USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 25:sc= 0.309 USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 134 LYS NZ :NH3+ 165:sc= -0.0475 (180deg=-0.347) USER MOD Single : A 136 GLN : amide:sc= -0.0389 K(o=-0.039,f=-0.6) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 142 GLN : amide:sc= 0.184 X(o=0.18,f=-0.1) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 151 MET CE :methyl -164:sc= 0 (180deg=-0.0417) USER MOD Single : A 152 LYS NZ :NH3+ -146:sc= -1.58 (180deg=-3.85!) USER MOD Single : A 155 LYS NZ :NH3+ -165:sc= -0.0647 (180deg=-0.389) USER MOD Single : A 156 SER OG : rot 71:sc= 0.0111 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot 100:sc= 1.23 USER MOD Single : A 169 SER OG : rot -30:sc= 0.786 USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0.004) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc=-0.00389 X(o=-0.0039,f=0) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.88) USER MOD Single : A 184 THR OG1 : rot 9:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.098 8.648 3.957 1.00 0.00 N ATOM 129 CA ALA A 126 -4.659 8.024 2.715 1.00 0.00 C ATOM 130 C ALA A 126 -3.390 8.687 2.191 1.00 0.00 C ATOM 131 O ALA A 126 -2.509 8.023 1.645 1.00 0.00 O ATOM 132 CB ALA A 126 -5.760 8.091 1.669 1.00 0.00 C ATOM 0 HA ALA A 126 -4.436 6.977 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.416 7.621 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.643 7.567 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.012 9.133 1.472 1.00 0.00 H new ATOM 138 N LEU A 127 -3.306 10.002 2.361 1.00 0.00 N ATOM 139 CA LEU A 127 -2.145 10.761 1.912 1.00 0.00 C ATOM 140 C LEU A 127 -1.050 10.740 2.973 1.00 0.00 C ATOM 141 O LEU A 127 -0.080 11.494 2.898 1.00 0.00 O ATOM 142 CB LEU A 127 -2.546 12.206 1.599 1.00 0.00 C ATOM 143 CG LEU A 127 -2.028 12.759 0.266 1.00 0.00 C ATOM 144 CD1 LEU A 127 -0.506 12.782 0.244 1.00 0.00 C ATOM 145 CD2 LEU A 127 -2.565 11.938 -0.897 1.00 0.00 C ATOM 0 H LEU A 127 -4.030 10.565 2.807 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.759 10.297 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.634 12.272 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -2.186 12.847 2.403 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.386 13.783 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.162 13.178 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.140 13.415 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.125 11.769 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.187 12.345 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.239 10.903 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.654 11.977 -0.898 1.00 0.00 H new ATOM 157 N SER A 128 -1.214 9.869 3.964 1.00 0.00 N ATOM 158 CA SER A 128 -0.243 9.746 5.043 1.00 0.00 C ATOM 159 C SER A 128 0.759 8.633 4.753 1.00 0.00 C ATOM 160 O SER A 128 1.944 8.891 4.547 1.00 0.00 O ATOM 161 CB SER A 128 -0.956 9.472 6.369 1.00 0.00 C ATOM 162 OG SER A 128 -0.026 9.322 7.428 1.00 0.00 O ATOM 0 H SER A 128 -2.012 9.238 4.041 1.00 0.00 H new ATOM 0 HA SER A 128 0.301 10.688 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 128 -1.639 10.291 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.560 8.569 6.281 1.00 0.00 H new ATOM 0 HG SER A 128 -0.507 9.150 8.264 1.00 0.00 H new ATOM 168 N TYR A 129 0.274 7.395 4.737 1.00 0.00 N ATOM 169 CA TYR A 129 1.129 6.243 4.475 1.00 0.00 C ATOM 170 C TYR A 129 1.671 6.269 3.048 1.00 0.00 C ATOM 171 O TYR A 129 2.875 6.134 2.832 1.00 0.00 O ATOM 172 CB TYR A 129 0.360 4.942 4.716 1.00 0.00 C ATOM 173 CG TYR A 129 1.150 3.701 4.365 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.215 3.288 5.154 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.834 2.948 3.241 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.945 2.159 4.834 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.557 1.816 2.916 1.00 0.00 C ATOM 178 CZ TYR A 129 2.611 1.427 3.714 1.00 0.00 C ATOM 179 OH TYR A 129 3.335 0.301 3.390 1.00 0.00 O ATOM 0 H TYR A 129 -0.706 7.164 4.902 1.00 0.00 H new ATOM 0 HA TYR A 129 1.973 6.293 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 129 0.066 4.892 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.558 4.957 4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.477 3.859 6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 129 0.011 3.252 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.772 1.852 5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.297 1.239 2.041 1.00 0.00 H new ATOM 0 HH TYR A 129 3.751 -0.064 4.199 1.00 0.00 H new ATOM 189 N LEU A 130 0.774 6.439 2.080 1.00 0.00 N ATOM 190 CA LEU A 130 1.160 6.476 0.672 1.00 0.00 C ATOM 191 C LEU A 130 2.293 7.470 0.436 1.00 0.00 C ATOM 192 O LEU A 130 3.237 7.186 -0.303 1.00 0.00 O ATOM 193 CB LEU A 130 -0.044 6.841 -0.201 1.00 0.00 C ATOM 194 CG LEU A 130 -1.203 5.840 -0.166 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.364 6.342 -1.010 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.743 4.472 -0.648 1.00 0.00 C ATOM 0 H LEU A 130 -0.226 6.553 2.245 1.00 0.00 H new ATOM 0 HA LEU A 130 1.514 5.482 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.417 7.816 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.294 6.946 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.543 5.743 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.179 5.619 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.710 7.299 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -2.036 6.468 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.580 3.775 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.376 4.551 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.057 4.109 -0.003 1.00 0.00 H new