3.424 1.00 0.24 C ATOM 837 CG TYR A 198 -6.345 -5.956 -3.085 1.00 33.23 C ATOM 838 CD1 TYR A 198 -6.786 -5.899 -1.768 1.00 10.12 C ATOM 839 CD2 TYR A 198 -7.240 -5.586 -4.090 1.00 34.02 C ATOM 840 CE1 TYR A 198 -8.071 -5.490 -1.465 1.00 4.30 C ATOM 841 CE2 TYR A 198 -8.522 -5.175 -3.787 1.00 74.11 C ATOM 842 CZ TYR A 198 -8.933 -5.129 -2.476 1.00 31.02 C ATOM 843 OH TYR A 198 -10.215 -4.720 -2.175 1.00 33.44 O ATOM 0 H TYR A 198 -4.288 -4.200 -1.656 1.00 20.14 H new ATOM 0 HA TYR A 198 -2.942 -5.685 -3.818 1.00 41.11 H new ATOM 0 HB2 TYR A 198 -4.942 -6.872 -4.412 1.00 0.24 H new ATOM 0 HB3 TYR A 198 -4.635 -7.185 -2.715 1.00 0.24 H new ATOM 0 HD1 TYR A 198 -6.115 -6.178 -0.970 1.00 10.12 H new ATOM 0 HD2 TYR A 198 -6.924 -5.622 -5.122 1.00 34.02 H new ATOM 0 HE1 TYR A 198 -8.398 -5.454 -0.436 1.00 4.30 H new ATOM 0 HE2 TYR A 198 -9.200 -4.890 -4.578 1.00 74.11 H new ATOM 0 HH TYR A 198 -10.522 -4.081 -2.851 1.00 33.44 H new ATOM 853 N ARG A 199 -4.064 -4.214 -5.582 1.00 21.14 N ATOM 854 CA ARG A 199 -4.577 -3.237 -6.542 1.00 54.22 C ATOM 855 C ARG A 199 -5.612 -3.896 -7.459 1.00 4.23 C ATOM 856 O ARG A 199 -5.472 -5.064 -7.834 1.00 44.00 O ATOM 857 CB ARG A 199 -3.439 -2.630 -7.383 1.00 30.53 C ATOM 858 CG ARG A 199 -2.814 -3.599 -8.384 1.00 43.33 C ATOM 859 CD ARG A 199 -1.797 -2.904 -9.284 1.00 70.21 C ATOM 860 NE ARG A 199 -1.236 -3.803 -10.292 1.00 53.22 N ATOM 861 CZ ARG A 199 -0.421 -3.425 -11.244 1.00 50.12 C ATOM 862 NH1 ARG A 199 -0.080 -2.182 -11.375 1.00 63.20 N ATOM 863 NH2 ARG A 199 0.042 -4.294 -12.080 1.00 3.12 N ATOM 0 H ARG A 199 -3.492 -4.951 -5.995 1.00 21.14 H new ATOM 0 HA ARG A 199 -5.051 -2.431 -5.983 1.00 54.22 H new ATOM 0 HB2 ARG A 199 -3.824 -1.765 -7.923 1.00 30.53 H new ATOM 0 HB3 ARG A 199 -2.661 -2.266 -6.712 1.00 30.53 H new ATOM 0 HG2 ARG A 199 -2.328 -4.413 -7.847 1.00 43.33 H new ATOM 0 HG3 ARG A 199 -3.598 -4.044 -8.997 1.00 43.33 H new ATOM 0 HD2 ARG A 199 -2.274 -2.059 -9.780 1.00 70.21 H new ATOM 0 HD3 ARG A 199 -0.990 -2.501 -8.672 1.00 70.21 H new ATOM 0 HE ARG A 199 -1.497 -4.788 -10.250 1.00 53.22 H new ATOM 0 HH11 ARG A 199 -0.448 -1.482 -10.731 1.00 63.20 H new ATOM 0 HH12 ARG A 199 0.556 -1.904 -12.122 1.00 63.20 H new ATOM 0 HH21 ARG A 199 -0.228 -5.274 -11.998 1.00 3.12 H new ATOM 0 HH22 ARG A 199 0.677 -4.000 -12.822 1.00 3.12 H new ATOM 877 N ILE A 200 -6.658 -3.159 -7.798 1.00 51.41 N ATOM 878 CA ILE A 200 -7.648 -3.640 -8.752 1.00 51.24 C ATOM 879 C ILE A 200 -7.155 -3.390 -10.178 1.00 74.30 C ATOM 880 O ILE A 200 -7.183 -2.261 -10.675 1.00 15.04 O ATOM 881 CB ILE A 200 -9.025 -2.970 -8.530 1.00 14.33 C ATOM 882 CG1 ILE A 200 -9.506 -3.235 -7.093 1.00 63.34 C ATOM 883 CG2 ILE A 200 -10.045 -3.478 -9.550 1.00 41.44 C ATOM 884 CD1 ILE A 200 -10.880 -2.683 -6.791 1.00 20.25 C ATOM 0 H ILE A 200 -6.844 -2.227 -7.428 1.00 51.41 H new ATOM 0 HA ILE A 200 -7.778 -4.711 -8.597 1.00 51.24 H new ATOM 0 HB ILE A 200 -8.922 -1.894 -8.672 1.00 14.33 H new ATOM 0 HG12 ILE A 200 -9.511 -4.310 -6.915 1.00 63.34 H new ATOM 0 HG13 ILE A 200 -8.790 -2.800 -6.396 1.00 63.34 H new ATOM 0 HG21 ILE A 200 -11.006 -2.994 -9.376 1.00 41.44 H new ATOM 0 HG22 ILE A 200 -9.699 -3.246 -10.557 1.00 41.44 H new ATOM 0 HG23 ILE A 200 -10.158 -4.557 -9.445 1.00 41.44 H new ATOM 0 HD11 ILE A 200 -11.145 -2.912 -5.759 1.00 20.25 H new ATOM 0 HD12 ILE A 200 -10.878 -1.602 -6.934 1.00 20.25 H new ATOM 0 HD13 ILE A 200 -11.610 -3.136 -7.462 1.00 20.25 H new ATOM 896 