ATOM 208 N ASP A 131 2.195 8.634 1.068 1.00 0.00 N ATOM 209 CA ASP A 131 3.215 9.667 0.926 1.00 0.00 C ATOM 210 C ASP A 131 4.564 9.165 1.434 1.00 0.00 C ATOM 211 O ASP A 131 5.610 9.484 0.866 1.00 0.00 O ATOM 212 CB ASP A 131 2.801 10.932 1.682 1.00 0.00 C ATOM 213 CG ASP A 131 3.882 11.995 1.668 1.00 0.00 C ATOM 214 OD1 ASP A 131 3.913 12.799 0.712 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.698 12.026 2.614 1.00 0.00 O ATOM 0 H ASP A 131 1.421 8.886 1.683 1.00 0.00 H new ATOM 0 HA ASP A 131 3.313 9.908 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.892 11.337 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.563 10.674 2.714 1.00 0.00 H new ATOM 220 N GLN A 132 4.532 8.376 2.503 1.00 0.00 N ATOM 221 CA GLN A 132 5.752 7.825 3.082 1.00 0.00 C ATOM 222 C GLN A 132 6.383 6.810 2.138 1.00 0.00 C ATOM 223 O GLN A 132 7.606 6.740 2.013 1.00 0.00 O ATOM 224 CB GLN A 132 5.454 7.169 4.431 1.00 0.00 C ATOM 225 CG GLN A 132 4.963 8.145 5.488 1.00 0.00 C ATOM 226 CD GLN A 132 4.644 7.466 6.807 1.00 0.00 C ATOM 227 OE1 GLN A 132 4.260 6.297 6.841 1.00 0.00 O ATOM 228 NE2 GLN A 132 4.802 8.201 7.903 1.00 0.00 N ATOM 0 H GLN A 132 3.675 8.104 2.986 1.00 0.00 H new ATOM 0 HA GLN A 132 6.456 8.643 3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.703 6.392 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.357 6.678 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 132 5.722 8.910 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 132 4.072 8.654 5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 132 5.123 9.166 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.603 7.800 8.819 1.00 0.00 H new ATOM 237 N VAL A 133 5.539 6.023 1.476 1.00 0.00 N ATOM 238 CA VAL A 133 6.014 5.016 0.535 1.00 0.00 C ATOM 239 C VAL A 133 6.767 5.673 -0.614 1.00 0.00 C ATOM 240 O VAL A 133 7.874 5.263 -0.962 1.00 0.00 O ATOM 241 CB VAL A 133 4.850 4.183 -0.036 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.367 3.120 -0.994 1.00 0.00 C ATOM 243 CG2 VAL A 133 4.044 3.551 1.088 1.00 0.00 C ATOM 0 H VAL A 133 4.525 6.064 1.574 1.00 0.00 H new ATOM 0 HA VAL A 133 6.683 4.352 1.082 1.00 0.00 H new ATOM 0 HB VAL A 133 4.193 4.850 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.528 2.544 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.894 3.599 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.049 2.454 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.226 2.967 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.690 2.899 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.637 4.334 1.729 1.00 0.00 H new ATOM 253 N LYS A 134 6.156 6.700 -1.194 1.00 0.00 N ATOM 254 CA LYS A 134 6.765 7.429 -2.299 1.00 0.00 C ATOM 255 C LYS A 134 7.951 8.252 -1.806 1.00 0.00 C ATOM 256 O LYS A 134 8.862 8.569 -2.572 1.00 0.00 O ATOM 257 CB LYS A 134 5.728 8.339 -2.964 1.00 0.00 C ATOM 258 CG LYS A 134 6.244 9.061 -4.198 1.00 0.00 C ATOM 259 CD LYS A 134 5.143 9.863 -4.872 1.00 0.00 C ATOM 260 CE LYS A 134 5.647 10.563 -6.123 1.00 0.00 C ATOM 261 NZ LYS A 134 6.201 9.601 -7.116 1.00 0.00 N ATOM 0 H LYS A 134 5.238 7.047 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 134 7.126 6.710 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.859 7.742 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.388 9.078 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.061 9.726 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.651 8.336 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 134 4.317 9.201 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 134 4.751 10.602 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 134 4.831 11.124 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.416 11.285 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.297 10.071 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.134 9.271 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.559 8.788 -7.207 1.00 0.00 H new ATOM 275 N LEU A 135 7.931 8.593 -0.520 1.00 0.00 N ATOM 276 CA LEU A 135 9.002 9.378 0.084 1.00 0.00 C ATOM 277 C LEU A 135 10.305 8.582 0.130 1.00 0.00 C ATOM 278 O LEU A 135 11.357 9.076 -0.276 1.00 0.00 O ATOM 279 CB LEU A 135 8.606 9.815 1.498 1.00 0.00 C ATOM 280 CG LEU A 135 9.658 10.638 2.245 1.00 0.00 C ATOM 281 CD1 LEU A 135 9.862 11.985 1.569 1.00 0.00 C ATOM 282 CD2 LEU A 135 9.253 10.825 3.699 1.00 0.00 C ATOM 0 H LEU A 135 7.183 8.337 0.124 1.00 0.00 H new ATOM 0 HA LEU A 135 9.162 10.263 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.688 10.399 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.379 8.925 2.086 1.00 0.00 H new ATOM 0 HG LEU A 135 10.603 10.095 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.613 12.556 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.198 11.830 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.921 12.536 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.012 11.412 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.297 11.346 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.159 9.851 4.179 1.00 0.00 H new ATOM 294 N GLN A 136 10.226 7.350 0.625 1.00 0.00 N ATOM 295 CA GLN A 136 11.401 6.490 0.728 1.00 0.00 C ATOM 296 C GLN A 136 11.842 5.993 -0.645 1.00 0.00 C ATOM 297 O GLN A 136 13.038 5.902 -0.927 1.00 0.00 O ATOM 298 CB GLN A 136 11.107 5.300 1.643 1.00 0.00 C ATOM 299 CG GLN A 136 10.652 5.703 3.035 1.00 0.00 C ATOM 300 CD GLN A 136 11.688 6.528 3.774 1.00 0.00 C ATOM 301 OE1 GLN A 136 12.891 6.368 3.565 1.00 0.00 O ATOM 302 NE2 GLN A 136 11.226 7.419 4.644 1.00 0.00 N ATOM 0 H GLN A 136 9.362 6.925 0.961 1.00 0.00 H new ATOM 0 HA GLN A 136 12.212 7.080 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.337 4.680 1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 