N GLN A 201 -6.688 -4.451 -10.827 1.00 63.42 N ATOM 897 CA GLN A 201 -6.077 -4.351 -12.150 1.00 51.33 C ATOM 898 C GLN A 201 -7.051 -4.816 -13.236 1.00 75.10 C ATOM 899 O GLN A 201 -7.386 -5.998 -13.321 1.00 24.10 O ATOM 900 CB GLN A 201 -4.792 -5.189 -12.191 1.00 31.20 C ATOM 901 CG GLN A 201 -4.080 -5.174 -13.542 1.00 40.10 C ATOM 902 CD GLN A 201 -2.783 -5.971 -13.539 1.00 0.13 C ATOM 903 OE1 GLN A 201 -2.096 -6.069 -12.523 1.00 4.03 O ATOM 904 NE2 GLN A 201 -2.445 -6.551 -14.670 1.00 61.25 N ATOM 0 H GLN A 201 -6.721 -5.400 -10.455 1.00 63.42 H new ATOM 0 HA GLN A 201 -5.830 -3.307 -12.343 1.00 51.33 H new ATOM 0 HB2 GLN A 201 -4.107 -4.821 -11.427 1.00 31.20 H new ATOM 0 HB3 GLN A 201 -5.035 -6.220 -11.932 1.00 31.20 H new ATOM 0 HG2 GLN A 201 -4.747 -5.579 -14.303 1.00 40.10 H new ATOM 0 HG3 GLN A 201 -3.866 -4.143 -13.822 1.00 40.10 H new ATOM 0 HE21 GLN A 201 -3.039 -6.448 -15.493 1.00 61.25 H new ATOM 0 HE22 GLN A 201 -1.589 -7.103 -14.724 1.00 61.25 H new ATOM 913 N ASP A 202 -7.531 -3.860 -14.032 1.00 44.31 N ATOM 914 CA ASP A 202 -8.483 -4.129 -15.115 1.00 31.30 C ATOM 915 C ASP A 202 -9.797 -4.736 -14.572 1.00 22.34 C ATOM 916 O ASP A 202 -10.608 -5.268 -15.327 1.00 1.21 O ATOM 917 CB ASP A 202 -7.837 -5.050 -16.166 1.00 1.31 C ATOM 918 CG ASP A 202 -8.618 -5.088 -17.469 1.00 64.23 C ATOM 919 OD1 ASP A 202 -8.902 -4.006 -18.022 1.00 2.35 O ATOM 920 OD2 ASP A 202 -8.931 -6.194 -17.961 1.00 60.22 O ATOM 0 H ASP A 202 -7.272 -2.877 -13.946 1.00 44.31 H new ATOM 0 HA ASP A 202 -8.739 -3.183 -15.592 1.00 31.30 H new ATOM 0 HB2 ASP A 202 -6.821 -4.710 -16.366 1.00 1.31 H new ATOM 0 HB3 ASP A 202 -7.762 -6.060 -15.762 1.00 1.31 H new ATOM 925 N GLY A 203 -10.021 -4.601 -13.261 1.00 52.15 N ATOM 926 CA GLY A 203 -11.201 -5.186 -12.622 1.00 70.51 C ATOM 927 C GLY A 203 -10.880 -6.381 -11.721 1.00 12.30 C ATOM 928 O GLY A 203 -11.679 -6.744 -10.852 1.00 5.34 O ATOM 0 H GLY A 203 -9.404 -4.095 -12.626 1.00 52.15 H new ATOM 0 HA2 GLY A 203 -11.701 -4.419 -12.030 1.00 70.51 H new ATOM 0 HA3 GLY A 203 -11.903 -5.502 -13.394 1.00 70.51 H new ATOM 932 N GLU A 204 -9.713 -6.993 -11.915 1.00 20.43 N ATOM 933 CA GLU A 204 -9.296 -8.148 -11.104 1.00 33.44 C ATOM 934 C GLU A 204 -8.547 -7.716 -9.827 1.00 32.02 C ATOM 935 O GLU A 204 -7.543 -7.000 -9.889 1.00 10.42 O ATOM 936 CB GLU A 204 -8.405 -9.098 -11.930 1.00 35.24 C ATOM 937 CG GLU A 204 -9.160 -9.977 -12.930 1.00 73.04 C ATOM 938 CD GLU A 204 -9.796 -9.199 -14.076 1.00 32.33 C ATOM 939 OE1 GLU A 204 -10.958 -8.765 -13.935 1.00 61.44 O ATOM 940 OE2 GLU A 204 -9.142 -9.041 -15.130 1.00 32.30 O ATOM 0 H GLU A 204 -9.036 -6.713 -12.625 1.00 20.43 H new ATOM 0 HA GLU A 204 -10.204 -8.671 -10.803 1.00 33.44 H new ATOM 0 HB2 GLU A 204 -7.670 -8.504 -12.472 1.00 35.24 H new ATOM 0 HB3 GLU A 204 -7.853 -9.742 -11.246 1.00 35.24 H new ATOM 0 HG2 GLU A 204 -8.472 -10.715 -13.342 1.00 73.04 H new ATOM 0 HG3 GLU A 204 -9.938 -10.527 -12.401 1.00 73.04 H new ATOM 947 N LYS A 205 -9.045 -8.155 -8.670 1.00 2.04 N ATOM 948 CA LYS A 205 -8.370 -7.919 -7.389 1.00 5.25 C ATOM 949 C LYS A 205 -7.225 -8.919 -7.190 1.00 63.21 C ATOM 950 O LYS A 205 -7.458 -10.091 -6.885 1.00 50.43 O ATOM 951 CB LYS A 205 -9.356 -8.041 -6.217 1.00 3.45 C ATOM 952 CG LYS A 205 -10.368 -6.906 -6.117 1.00 33.22 C ATOM 953 CD LYS A 205 -11.266 -7.071 -4.890 1.00 62.33 C ATOM 954 CE LYS A 205 -12.212 -5.890 -4.704 1.00 1.32 C ATOM 955 NZ LYS A 205 -12.978 -5.993 -3.432 1.00 14.14 