136 12.004 4.686 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 136 9.726 6.273 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 136 10.428 4.807 3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 136 10.221 7.519 4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 136 11.876 8.003 5.170 1.00 0.00 H new ATOM 311 N PHE A 137 10.872 5.673 -1.495 1.00 0.00 N ATOM 312 CA PHE A 137 11.165 5.182 -2.838 1.00 0.00 C ATOM 313 C PHE A 137 10.777 6.213 -3.893 1.00 0.00 C ATOM 314 O PHE A 137 9.599 6.378 -4.211 1.00 0.00 O ATOM 315 CB PHE A 137 10.431 3.865 -3.095 1.00 0.00 C ATOM 316 CG PHE A 137 10.753 2.794 -2.092 1.00 0.00 C ATOM 317 CD1 PHE A 137 10.027 2.685 -0.917 1.00 0.00 C ATOM 318 CD2 PHE A 137 11.784 1.898 -2.323 1.00 0.00 C ATOM 319 CE1 PHE A 137 10.322 1.703 0.009 1.00 0.00 C ATOM 320 CE2 PHE A 137 12.084 0.912 -1.401 1.00 0.00 C ATOM 321 CZ PHE A 137 11.352 0.815 -0.234 1.00 0.00 C ATOM 0 H PHE A 137 9.878 5.744 -1.279 1.00 0.00 H new ATOM 0 HA PHE A 137 12.239 5.008 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 137 9.357 4.049 -3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 137 10.684 3.506 -4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 137 9.220 3.376 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 137 12.360 1.970 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 137 9.748 1.630 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 137 12.890 0.219 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.584 0.046 0.488 1.00 0.00 H new ATOM 331 N GLY A 138 11.777 6.905 -4.431 1.00 0.00 N ATOM 332 CA GLY A 138 11.524 7.912 -5.445 1.00 0.00 C ATOM 333 C GLY A 138 12.286 7.651 -6.728 1.00 0.00 C ATOM 334 O GLY A 138 11.863 8.072 -7.805 1.00 0.00 O ATOM 0 H GLY A 138 12.759 6.786 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.456 7.944 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.800 8.892 -5.056 1.00 0.00 H new ATOM 338 N SER A 139 13.412 6.952 -6.617 1.00 0.00 N ATOM 339 CA SER A 139 14.233 6.635 -7.780 1.00 0.00 C ATOM 340 C SER A 139 13.793 5.319 -8.414 1.00 0.00 C ATOM 341 O SER A 139 14.364 4.877 -9.411 1.00 0.00 O ATOM 342 CB SER A 139 15.709 6.554 -7.383 1.00 0.00 C ATOM 343 OG SER A 139 15.923 5.540 -6.417 1.00 0.00 O ATOM 0 H SER A 139 13.776 6.595 -5.734 1.00 0.00 H new ATOM 0 HA SER A 139 14.104 7.432 -8.512 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.316 6.353 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 139 16.035 7.515 -6.984 1.00 0.00 H new ATOM 0 HG SER A 139 16.874 5.508 -6.182 1.00 0.00 H new ATOM 349 N GLN A 140 12.775 4.697 -7.827 1.00 0.00 N ATOM 350 CA GLN A 140 12.256 3.432 -8.337 1.00 0.00 C ATOM 351 C GLN A 140 10.730 3.470 -8.443 1.00 0.00 C ATOM 352 O GLN A 140 10.029 3.041 -7.527 1.00 0.00 O ATOM 353 CB GLN A 140 12.687 2.279 -7.430 1.00 0.00 C ATOM 354 CG GLN A 140 14.192 2.073 -7.377 1.00 0.00 C ATOM 355 CD GLN A 140 14.595 0.946 -6.445 1.00 0.00 C ATOM 356 OE1 GLN A 140 13.924 0.681 -5.448 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.694 0.275 -6.769 1.00 0.00 N ATOM 0 H GLN A 140 12.294 5.048 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 140 12.667 3.275 -9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.319 2.465 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.215 1.360 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.561 1.859 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.670 2.997 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 140 16.219 0.530 -7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.013 -0.495 -6.181 1.00 0.00 H new ATOM 366 N PRO A 141 10.195 3.996 -9.563 1.00 0.00 N ATOM 367 CA PRO A 141 8.747 4.085 -9.781 1.00 0.00 C ATOM 368 C PRO A 141 8.103 2.715 -9.967 1.00 0.00 C ATOM 369 O PRO A 141 6.881 2.603 -10.065 1.00 0.00 O ATOM 370 CB PRO A 141 8.615 4.910 -11.070 1.00 0.00 C ATOM 371 CG PRO A 141 9.962 5.506 -11.304 1.00 0.00 C ATOM 372 CD PRO A 141 10.947 4.554 -10.696 1.00 0.00 C ATOM 0 HA PRO A 141 8.242 4.530 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.313 4.282 -11.908 1.00 0.00 H new ATOM 0 HB3 PRO A 141 7.856 5.685 -10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 141 10.151 5.636 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.038 6.492 -10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.251 3.780 -11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.854 5.063 -10.370 1.00 0.00 H new ATOM 380 N GLN A 142 8.930 1.677 -10.017 1.00 0.00 N ATOM 381 CA GLN A 142 8.437 0.317 -10.194 1.00 0.00 C ATOM 382 C GLN A 142 7.789 -0.196 -8.913 1.00 0.00 C ATOM 383 O GLN A 142 6.806 -0.935 -8.955 1.00 0.00 O ATOM 384 CB GLN A 142 9.579 -0.612 -10.613 1.00 0.00 C ATOM 385 CG GLN A 142 9.131 -2.034 -10.911 1.00 0.00 C ATOM 386 CD GLN A 142 8.132 -2.105 -12.051 1.00 0.00 C ATOM 387 OE1 GLN A 142 8.510 -2.222 -13.216 1.00 0.00 O ATOM 388 NE2 GLN A 142 6.847 -2.041 -11.717 1.00 0.00 N ATOM 0 H GLN A 142 9.944 1.751 -9.937 1.00 0.00 H new ATOM 0 HA GLN A 142 7.683 0.329 -10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 142 10.065 -0.200 -11.498 1.00 0.00 H new ATOM 0 HB3 GLN A 142 10.327 -0.635 -9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 142 10.002 -2.641 -11.158 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.685 -2.466 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 142 6.579 -1.944 -10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 142 6.129 -2.089 -12.440 1.00 0.00 H new ATOM 397 N VAL A 143 8.344 0.205 -7.774 1.00 0.00 N ATOM 398 CA VAL A 143 7.820 -0.215 -6.479 1.00 0.00 C ATOM 399 C VAL A 143 6.481 0.454 -6.186 1.00 0.00 C ATOM 400 O VAL A 143 5.542 -0.192 -5.721 1.00 0.00 O ATOM 401 CB VAL A 143 8.804 0.113 -5.340 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.271 -0.393 -4.008 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.175 -0.477 -5.633 1.00 0.00 C ATOM 0 H VAL A 143 9.156 0.820 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 143 7.682 -1.295 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 143 8.906 1.196 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.981 -0.151 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.314 0.083 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.136 -1.474 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.857 -0.235 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.092 -1.560 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.560 -0.059 -6.564 1.00 0.00 H new ATOM 413 N TYR A 144 6.401 1.752 -6.462 1.00 0.00 N ATOM 414 CA TYR A 144 5.179 2.511 -6.227 1.00 0.00 C ATOM 415 C TYR A 144 4.061 2.042 -7.154 1.00 0.00 C ATOM 416 O TYR A 144 2.922 1.849 -6.724 1.00 0.00 O ATOM 417 CB TYR A 144 5.438 4.005 -6.428 1.00 0.00 C ATOM 418 CG TYR A 144 4.273 4.886 -6.037 1.00 0.00 C ATOM 419 CD1 TYR A 144 3.894 5.017 -4.707 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.555 5.590 -6.995 1.00 0.00 C ATOM 421 CE1 TYR A 144 2.833 5.823 -4.344 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.492 6.399 -6.639 1.00 0.00 C ATOM 423 CZ TYR A 144 2.135 6.510 -5.313 1.00 0.00 C ATOM 424 OH TYR A 144 1.080 7.315 -4.954 1.00 0.00 O ATOM 0 H TYR A 144 7.169 2.300 -6.849 1.00 0.00 H new ATOM 0 HA TYR A 144 4.864 2.341 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.312 4.294 -5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.681 4.184 -7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.438 4.480 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 144 3.832 5.504 -8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 144 2.552 5.914 -3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 144 1.945 6.941 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 144 0.696 7.728 -5.755 1.00 0.00 H new ATOM 434 N ASN A 145 4.396 1.858 -8.428 1.00 0.00 N ATOM 435 CA ASN A 145 3.423 1.408 -9.417 1.00 0.00 C ATOM 436 C ASN A 145 2.901 0.018 -9.066 1.00 0.00 C ATOM 437 O ASN A 145 1.704 -0.252 -9.175 1.00 0.00 O ATOM 438 CB ASN A 145 4.051 1.395 -10.812 1.00 0.00 C ATOM 439 CG ASN A 145 3.088 0.901 -11.874 1.00 0.00 C ATOM 440 OD1 ASN A 145 1.877 1.099 -11.773 1.00 0.00 O ATOM 441 ND2 ASN A 145 3.623 0.250 -12.900 1.00 0.00 N ATOM 0 H ASN A 145 5.333 2.014 -8.799 1.00 0.00 H new ATOM 0 HA ASN A 145 2.585 2.105 -9.413 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.384 2.401 -11.067 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.936 0.759 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 145 3.025 -0.108 -13.644 1.00 0.00 H new ATOM 0 HD22 ASN A 145 4.632 0.108 -12.944 1.00 0.00 H new ATOM 448 N ASP A 146 3.808 -0.859 -8.645 1.00 0.00 N ATOM 449 CA ASP A 146 3.440 -2.221 -8.274 1.00 0.00 C ATOM 450 C ASP A 146 2.485 -2.212 -7.088 1.00 0.00 C ATOM 451 O ASP A 146 1.506 -2.956 -7.057 1.00 0.00 O ATOM 452 CB ASP A 146 4.689 -3.034 -7.931 1.00 0.00 C ATOM 453 CG ASP A 146 4.370 -4.485 -7.627 1.00 0.00 C ATOM 454 OD1 ASP A 146 4.292 -5.289 -8.580 1.00 0.00 O ATOM 455 OD2 ASP A 146 4.200 -4.818 -6.435 1.00 0.00 O ATOM 0 H ASP A 146 4.802 -0.651 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 146 2.939 -2.684 -9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.390 -2.986 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.185 -2.586 -7.070 1.00 0.00 H new ATOM 460 N PHE A 147 2.784 -1.361 -6.112 1.00 0.00 N ATOM 461 CA PHE A 147 1.956 -1.240 -4.919 1.00 0.00 C ATOM 462 C PHE A 147 0.540 -0.805 -5.284 1.00 0.00 C ATOM 463 O PHE A 147 -0.437 -1.324 -4.744 1.00 0.00 O ATOM 464 CB PHE A 147 2.578 -0.237 -3.944 1.00 0.00 C ATOM 465 CG PHE A 147 1.814 -0.090 -2.658 1.00 0.00 C ATOM 466 CD1 PHE A 147 2.079 -0.922 -1.582 1.00 0.00 C ATOM 467 CD2 PHE A 147 0.834 0.880 -2.524 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.380 -0.790 -0.398 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.132 1.018 -1.341 1.00 0.00 C ATOM 470 CZ PHE A 147 0.405 0.182 -0.277 1.00 0.00 C ATOM 0 H PHE A 147 3.596 -0.744 -6.125 1.00 0.00 H new ATOM 0 HA PHE A 147 1.903 -2.217 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.597 -0.549 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.643 0.736 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.841 -1.682 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.616 1.536 -3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.595 -1.446 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.629 1.779 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.142 0.287 0.648 1.00 0.00 H new ATOM 480 N LEU A 148 0.436 0.154 -6.201 1.00 0.00 N ATOM 481 CA LEU A 148 -0.864 0.655 -6.636 1.00 0.00 C ATOM 482 C LEU A 148 -1.676 -0.447 -7.305 1.00 0.00 C ATOM 483 O LEU A 148 -2.869 -0.596 -7.043 1.00 0.00 O ATOM 484 CB LEU A 148 -0.692 1.832 -7.598 1.00 0.00 C ATOM 485 CG LEU A 148 -0.176 3.125 -6.962 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.038 4.192 -8.026 1.00 0.00 C ATOM 487 CD2 LEU A 148 -1.146 3.622 -5.901 1.00 0.00 C ATOM 0 H LEU A 148 1.234 0.598 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.404 0.996 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.004 1.536 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.652 2.037 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 148 0.781 2.915 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.405 5.105 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.769 3.839 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.906 4.397 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.763 4.542 