N ATOM 0 H LYS A 205 -9.917 -8.678 -8.592 1.00 2.04 H new ATOM 0 HA LYS A 205 -7.967 -6.906 -7.411 1.00 5.25 H new ATOM 0 HB2 LYS A 205 -9.895 -8.984 -6.310 1.00 3.45 H new ATOM 0 HB3 LYS A 205 -8.790 -8.088 -5.287 1.00 3.45 H new ATOM 0 HG2 LYS A 205 -9.844 -5.952 -6.061 1.00 33.22 H new ATOM 0 HG3 LYS A 205 -10.980 -6.881 -7.018 1.00 33.22 H new ATOM 0 HD2 LYS A 205 -11.847 -7.988 -4.988 1.00 62.33 H new ATOM 0 HD3 LYS A 205 -10.646 -7.181 -4.000 1.00 62.33 H new ATOM 0 HE2 LYS A 205 -11.641 -4.962 -4.711 1.00 1.32 H new ATOM 0 HE3 LYS A 205 -12.905 -5.844 -5.544 1.00 1.32 H new ATOM 0 HZ1 LYS A 205 -13.611 -5.173 -3.340 1.00 14.14 H new ATOM 0 HZ2 LYS A 205 -13.542 -6.867 -3.436 1.00 14.14 H new ATOM 0 HZ3 LYS A 205 -12.317 -6.012 -2.629 1.00 14.14 H new ATOM 969 N LYS A 206 -5.993 -8.461 -7.371 1.00 11.12 N ATOM 970 CA LYS A 206 -4.820 -9.332 -7.211 1.00 12.24 C ATOM 971 C LYS A 206 -3.918 -8.874 -6.046 1.00 14.41 C ATOM 972 O LYS A 206 -3.347 -7.782 -6.079 1.00 41.52 O ATOM 973 CB LYS A 206 -4.028 -9.403 -8.524 1.00 31.23 C ATOM 974 CG LYS A 206 -4.803 -10.079 -9.653 1.00 72.02 C ATOM 975 CD LYS A 206 -3.941 -10.310 -10.891 1.00 30.20 C ATOM 976 CE LYS A 206 -4.695 -11.098 -11.960 1.00 20.14 C ATOM 977 NZ LYS A 206 -3.840 -11.424 -13.131 1.00 5.32 N ATOM 0 H LYS A 206 -5.773 -7.498 -7.627 1.00 11.12 H new ATOM 0 HA LYS A 206 -5.178 -10.331 -6.963 1.00 12.24 H new ATOM 0 HB2 LYS A 206 -3.755 -8.394 -8.832 1.00 31.23 H new ATOM 0 HB3 LYS A 206 -3.099 -9.946 -8.352 1.00 31.23 H new ATOM 0 HG2 LYS A 206 -5.193 -11.034 -9.301 1.00 72.02 H new ATOM 0 HG3 LYS A 206 -5.662 -9.463 -9.921 1.00 72.02 H new ATOM 0 HD2 LYS A 206 -3.626 -9.350 -11.300 1.00 30.20 H new ATOM 0 HD3 LYS A 206 -3.037 -10.850 -10.610 1.00 30.20 H new ATOM 0 HE2 LYS A 206 -5.078 -12.021 -11.525 1.00 20.14 H new ATOM 0 HE3 LYS A 206 -5.558 -10.521 -12.293 1.00 20.14 H new ATOM 0 HZ1 LYS A 206 -4.396 -11.959 -13.829 1.00 5.32 H new ATOM 0 HZ2 LYS A 206 -3.495 -10.544 -13.564 1.00 5.32 H new ATOM 0 HZ3 LYS A 206 -3.030 -11.998 -12.821 1.00 5.32 H new ATOM 991 N PRO A 207 -3.798 -9.712 -4.989 1.00 43.24 N ATOM 992 CA PRO A 207 -2.995 -9.399 -3.784 1.00 12.52 C ATOM 993 C PRO A 207 -1.494 -9.209 -4.068 1.00 61.11 C ATOM 994 O PRO A 207 -0.867 -10.012 -4.763 1.00 3.32 O ATOM 995 CB PRO A 207 -3.217 -10.620 -2.872 1.00 22.11 C ATOM 996 CG PRO A 207 -4.459 -11.263 -3.390 1.00 32.15 C ATOM 997 CD PRO A 207 -4.447 -11.029 -4.873 1.00 72.02 C ATOM 0 HA PRO A 207 -3.306 -8.450 -3.347 1.00 12.52 H new ATOM 0 HB2 PRO A 207 -2.370 -11.305 -2.915 1.00 22.11 H new ATOM 0 HB3 PRO A 207 -3.332 -10.320 -1.830 1.00 22.11 H new ATOM 0 HG2 PRO A 207 -4.473 -12.329 -3.162 1.00 32.15 H new ATOM 0 HG3 PRO A 207 -5.347 -10.827 -2.932 1.00 32.15 H new ATOM 0 HD2 PRO A 207 -3.889 -11.803 -5.400 1.00 72.02 H new ATOM 0 HD3 PRO A 207 -5.454 -11.022 -5.290 1.00 72.02 H new ATOM 1005 N ILE A 208 -0.930 -8.147 -3.497 1.00 33.12 N ATOM 1006 CA ILE A 208 0.493 -7.816 -3.657 1.00 52.42 C ATOM 1007 C ILE A 208 1.258 -8.040 -2.337 1.00 43.53 C ATOM 1008 O ILE A 208 0.681 -7.959 -1.253 1.00 14.55 O ATOM 1009 CB ILE A 208 0.652 -6.335 -4.105 1.00 32.13 C ATOM 1010 CG1 ILE A 208 -0.225 -6.054 -5.338 1.00 61.32 C ATOM 1011 CG2 ILE A 208 2.116 -5.999 -4.397 1.00 2.02 C ATOM 1012 CD1 ILE A 208 -0.247 -4.600 -5.763 1.00 20.22 C ATOM 0 H ILE A 208 -1.442 -7.489 -2.910 1.00 33.12 H new ATOM 0 HA ILE A 208 0.910 -8.472 -4.421 1.00 52.42 H new ATOM 0 HB ILE A 