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -2.117 3.816 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -1.255 2.865 -5.124 1.00 0.00 H new ATOM 499 N ASP A 149 -1.025 -1.216 -8.172 1.00 0.00 N ATOM 500 CA ASP A 149 -1.687 -2.305 -8.881 1.00 0.00 C ATOM 501 C ASP A 149 -2.296 -3.305 -7.901 1.00 0.00 C ATOM 502 O ASP A 149 -3.490 -3.595 -7.956 1.00 0.00 O ATOM 503 CB ASP A 149 -0.694 -3.016 -9.803 1.00 0.00 C ATOM 504 CG ASP A 149 -1.310 -4.205 -10.509 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.988 -4.001 -11.538 1.00 0.00 O ATOM 506 OD2 ASP A 149 -1.118 -5.344 -10.032 1.00 0.00 O ATOM 0 H ASP A 149 -0.037 -1.105 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.491 -1.879 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.322 -2.310 -10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 149 0.165 -3.348 -9.220 1.00 0.00 H new ATOM 511 N ILE A 150 -1.463 -3.821 -7.003 1.00 0.00 N ATOM 512 CA ILE A 150 -1.908 -4.792 -6.010 1.00 0.00 C ATOM 513 C ILE A 150 -3.049 -4.240 -5.159 1.00 0.00 C ATOM 514 O ILE A 150 -4.109 -4.862 -5.042 1.00 0.00 O ATOM 515 CB ILE A 150 -0.749 -5.211 -5.085 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.401 -5.799 -5.908 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.234 -6.212 -4.045 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.651 -6.070 -5.100 1.00 0.00 C ATOM 0 H ILE A 150 -0.473 -3.582 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.265 -5.663 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.382 -4.327 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.068 -6.729 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.645 -5.112 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.403 -6.498 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.022 -5.759 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.625 -7.097 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.421 -6.485 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 150 2.010 -5.139 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.424 -6.781 -4.306 1.00 0.00 H new ATOM 530 N MET A 151 -2.826 -3.069 -4.569 1.00 0.00 N ATOM 531 CA MET A 151 -3.827 -2.437 -3.719 1.00 0.00 C ATOM 532 C MET A 151 -5.155 -2.276 -4.456 1.00 0.00 C ATOM 533 O MET A 151 -6.218 -2.545 -3.897 1.00 0.00 O ATOM 534 CB MET A 151 -3.327 -1.077 -3.229 1.00 0.00 C ATOM 535 CG MET A 151 -4.112 -0.537 -2.044 1.00 0.00 C ATOM 536 SD MET A 151 -4.054 -1.641 -0.619 1.00 0.00 S ATOM 537 CE MET A 151 -5.107 -0.769 0.538 1.00 0.00 C ATOM 0 H MET A 151 -1.960 -2.539 -4.665 1.00 0.00 H new ATOM 0 HA MET A 151 -3.994 -3.085 -2.858 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.277 -1.163 -2.951 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.382 -0.361 -4.049 1.00 0.00 H new ATOM 0 HG2 MET A 151 -3.713 0.437 -1.762 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.150 -0.383 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.949 -1.163 1.542 1.00 0.00 H new ATOM 0 HE2 MET A 151 -4.863 0.293 0.522 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.151 -0.906 0.255 1.00 0.00 H new ATOM 547 N LYS A 152 -5.090 -1.840 -5.712 1.00 0.00 N ATOM 548 CA LYS A 152 -6.293 -1.654 -6.517 1.00 0.00 C ATOM 549 C LYS A 152 -7.059 -2.965 -6.650 1.00 0.00 C ATOM 550 O LYS A 152 -8.284 -2.994 -6.525 1.00 0.00 O ATOM 551 CB LYS A 152 -5.941 -1.109 -7.904 1.00 0.00 C ATOM 552 CG LYS A 152 -5.607 0.374 -7.907 1.00 0.00 C ATOM 553 CD LYS A 152 -5.193 0.860 -9.290 1.00 0.00 C ATOM 554 CE LYS A 152 -6.394 1.075 -10.202 1.00 0.00 C ATOM 555 NZ LYS A 152 -7.026 -0.210 -10.612 1.00 0.00 N ATOM 0 H LYS A 152 -4.220 -1.610 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 152 -6.927 -0.928 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -5.091 -1.665 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -6.779 -1.286 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -6.473 0.942 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.801 0.566 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.638 1.793 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.519 0.133 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -7.131 1.693 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -6.080 1.623 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -7.396 -0.122 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -6.318 -0.971 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -7.806 -0.436 -9.963 1.00 0.00 H new ATOM 569 N GLU A 153 -6.331 -4.049 -6.905 1.00 0.00 N ATOM 570 CA GLU A 153 -6.946 -5.364 -7.043 1.00 0.00 C ATOM 571 C GLU A 153 -7.638 -5.767 -5.746 1.00 0.00 C ATOM 572 O GLU A 153 -8.673 -6.433 -5.761 1.00 0.00 O ATOM 573 CB GLU A 153 -5.893 -6.406 -7.422 1.00 0.00 C ATOM 574 CG GLU A 153 -5.239 -6.145 -8.770 1.00 0.00 C ATOM 575 CD GLU A 153 -4.126 -7.127 -9.076 1.00 0.00 C ATOM 576 OE1 GLU A 153 -2.977 -6.869 -8.658 1.00 0.00 O ATOM 577 OE2 GLU A 153 -4.401 -8.153 -9.733 1.00 0.00 O ATOM 0 H GLU A 153 -5.318 -4.042 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.692 -5.314 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.122 -6.429 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.358 -7.392 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.995 -6.202 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.839 -5.131 -8.786 1.00 0.00 H new ATOM 584 N PHE A 154 -7.054 -5.357 -4.622 1.00 0.00 N ATOM 585 CA PHE A 154 -7.611 -5.666 -3.310 1.00 0.00 C ATOM 586 C PHE A 154 -8.867 -4.841 -3.044 1.00 0.00 C ATOM 587 O PHE A 154 -9.800 -5.305 -2.389 1.00 0.00 O ATOM 588 CB PHE A 154 -6.573 -5.400 -2.217 1.00 0.00 C ATOM 589 CG PHE A 154 -7.083 -5.654 -0.827 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.248 -6.947 -0.359 