208 0.321 -5.696 -3.287 1.00 32.13 H new ATOM 0 HG12 ILE A 208 0.133 -6.659 -6.171 1.00 61.32 H new ATOM 0 HG13 ILE A 208 -1.245 -6.375 -5.126 1.00 61.32 H new ATOM 0 HG21 ILE A 208 2.195 -4.957 -4.708 1.00 2.02 H new ATOM 0 HG22 ILE A 208 2.712 -6.156 -3.498 1.00 2.02 H new ATOM 0 HG23 ILE A 208 2.485 -6.644 -5.194 1.00 2.02 H new ATOM 0 HD11 ILE A 208 -0.887 -4.486 -6.638 1.00 20.22 H new ATOM 0 HD12 ILE A 208 -0.634 -3.989 -4.948 1.00 20.22 H new ATOM 0 HD13 ILE A 208 0.765 -4.278 -6.009 1.00 20.22 H new ATOM 1024 N GLY A 209 2.558 -8.323 -2.433 1.00 23.45 N ATOM 1025 CA GLY A 209 3.369 -8.535 -1.236 1.00 2.34 C ATOM 1026 C GLY A 209 3.988 -7.246 -0.702 1.00 73.22 C ATOM 1027 O GLY A 209 4.281 -6.326 -1.463 1.00 42.14 O ATOM 0 H GLY A 209 3.065 -8.410 -3.314 1.00 23.45 H new ATOM 0 HA2 GLY A 209 2.750 -8.984 -0.459 1.00 2.34 H new ATOM 0 HA3 GLY A 209 4.163 -9.247 -1.462 1.00 2.34 H new ATOM 1031 N TRP A 210 4.206 -7.178 0.609 1.00 73.10 N ATOM 1032 CA TRP A 210 4.786 -5.986 1.233 1.00 10.23 C ATOM 1033 C TRP A 210 6.253 -5.783 0.814 1.00 3.31 C ATOM 1034 O TRP A 210 6.745 -4.655 0.789 1.00 0.12 O ATOM 1035 CB TRP A 210 4.671 -6.074 2.760 1.00 32.40 C ATOM 1036 CG TRP A 210 3.257 -5.967 3.263 1.00 31.11 C ATOM 1037 CD1 TRP A 210 2.361 -6.985 3.429 1.00 41.21 C ATOM 1038 CD2 TRP A 210 2.579 -4.770 3.663 1.00 71.42 C ATOM 1039 NE1 TRP A 210 1.172 -6.491 3.907 1.00 20.54 N ATOM 1040 CE2 TRP A 210 1.282 -5.137 4.063 1.00 60.34 C ATOM 1041 CE3 TRP A 210 2.947 -3.423 3.728 1.00 10.42 C ATOM 1042 CZ2 TRP A 210 0.351 -4.209 4.518 1.00 14.12 C ATOM 1043 CZ3 TRP A 210 2.020 -2.500 4.178 1.00 32.34 C ATOM 1044 CH2 TRP A 210 0.736 -2.898 4.571 1.00 54.33 C ATOM 0 H TRP A 210 3.991 -7.932 1.261 1.00 73.10 H new ATOM 0 HA TRP A 210 4.221 -5.121 0.885 1.00 10.23 H new ATOM 0 HB2 TRP A 210 5.096 -7.020 3.094 1.00 32.40 H new ATOM 0 HB3 TRP A 210 5.268 -5.280 3.208 1.00 32.40 H new ATOM 0 HD1 TRP A 210 2.559 -8.025 3.216 1.00 41.21 H new ATOM 0 HE1 TRP A 210 0.341 -7.045 4.113 1.00 20.54 H new ATOM 0 HE3 TRP A 210 3.937 -3.109 3.432 1.00 10.42 H new ATOM 0 HZ2 TRP A 210 -0.641 -4.513 4.819 1.00 14.12 H new ATOM 0 HZ3 TRP A 210 2.291 -1.456 4.227 1.00 32.34 H new ATOM 0 HH2 TRP A 210 0.036 -2.155 4.923 1.00 54.33 H new ATOM 1055 N ASP A 211 6.947 -6.873 0.482 1.00 22.12 N ATOM 1056 CA ASP A 211 8.340 -6.787 0.020 1.00 42.34 C ATOM 1057 C ASP A 211 8.430 -6.405 -1.473 1.00 21.44 C ATOM 1058 O ASP A 211 9.524 -6.224 -2.012 1.00 5.20 O ATOM 1059 CB ASP A 211 9.084 -8.107 0.283 1.00 54.51 C ATOM 1060 CG ASP A 211 8.454 -9.296 -0.422 1.00 43.35 C ATOM 1061 OD1 ASP A 211 8.693 -9.477 -1.634 1.00 10.31 O ATOM 1062 OD2 ASP A 211 7.729 -10.072 0.239 1.00 11.31 O ATOM 0 H ASP A 211 6.573 -7.821 0.523 1.00 22.12 H new ATOM 0 HA ASP A 211 8.821 -5.993 0.592 1.00 42.34 H new ATOM 0 HB2 ASP A 211 10.119 -8.005 -0.043 1.00 54.51 H new ATOM 0 HB3 ASP A 211 9.105 -8.298 1.356 1.00 54.51 H new ATOM 1067 N THR A 212 7.278 -6.284 -2.135 1.00 70.33 N ATOM 1068 CA THR A 212 7.235 -5.875 -3.545 1.00 33.13 C ATOM 1069 C THR A 212 7.662 -4.407 -3.708 1.00 1.51 C ATOM 1070 O THR A 212 7.336 -3.558 -2.880 1.00 13.21 O ATOM 1071 CB THR A 212 5.820 -6.064 -4.158 1.00 41.33 C ATOM 1072 OG1 THR A 212 5.407 -7.437 -4.044 1.00 64.22 O ATOM 1073 CG2 THR A 212 5.784 -5.648 -5.628 1.00 5.41 C ATOM 0 H THR A 212 6.363 -6.462 -1.721 1.00 70.33 H new ATOM 0 HA THR A 212 7.935 -6.518 -4.078 1.00 33.13 H new ATOM 0 HB THR A 212 5.135 -5.424 -3.601 1.00 41.33 H new ATOM 0 HG1 THR A 212 4.946 -7.570 -3.190 1.00 64.22 H new ATOM 0 HG21 THR A 212 4.779 -5.794 -6.023 1.00 5.41 H new ATOM 0 HG22 THR A 212 6.059 -4.597 -5.716 1.00 5.41 H new ATOM 0 HG23 THR A 212 6.489 -6.256 -6.196 1.00 5.41 H new ATOM 1081 N ASP A 213 8.395 -4.119 -4.779 1.00 34.22 N ATOM 1082 CA ASP A 213 8.892 -2.764 -5.044 1.00 72.43 C ATOM 1083 C ASP A 213 7.736 -1.791 -5.359 1.00 24.04 C ATOM 1084 O ASP A 213 7.019 -1.954 -6.349 1.00 13.31 O ATOM 1085 CB ASP A 213 9.888 -2.806 -6.208 1.00 32.32 C ATOM 1086 CG ASP A 213 10.964 -3.861 -5.996 1.00 20.10 C ATOM 1087 OD1 ASP A 213 10.667 -5.064 -6.174 1.00 52.43 O ATOM 1088 OD2 ASP A 213 12.104 -3.501 -5.641 1.00 12.53 O ATOM 0 H ASP A 213 8.662 -4.807 -5.484 1.00 34.22 H new ATOM 0 HA ASP A 213 9.393 -2.397 -4.148 1.00 72.43 H new ATOM 0 HB2 ASP A 213 9.354 -3.013 -7.135 1.00 32.32 H new ATOM 0 HB3 ASP A 213 10.356 -1.828 -6.321 1.00 32.32 H new ATOM 1093 N ILE A 214 7.572 -0.770 -4.514 1.00 43.13 N ATOM 1094 CA ILE A 214 6.460 0.187 -4.635 1.00 31.30 C ATOM 1095 C ILE A 214 6.493 0.961 -5.970 1.00 72.22 C ATOM 1096 O ILE A 214 5.470 1.471 -6.429 1.00 4.33 O ATOM 1097 CB ILE A 214 6.463 1.199 -3.455 1.00 4.41 C ATOM 1098 CG1 ILE A 214 5.204 2.088 -3.495 1.00 74.52 C ATOM 1099 CG2 ILE A 214 7.727 2.061 -3.481 1.00 0.35 C ATOM 1100 CD1 ILE A 214 5.108 3.081 -2.353 1.00 4.10 C ATOM 0 H ILE A 214 8.198 -0.581 -3.732 1.00 43.13 H new ATOM 0 HA ILE A 214 5.544 -0.404 -4.607 1.00 31.30 H new ATOM 0 HB ILE A 214 6.454 0.632 -2.524 1.00 4.41 H new ATOM 0 HG12 ILE A 214 5.188 2.634 -4.438 1.00 74.52 H new ATOM 0 HG13 ILE A 214 4.321 1.449 -3.481 1.00 74.52 H new ATOM 0 HG21 ILE A 214 7.707 2.762 -2.646 1.00 0.35 H new ATOM 0 HG22 ILE A 214 8.605 1.421 -3.397 1.00 0.35 H new ATOM 0 HG23 ILE A 214 7.770 2.615 -4.419 1.00 0.35 H new ATOM 0 HD11 ILE A 214 4.194 3.667 -2.456 1.00 4.10 H new ATOM 0 HD12 ILE A 214 5.090 2.544 -1.405 1.00 4.10 H new ATOM 0 HD13 ILE A 214 5.970 3.747 -2.377 1.00 4.10 H new ATOM 1112 N SER A 215 7.667 1.032 -6.595 1.00 11.32 N ATOM 1113 CA SER A 215 7.835 1.750 -7.870 1.00 1.33 C ATOM 1114 C SER A 215 6.943 1.176 -8.987 1.00 72.13 C ATOM 1115 O SER A 215 6.698 1.839 -9.998 1.00 1.42 O ATOM 1116 CB SER A 215 9.304 1.707 -8.305 1.00 74.34 C ATOM 1117 OG SER A 215 9.796 0.377 -8.317 1.00 73.01 O ATOM 0 H SER A 215 8.522 0.602 -6.243 1.00 11.32 H new ATOM 0 HA SER A 215 7.527 2.782 -7.703 1.00 1.33 H new ATOM 0 HB2 SER A 215 9.405 2.144 -9.298 1.00 74.34 H new ATOM 0 HB3 SER A 215 9.905 2.314 -7.627 1.00 74.34 H new ATOM 0 HG SER A 215 10.734 0.378 -8.600 1.00 73.01 H new ATOM 1123 N TRP A 216 6.457 -0.051 -8.801 1.00 13.24 N ATOM 1124 CA TRP A 216 5.566 -0.700 -9.777 1.00 42.43 C ATOM 1125 C TRP A 216 4.115 -0.199 -9.654 1.00 22.11 C ATOM 1126 O TRP A 216 3.291 -0.423 -10.540 1.00 53.21 O ATOM 1127 CB TRP A 216 5.591 -2.223 -9.576 1.00 40.20 C ATOM 1128 CG TRP A 216 6.928 -2.856 -9.839 1.00 71.24 C ATOM 1129 CD1 TRP A 216 8.142 -2.445 -9.367 1.00 14.02 C ATOM 1130 CD2 TRP A 216 7.182 -4.028 -10.622 1.00 52.01 C ATOM 1131 NE1 TRP A 216 9.132 -3.281 -9.820 1.00 3.12 N ATOM 1132 CE2 TRP A 216 8.569 -4.264 -10.589 1.00 44.25 C ATOM 1133 CE3 TRP A 216 6.368 -4.899 -11.349 1.00 21.22 C ATOM 1134 CZ2 TRP A 216 9.159 -5.335 -11.256 1.00 54.32 C ATOM 1135 CZ3 TRP A 216 6.953 -5.963 -12.010 1.00 61.41 C ATOM 1136 CH2 TRP A 216 8.338 -6.173 -11.958 1.00 72.33 C ATOM 0 H TRP A 216 6.663 -0.622 -7.981 