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.401 -4.596 0.011 1.00 0.00 C ATOM 592 CE1 PHE A 154 -7.718 -7.181 0.920 1.00 0.00 C ATOM 593 CE2 PHE A 154 -7.873 -4.824 1.290 1.00 0.00 C ATOM 594 CZ PHE A 154 -8.031 -6.119 1.745 1.00 0.00 C ATOM 0 H PHE A 154 -6.194 -4.809 -4.595 1.00 0.00 H new ATOM 0 HA PHE A 154 -7.881 -6.722 -3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.701 -6.029 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.239 -4.365 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.007 -7.782 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -7.278 -3.582 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -7.840 -8.194 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -8.118 -3.991 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.399 -6.300 2.744 1.00 0.00 H new ATOM 604 N LYS A 155 -8.883 -3.615 -3.560 1.00 0.00 N ATOM 605 CA LYS A 155 -10.023 -2.722 -3.379 1.00 0.00 C ATOM 606 C LYS A 155 -11.246 -3.239 -4.129 1.00 0.00 C ATOM 607 O LYS A 155 -12.375 -2.839 -3.844 1.00 0.00 O ATOM 608 CB LYS A 155 -9.672 -1.310 -3.856 1.00 0.00 C ATOM 609 CG LYS A 155 -8.596 -0.633 -3.021 1.00 0.00 C ATOM 610 CD LYS A 155 -9.082 -0.334 -1.610 1.00 0.00 C ATOM 611 CE LYS A 155 -10.195 0.703 -1.611 1.00 0.00 C ATOM 612 NZ LYS A 155 -9.772 1.970 -2.268 1.00 0.00 N ATOM 0 H LYS A 155 -8.119 -3.217 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.262 -2.689 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -9.338 -1.359 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -10.572 -0.696 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.715 -1.273 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.290 0.295 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -9.440 -1.253 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.249 0.025 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -11.066 0.300 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -10.499 0.910 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -10.446 2.726 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -8.823 2.234 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -9.751 1.836 -3.299 1.00 0.00 H new ATOM 626 N SER A 156 -11.015 -4.131 -5.087 1.00 0.00 N ATOM 627 CA SER A 156 -12.100 -4.705 -5.878 1.00 0.00 C ATOM 628 C SER A 156 -12.616 -5.994 -5.242 1.00 0.00 C ATOM 629 O SER A 156 -13.411 -6.717 -5.843 1.00 0.00 O ATOM 630 CB SER A 156 -11.626 -4.982 -7.306 1.00 0.00 C ATOM 631 OG SER A 156 -11.181 -3.793 -7.937 1.00 0.00 O ATOM 0 H SER A 156 -10.086 -4.473 -5.335 1.00 0.00 H new ATOM 0 HA SER A 156 -12.916 -3.983 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 156 -10.817 -5.712 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 156 -12.440 -5.421 -7.884 1.00 0.00 H new ATOM 0 HG SER A 156 -10.333 -3.509 -7.538 1.00 0.00 H new ATOM 637 N GLN A 157 -12.157 -6.270 -4.022 1.00 0.00 N ATOM 638 CA GLN A 157 -12.566 -7.470 -3.295 1.00 0.00 C ATOM 639 C GLN A 157 -12.199 -8.734 -4.067 1.00 0.00 C ATOM 640 O GLN A 157 -12.714 -9.816 -3.783 1.00 0.00 O ATOM 641 CB GLN A 157 -14.073 -7.451 -3.027 1.00 0.00 C ATOM 642 CG GLN A 157 -14.528 -6.281 -2.171 1.00 0.00 C ATOM 643 CD GLN A 157 -16.027 -6.285 -1.938 1.00 0.00 C ATOM 644 OE1 GLN A 157 -16.787 -5.686 -2.699 1.00 0.00 O ATOM 645 NE2 GLN A 157 -16.460 -6.966 -0.883 1.00 0.00 N ATOM 0 H GLN A 157 -11.500 -5.677 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 157 -12.033 -7.476 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.602 -7.420 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.357 -8.381 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.013 -6.315 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -14.240 -5.347 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.794 -7.448 -0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.458 -7.007 -0.677 1.00 0.00 H new ATOM 654 N SER A 158 -11.305 -8.592 -5.039 1.00 0.00 N ATOM 655 CA SER A 158 -10.874 -9.723 -5.851 1.00 0.00 C ATOM 656 C SER A 158 -10.046 -10.709 -5.030 1.00 0.00 C ATOM 657 O SER A 158 -10.420 -11.873 -4.882 1.00 0.00 O ATOM 658 CB SER A 158 -10.063 -9.234 -7.051 1.00 0.00 C ATOM 659 OG SER A 158 -10.834 -8.374 -7.871 1.00 0.00 O ATOM 0 H SER A 158 -10.865 -7.705 -5.284 1.00 0.00 H new ATOM 0 HA SER A 158 -11.766 -10.240 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 158 -9.173 -8.709 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 158 -9.721 -10.088 -7.635 1.00 0.00 H new ATOM 0 HG SER A 158 -10.292 -8.074 -8.630 1.00 0.00 H new ATOM 665 N ILE A 159 -8.922 -10.237 -4.502 1.00 0.00 N ATOM 666 CA ILE A 159 -8.042 -11.078 -3.700 1.00 0.00 C ATOM 667 C ILE A 159 -8.447 -11.049 -2.230 1.00 0.00 C ATOM 668 O ILE A 159 -9.400 -10.366 -1.853 1.00 0.00 O ATOM 669 CB ILE A 159 -6.570 -10.638 -3.833 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.373 -9.237 -3.243 1.00 0.00 C ATOM 671 CG2 ILE A 159 -6.143 -10.667 -5.294 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.935 -8.766 -3.258 1.00 0.00 C ATOM 0 H ILE A 159 -8.599 -9.276 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 159 -8.140 -12.096 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.946 -11.335 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.984 -8.528 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.737 -9.231 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -5.102 -10.354 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -6.249 -11.679 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.772 -9.988 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.875 -7.767 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -4.321 -9.452 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.572 -8.739 -4.285 1.00 0.00 H new ATOM 