1.00 13.24 H new ATOM 0 HA TRP A 216 5.931 -0.444 -10.772 1.00 42.43 H new ATOM 0 HB2 TRP A 216 5.290 -2.448 -8.553 1.00 40.20 H new ATOM 0 HB3 TRP A 216 4.850 -2.677 -10.234 1.00 40.20 H new ATOM 0 HD1 TRP A 216 8.300 -1.587 -8.730 1.00 14.02 H new ATOM 0 HE1 TRP A 216 10.127 -3.185 -9.616 1.00 3.12 H new ATOM 0 HE3 TRP A 216 5.300 -4.744 -11.394 1.00 21.22 H new ATOM 0 HZ2 TRP A 216 10.226 -5.498 -11.220 1.00 54.32 H new ATOM 0 HZ3 TRP A 216 6.333 -6.643 -12.575 1.00 61.41 H new ATOM 0 HH2 TRP A 216 8.765 -7.014 -12.483 1.00 72.33 H new ATOM 1147 N LEU A 217 3.810 0.479 -8.549 1.00 72.23 N ATOM 1148 CA LEU A 217 2.440 0.926 -8.250 1.00 4.23 C ATOM 1149 C LEU A 217 2.312 2.457 -8.349 1.00 2.30 C ATOM 1150 O LEU A 217 1.400 3.058 -7.782 1.00 72.41 O ATOM 1151 CB LEU A 217 2.058 0.448 -6.841 1.00 44.34 C ATOM 1152 CG LEU A 217 2.288 -1.051 -6.583 1.00 21.10 C ATOM 1153 CD1 LEU A 217 1.990 -1.410 -5.129 1.00 52.42 C ATOM 1154 CD2 LEU A 217 1.446 -1.897 -7.540 1.00 45.42 C ATOM 0 H LEU A 217 4.495 0.735 -7.838 1.00 72.23 H new ATOM 0 HA LEU A 217 1.761 0.496 -8.986 1.00 4.23 H new ATOM 0 HB2 LEU A 217 2.631 1.020 -6.111 1.00 44.34 H new ATOM 0 HB3 LEU A 217 1.006 0.675 -6.669 1.00 44.34 H new ATOM 0 HG LEU A 217 3.339 -1.270 -6.770 1.00 21.10 H new ATOM 0 HD11 LEU A 217 2.161 -2.475 -4.975 1.00 52.42 H new ATOM 0 HD12 LEU A 217 2.645 -0.839 -4.472 1.00 52.42 H new ATOM 0 HD13 LEU A 217 0.951 -1.173 -4.901 1.00 52.42 H new ATOM 0 HD21 LEU A 217 1.622 -2.954 -7.342 1.00 45.42 H new ATOM 0 HD22 LEU A 217 0.390 -1.671 -7.392 1.00 45.42 H new ATOM 0 HD23 LEU A 217 1.725 -1.669 -8.569 1.00 45.42 H new ATOM 1166 N THR A 218 3.219 3.072 -9.105 1.00 41.53 N ATOM 1167 CA THR A 218 3.298 4.538 -9.216 1.00 61.51 C ATOM 1168 C THR A 218 2.022 5.161 -9.810 1.00 3.13 C ATOM 1169 O THR A 218 1.621 4.836 -10.930 1.00 74.24 O ATOM 1170 CB THR A 218 4.500 4.970 -10.095 1.00 61.51 C ATOM 1171 OG1 THR A 218 5.731 4.485 -9.533 1.00 2.33 O ATOM 1172 CG2 THR A 218 4.574 6.488 -10.239 1.00 41.20 C ATOM 0 H THR A 218 3.919 2.577 -9.657 1.00 41.53 H new ATOM 0 HA THR A 218 3.423 4.901 -8.196 1.00 61.51 H new ATOM 0 HB THR A 218 4.352 4.537 -11.084 1.00 61.51 H new ATOM 0 HG1 THR A 218 5.883 3.562 -9.826 1.00 2.33 H new ATOM 0 HG21 THR A 218 5.429 6.753 -10.861 1.00 41.20 H new ATOM 0 HG22 THR A 218 3.659 6.854 -10.704 1.00 41.20 H new ATOM 0 HG23 THR A 218 4.687 6.942 -9.254 1.00 41.20 H new ATOM 1180 N GLY A 219 1.392 6.059 -9.055 1.00 23.32 N ATOM 1181 CA GLY A 219 0.291 6.862 -9.585 1.00 61.14 C ATOM 1182 C GLY A 219 -1.110 6.318 -9.303 1.00 2.52 C ATOM 1183 O GLY A 219 -2.081 7.080 -9.313 1.00 15.43 O ATOM 0 H GLY A 219 1.623 6.249 -8.080 1.00 23.32 H new ATOM 0 HA2 GLY A 219 0.363 7.867 -9.169 1.00 61.14 H new ATOM 0 HA3 GLY A 219 0.417 6.954 -10.664 1.00 61.14 H new ATOM 1187 N GLU A 220 -1.237 5.015 -9.060 1.00 24.11 N ATOM 1188 CA GLU A 220 -2.562 4.398 -8.894 1.00 71.21 C ATOM 1189 C GLU A 220 -2.937 4.198 -7.415 1.00 42.11 C ATOM 1190 O GLU A 220 -2.125 4.421 -6.513 1.00 4.30 O ATOM 1191 CB GLU A 220 -2.634 3.067 -9.656 1.00 73.24 C ATOM 1192 CG GLU A 220 -1.710 1.972 -9.130 1.00 65.30 C ATOM 1193 CD GLU A 220 -1.777 0.706 -9.978 1.00 11.14 C ATOM 1194 OE1 GLU A 220 -2.866 0.100 -10.067 1.00 2.23 O ATOM 1195 OE2 GLU A 220 -0.745 0.320 -10.571 1.00 23.14 O ATOM 0 H GLU A 220 -0.453 4.369 -8.974 1.00 24.11 H new ATOM 0 HA GLU A 220 -3.292 5.089 -9.315 1.00 71.21 H new ATOM 0 HB2 GLU A 220 -3.661 2.702 -9.623 1.00 73.24 H new ATOM 0 HB3 GLU A 220 -2.394 3.252 -10.703 1.00 73.24 H new ATOM 0 HG2 GLU A 220 -0.685 2.342 -9.112 1.00 65.30 H new ATOM 0 HG3 GLU A 220 -1.981 1.733 -8.102 1.00 65.30 H new ATOM 1202 N GLU A 221 -4.187 3.793 -7.179 1.00 22.22 N ATOM 1203 CA GLU A 221 -4.712 3.606 -5.821 1.00 33.24 C ATOM 1204 C GLU A 221 -4.553 2.153 -5.338 1.00 3.21 C ATOM 1205 O GLU A 221 -4.768 1.205 -6.095 1.00 22.13 O ATOM 1206 CB GLU A 221 -6.199 3.996 -5.763 1.00 1.55 C ATOM 1207 CG GLU A 221 -6.495 5.467 -6.080 1.00 63.24 C ATOM 1208 CD GLU A 221 -6.282 5.840 -7.541 1.00 14.33 C ATOM 1209 OE1 GLU A 221 -6.580 5.009 -8.429 1.00 41.42 O ATOM 1210 OE2 GLU A 221 -5.824 6.970 -7.811 1.00 71.34 O ATOM 0 H GLU A 221 -4.861 3.586 -7.916 1.00 22.22 H new ATOM 0 HA GLU A 221 -4.132 4.252 -5.163 1.00 33.24 H new ATOM 0 HB2 GLU A 221 -6.751 3.370 -6.464 1.00 1.55 H new ATOM 0 HB3 GLU A 221 -6.580 3.771 -4.767 1.00 1.55 H new ATOM 0 HG2 GLU A 221 -7.527 5.687 -5.806 1.00 63.24 H new ATOM 0 HG3 GLU A 221 -5.859 6.097 -5.458 1.00 63.24 H new ATOM 1217 N LEU A 222 -4.191 1.987 -4.068 1.00 74.01 N ATOM 1218 CA LEU A 222 -4.053 0.658 -3.456 1.00 3.40 C ATOM 1219 C LEU A 222 -5.136 0.418 -2.392 1.00 15.31 C ATOM 1220 O LEU A 222 -5.642 1.360 -1.785 1.00 2.15 O ATOM 1221 CB LEU A 222 -2.667 0.513 -2.814 1.00 70.30 C ATOM 1222 CG LEU A 222 -1.477 0.670 -3.773 1.00 73.12 C ATOM 1223 CD1 LEU A 222 -0.155 0.553 -3.016 1.00 43.22 C ATOM 1224 CD2 LEU A 222 -1.551 -0.357 -4.901 1.00 51.15 C ATOM 0 H LEU A 222 -3.986 2.760 -3.435 1.00 74.01 H new ATOM 0 HA LEU A 222 -4.172 -0.085 -4.245 1.00 3.40 H new ATOM 0 HB2 LEU A 222 -2.573 1.255 -2.021 1.00 70.30 H new ATOM 0 HB3 LEU A 222 -2.605 -0.468 -2.342 1.00 70.30 H new ATOM 0 HG LEU A 222 -1.526 1.664 -4.218 1.00 73.12 H new ATOM 0 HD11 LEU A 222 0.675 0.667 -3.713 1.00 43.22 H new ATOM 0 HD12 LEU A 222 -0.100 1.333 -2.256 1.00 43.22 H new ATOM 0 HD13 LEU A 222 -0.095 -0.424 -2.537 1.00 43.22 H new ATOM 0 HD21 LEU A 222 -0.699 -0.227 -5.568 1.00 51.15 H new ATOM 0 HD22 LEU A 222 -1.532 -1.362 -4.480 1.00 51.15 H new ATOM 0 HD23 LEU A 222 -2.475 -0.216 -5.462 1.00 51.15 H new ATOM 1236 N HIS A 223 -5.488 -0.848 -2.168 1.00 71.15 N ATOM 1237 CA HIS A 223 -6.480 -1.213 -1.146 1.00 0.31 C ATOM 1238 C HIS A 223 -5.850 -2.088 -0.049 1.00 11.34 C ATOM 1239 O HIS A 223 -5.115 -3.031 -0.345 1.00 12.12 O ATOM 1240 CB HIS A 223 -7.658 -1.959 -1.785 1.00 32.50 C ATOM 1241 CG HIS A 223 -8.420 -1.156 -2.796 1.00 75.43 C ATOM 1242 ND1 HIS A 223 -9.726 -0.759 -2.609 1.00 12.33 N ATOM 1243 CD2 HIS A 223 -8.065 -0.697 -4.021 1.00 10.05 C ATOM 1244 CE1 HIS A 223 -10.139 -0.095 -3.669 1.00 72.24 C ATOM 1245 NE2 HIS A 223 -9.153 -0.044 -4.538 1.00 63.05 N ATOM 0 H HIS A 223 -5.103 -1.642 -2.679 1.00 71.15 H new ATOM 0 HA HIS A 223 -6.841 -0.291 -0.691 1.00 0.31 H new ATOM 0 HB2 HIS A 223 -7.283 -2.864 -2.264 1.00 32.50 H new ATOM 0 HB3 HIS A 223 -8.343 -2.275 -0.998 1.00 32.50 H new ATOM 0 HD2 HIS A 223 -7.105 -0.822 -4.500 1.00 10.05 H new ATOM 0 HE1 HIS A 223 -11.121 0.335 -3.802 1.00 72.24 H new ATOM 0 HE2 HIS A 223 -9.192 0.409 -5.451 1.00 63.05 H new ATOM 1254 N VAL A 224 -6.140 -1.772 1.215 1.00 71.13 N ATOM 1255 CA VAL A 224 -5.601 -2.532 2.352 1.00 55.10 C ATOM 1256 C VAL A 224 -6.713 -3.236 3.151 1.00 32.51 C ATOM 1257 O VAL A 224 -7.584 -2.586 3.736 1.00 15.30 O ATOM 1258 CB VAL A 224 -4.792 -1.615 3.306 1.00 25.33 C ATOM 1259 CG1 VAL A 224 -4.236 -2.406 4.489 1.00 34.14 