684 N ASP A 160 -7.720 -11.795 -1.403 1.00 0.00 N ATOM 685 CA ASP A 160 -8.008 -11.854 0.025 1.00 0.00 C ATOM 686 C ASP A 160 -7.033 -10.988 0.818 1.00 0.00 C ATOM 687 O ASP A 160 -6.105 -10.407 0.254 1.00 0.00 O ATOM 688 CB ASP A 160 -7.944 -13.299 0.522 1.00 0.00 C ATOM 689 CG ASP A 160 -9.000 -14.178 -0.120 1.00 0.00 C ATOM 690 OD1 ASP A 160 -8.772 -14.648 -1.254 1.00 0.00 O ATOM 691 OD2 ASP A 160 -10.054 -14.397 0.513 1.00 0.00 O ATOM 0 H ASP A 160 -6.928 -12.366 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.015 -11.468 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -6.956 -13.709 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.071 -13.314 1.604 1.00 0.00 H new ATOM 696 N THR A 161 -7.252 -10.907 2.126 1.00 0.00 N ATOM 697 CA THR A 161 -6.396 -10.113 3.000 1.00 0.00 C ATOM 698 C THR A 161 -4.968 -10.671 3.053 1.00 0.00 C ATOM 699 O THR A 161 -4.005 -9.920 2.890 1.00 0.00 O ATOM 700 CB THR A 161 -6.968 -10.027 4.431 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.296 -9.486 4.396 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.087 -9.156 5.316 1.00 0.00 C ATOM 0 H THR A 161 -8.017 -11.383 2.605 1.00 0.00 H new ATOM 0 HA THR A 161 -6.365 -9.110 2.574 1.00 0.00 H new ATOM 0 HB THR A 161 -6.994 -11.034 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.653 -9.436 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.511 -9.111 6.319 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.085 -9.582 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.034 -8.150 4.899 1.00 0.00 H new ATOM 710 N PRO A 162 -4.798 -11.992 3.284 1.00 0.00 N ATOM 711 CA PRO A 162 -3.466 -12.607 3.345 1.00 0.00 C ATOM 712 C PRO A 162 -2.682 -12.403 2.052 1.00 0.00 C ATOM 713 O PRO A 162 -1.453 -12.334 2.062 1.00 0.00 O ATOM 714 CB PRO A 162 -3.756 -14.096 3.562 1.00 0.00 C ATOM 715 CG PRO A 162 -5.137 -14.144 4.118 1.00 0.00 C ATOM 716 CD PRO A 162 -5.867 -12.984 3.505 1.00 0.00 C ATOM 0 HA PRO A 162 -2.853 -12.166 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.688 -14.652 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.038 -14.542 4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.625 -15.087 3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.123 -14.067 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.356 -13.264 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.642 -12.600 4.168 1.00 0.00 H new ATOM 724 N GLY A 163 -3.405 -12.307 0.940 1.00 0.00 N ATOM 725 CA GLY A 163 -2.768 -12.116 -0.349 1.00 0.00 C ATOM 726 C GLY A 163 -2.092 -10.764 -0.475 1.00 0.00 C ATOM 727 O GLY A 163 -0.901 -10.686 -0.774 1.00 0.00 O ATOM 0 H GLY A 163 -4.423 -12.358 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.029 -12.902 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.514 -12.219 -1.137 1.00 0.00 H new ATOM 731 N VAL A 164 -2.854 -9.699 -0.246 1.00 0.00 N ATOM 732 CA VAL A 164 -2.321 -8.346 -0.340 1.00 0.00 C ATOM 733 C VAL A 164 -1.203 -8.116 0.673 1.00 0.00 C ATOM 734 O VAL A 164 -0.196 -7.483 0.361 1.00 0.00 O ATOM 735 CB VAL A 164 -3.427 -7.289 -0.136 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.118 -7.483 1.203 1.00 0.00 C ATOM 737 CG2 VAL A 164 -2.855 -5.884 -0.250 1.00 0.00 C ATOM 0 H VAL A 164 -3.841 -9.747 0.006 1.00 0.00 H new ATOM 0 HA VAL A 164 -1.913 -8.238 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.171 -7.418 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -4.894 -6.727 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.569 -8.475 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.388 -7.387 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.651 -5.154 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.087 -5.741 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.417 -5.749 -1.239 1.00 0.00 H new ATOM 747 N ILE A 165 -1.382 -8.634 1.884 1.00 0.00 N ATOM 748 CA ILE A 165 -0.378 -8.479 2.933 1.00 0.00 C ATOM 749 C ILE A 165 0.925 -9.181 2.557 1.00 0.00 C ATOM 750 O ILE A 165 2.013 -8.658 2.796 1.00 0.00 O ATOM 751 CB ILE A 165 -0.883 -9.025 4.285 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.078 -8.200 4.775 1.00 0.00 C ATOM 753 CG2 ILE A 165 0.238 -9.016 5.317 1.00 0.00 C ATOM 754 CD1 ILE A 165 -2.703 -8.727 6.049 1.00 0.00 C ATOM 0 H ILE A 165 -2.208 -9.162 2.163 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.190 -7.410 3.036 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.208 -10.056 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -1.755 -7.172 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -2.836 -8.176 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.136 -9.404 6.264 1.00 0.00 H new ATOM 0 HG22 ILE A 165 1.059 -9.642 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.594 -7.996 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.542 -8.091 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.058 -9.745 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -1.960 -8.725 6.847 1.00 0.00 H new ATOM 766 N SER A 166 0.808 -10.367 1.969 1.00 0.00 N ATOM 767 CA SER A 166 1.981 -11.137 1.564 1.00 0.00 C ATOM 768 C SER A 166 2.729 -10.450 0.423 1.00 0.00 C ATOM 769 O SER A 166 3.961 -10.431 0.400 1.00 0.00 O ATOM 770 CB SER A 166 1.569 -12.548 1.144 1.00 0.00 C ATOM 771 OG SER A 166 1.044 -13.274 2.242 1.00 0.00 O ATOM 0 H SER A 166 -0.084 -10.816 1.762 1.00 0.00 H new ATOM 0 HA SER A 166 2.652 -11.199 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.823 -12.492 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 166 2.431 -13.075 0.734 1.00 0.00 H new ATOM 0 HG SER A 166 0.065 -13.266 2.202 1.00 0.00 H new ATOM 777 N ARG A 167 1.982 -9.884 -0.519 1.00 0.00 N ATOM 778 CA ARG A 167 2.582 -9.202 -1.662 1.00 0.00 C ATOM 779 C ARG A 167 3.272 -7.909 -1.238 