C ATOM 1260 CG2 VAL A 224 -3.666 -0.914 2.550 1.00 50.14 C ATOM 0 H VAL A 224 -6.745 -0.995 1.480 1.00 71.13 H new ATOM 0 HA VAL A 224 -4.940 -3.290 1.932 1.00 55.10 H new ATOM 0 HB VAL A 224 -5.469 -0.856 3.698 1.00 25.33 H new ATOM 0 HG11 VAL A 224 -3.673 -1.738 5.141 1.00 34.14 H new ATOM 0 HG12 VAL A 224 -5.059 -2.851 5.048 1.00 34.14 H new ATOM 0 HG13 VAL A 224 -3.578 -3.194 4.123 1.00 34.14 H new ATOM 0 HG21 VAL A 224 -3.110 -0.275 3.236 1.00 50.14 H new ATOM 0 HG22 VAL A 224 -2.995 -1.660 2.124 1.00 50.14 H new ATOM 0 HG23 VAL A 224 -4.088 -0.306 1.750 1.00 50.14 H new ATOM 1270 N GLU A 225 -6.678 -4.570 3.168 1.00 70.54 N ATOM 1271 CA GLU A 225 -7.627 -5.378 3.956 1.00 43.51 C ATOM 1272 C GLU A 225 -6.966 -5.912 5.235 1.00 43.34 C ATOM 1273 O GLU A 225 -5.824 -6.372 5.201 1.00 14.11 O ATOM 1274 CB GLU A 225 -8.126 -6.568 3.124 1.00 44.24 C ATOM 1275 CG GLU A 225 -8.918 -6.183 1.880 1.00 21.34 C ATOM 1276 CD GLU A 225 -10.282 -5.588 2.196 1.00 62.52 C ATOM 1277 OE1 GLU A 225 -11.085 -6.261 2.880 1.00 43.12 O ATOM 1278 OE2 GLU A 225 -10.569 -4.455 1.745 1.00 21.31 O ATOM 0 H GLU A 225 -6.000 -5.122 2.643 1.00 70.54 H new ATOM 0 HA GLU A 225 -8.464 -4.735 4.228 1.00 43.51 H new ATOM 0 HB2 GLU A 225 -7.268 -7.168 2.821 1.00 44.24 H new ATOM 0 HB3 GLU A 225 -8.751 -7.200 3.755 1.00 44.24 H new ATOM 0 HG2 GLU A 225 -8.341 -5.464 1.299 1.00 21.34 H new ATOM 0 HG3 GLU A 225 -9.050 -7.066 1.254 1.00 21.34 H new ATOM 1285 N VAL A 226 -7.681 -5.862 6.357 1.00 1.33 N ATOM 1286 CA VAL A 226 -7.169 -6.418 7.614 1.00 12.11 C ATOM 1287 C VAL A 226 -7.280 -7.954 7.619 1.00 42.53 C ATOM 1288 O VAL A 226 -8.378 -8.508 7.703 1.00 62.34 O ATOM 1289 CB VAL A 226 -7.922 -5.844 8.845 1.00 43.13 C ATOM 1290 CG1 VAL A 226 -7.358 -6.418 10.147 1.00 3.22 C ATOM 1291 CG2 VAL A 226 -7.864 -4.314 8.853 1.00 70.11 C ATOM 0 H VAL A 226 -8.610 -5.446 6.425 1.00 1.33 H new ATOM 0 HA VAL A 226 -6.120 -6.130 7.685 1.00 12.11 H new ATOM 0 HB VAL A 226 -8.968 -6.143 8.771 1.00 43.13 H new ATOM 0 HG11 VAL A 226 -7.902 -6.001 10.994 1.00 3.22 H new ATOM 0 HG12 VAL A 226 -7.468 -7.502 10.144 1.00 3.22 H new ATOM 0 HG13 VAL A 226 -6.302 -6.160 10.231 1.00 3.22 H new ATOM 0 HG21 VAL A 226 -8.398 -3.934 9.724 1.00 70.11 H new ATOM 0 HG22 VAL A 226 -6.824 -3.990 8.895 1.00 70.11 H new ATOM 0 HG23 VAL A 226 -8.328 -3.928 7.946 1.00 70.11 H new ATOM 1301 N LEU A 227 -6.138 -8.635 7.520 1.00 14.42 N ATOM 1302 CA LEU A 227 -6.105 -10.103 7.495 1.00 31.02 C ATOM 1303 C LEU A 227 -6.629 -10.700 8.805 1.00 3.40 C ATOM 1304 O LEU A 227 -7.657 -11.384 8.828 1.00 12.20 O ATOM 1305 CB LEU A 227 -4.674 -10.599 7.234 1.00 12.32 C ATOM 1306 CG LEU A 227 -4.099 -10.237 5.859 1.00 41.42 C ATOM 1307 CD1 LEU A 227 -2.641 -10.679 5.749 1.00 32.31 C ATOM 1308 CD2 LEU A 227 -4.936 -10.864 4.747 1.00 3.05 C ATOM 0 H LEU A 227 -5.220 -8.195 7.456 1.00 14.42 H new ATOM 0 HA LEU A 227 -6.757 -10.434 6.687 1.00 31.02 H new ATOM 0 HB2 LEU A 227 -4.019 -10.190 8.003 1.00 12.32 H new ATOM 0 HB3 LEU A 227 -4.657 -11.683 7.344 1.00 12.32 H new ATOM 0 HG LEU A 227 -4.135 -9.153 5.748 1.00 41.42 H new ATOM 0 HD11 LEU A 227 -2.253 -10.412 4.766 1.00 32.31 H new ATOM 0 HD12 LEU A 227 -2.051 -10.182 6.519 1.00 32.31 H new ATOM 0 HD13 LEU A 227 -2.577 -11.759 5.884 1.00 32.31 H new ATOM 0 HD21 LEU A 227 -4.513 -10.597 3.779 1.00 3.05 H new ATOM 0 HD22 LEU A 227 -4.933 -11.948 4.857 1.00 3.05 H new ATOM 0 HD23 LEU A 227 -5.960 -10.495 4.810 1.00 3.05 H new