1.00 0.00 C ATOM 780 O ARG A 167 4.355 -7.587 -1.725 1.00 0.00 O ATOM 781 CB ARG A 167 1.520 -8.907 -2.724 1.00 0.00 C ATOM 782 CG ARG A 167 0.933 -10.159 -3.357 1.00 0.00 C ATOM 783 CD ARG A 167 -0.116 -9.819 -4.405 1.00 0.00 C ATOM 784 NE ARG A 167 -0.649 -11.015 -5.052 1.00 0.00 N ATOM 785 CZ ARG A 167 -1.322 -10.996 -6.201 1.00 0.00 C ATOM 786 NH1 ARG A 167 -1.548 -9.848 -6.825 1.00 0.00 N ATOM 787 NH2 ARG A 167 -1.771 -12.129 -6.726 1.00 0.00 N ATOM 0 H ARG A 167 0.962 -9.883 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 167 3.336 -9.865 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.716 -8.327 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.960 -8.287 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 167 1.731 -10.743 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 167 0.486 -10.783 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -0.931 -9.266 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.322 -9.164 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 167 -0.497 -11.916 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -1.206 -8.974 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -2.064 -9.839 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -1.601 -13.015 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.286 -12.114 -7.606 1.00 0.00 H new ATOM 801 N VAL A 168 2.642 -7.172 -0.328 1.00 0.00 N ATOM 802 CA VAL A 168 3.203 -5.915 0.160 1.00 0.00 C ATOM 803 C VAL A 168 4.437 -6.165 1.021 1.00 0.00 C ATOM 804 O VAL A 168 5.389 -5.385 0.995 1.00 0.00 O ATOM 805 CB VAL A 168 2.165 -5.114 0.972 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.801 -3.880 1.597 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.989 -4.722 0.091 1.00 0.00 C ATOM 0 H VAL A 168 1.744 -7.422 0.086 1.00 0.00 H new ATOM 0 HA VAL A 168 3.490 -5.331 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 168 1.797 -5.750 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 168 2.049 -3.331 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.608 -4.185 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.201 -3.239 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.266 -4.157 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.343 -4.107 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.514 -5.621 -0.303 1.00 0.00 H new ATOM 817 N SER A 169 4.413 -7.255 1.782 1.00 0.00 N ATOM 818 CA SER A 169 5.534 -7.603 2.649 1.00 0.00 C ATOM 819 C SER A 169 6.752 -7.993 1.821 1.00 0.00 C ATOM 820 O SER A 169 7.874 -7.581 2.118 1.00 0.00 O ATOM 821 CB SER A 169 5.152 -8.750 3.587 1.00 0.00 C ATOM 822 OG SER A 169 4.834 -9.922 2.860 1.00 0.00 O ATOM 0 H SER A 169 3.632 -7.911 1.816 1.00 0.00 H new ATOM 0 HA SER A 169 5.783 -6.727 3.248 1.00 0.00 H new ATOM 0 HB2 SER A 169 5.977 -8.955 4.270 1.00 0.00 H new ATOM 0 HB3 SER A 169 4.299 -8.455 4.198 1.00 0.00 H new ATOM 0 HG SER A 169 4.463 -9.675 1.987 1.00 0.00 H new ATOM 828 N GLN A 170 6.524 -8.790 0.781 1.00 0.00 N ATOM 829 CA GLN A 170 7.604 -9.233 -0.093 1.00 0.00 C ATOM 830 C GLN A 170 8.055 -8.099 -1.008 1.00 0.00 C ATOM 831 O GLN A 170 9.200 -8.073 -1.463 1.00 0.00 O ATOM 832 CB GLN A 170 7.157 -10.435 -0.928 1.00 0.00 C ATOM 833 CG GLN A 170 6.821 -11.660 -0.095 1.00 0.00 C ATOM 834 CD GLN A 170 6.379 -12.839 -0.940 1.00 0.00 C ATOM 835 OE1 GLN A 170 5.194 -13.002 -1.227 1.00 0.00 O ATOM 836 NE2 GLN A 170 7.334 -13.670 -1.341 1.00 0.00 N ATOM 0 H GLN A 170 5.602 -9.142 0.524 1.00 0.00 H new ATOM 0 HA GLN A 170 8.446 -9.532 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.283 -10.154 -1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 170 7.947 -10.691 -1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 170 7.694 -11.946 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 170 6.030 -11.408 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 170 8.304 -13.496 -1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 170 7.097 -14.482 -1.911 1.00 0.00 H new ATOM 845 N LEU A 171 7.146 -7.166 -1.275 1.00 0.00 N ATOM 846 CA LEU A 171 7.441 -6.024 -2.132 1.00 0.00 C ATOM 847 C LEU A 171 8.646 -5.247 -1.611 1.00 0.00 C ATOM 848 O LEU A 171 9.667 -5.137 -2.290 1.00 0.00 O ATOM 849 CB LEU A 171 6.224 -5.101 -2.220 1.00 0.00 C ATOM 850 CG LEU A 171 6.424 -3.833 -3.054 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.704 -4.186 -4.506 1.00 0.00 C ATOM 852 CD2 LEU A 171 5.204 -2.932 -2.947 1.00 0.00 C ATOM 0 H LEU A 171 6.195 -7.180 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 171 7.678 -6.400 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.391 -5.665 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.935 -4.810 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 171 7.287 -3.294 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.843 -3.271 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.607 -4.793 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 171 5.863 -4.747 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 171 5.361 -2.034 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.326 -3.464 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 171 5.049 -2.651 -1.905 1.00 0.00 H new ATOM 864 N PHE A 172 8.519 -4.711 -0.402 1.00 0.00 N ATOM 865 CA PHE A 172 9.600 -3.946 0.210 1.00 0.00 C ATOM 866 C PHE A 172 10.710 -4.874 0.692 1.00 0.00 C ATOM 867 O PHE A 172 11.824 -4.845 0.168 1.00 0.00 O ATOM 868 CB PHE A 172 9.068 -3.114 1.379 1.00 0.00 C ATOM 869 CG PHE A 172 7.966 -2.168 0.993 1.00 0.00 C ATOM 870 CD1 PHE A 172 8.227 -1.068 0.192 1.00 0.00 C ATOM 871 CD2 PHE A 172 6.669 -2.377 1.436 1.00 0.00 C ATOM 872 CE1 PHE A 172 7.216 -0.195 -0.163 1.00 0.00 C ATOM 873 CE2 PHE A 172 5.653 -1.507 1.085 1.00 0.00 C ATOM 874 CZ PHE A 172 5.928 -0.415 0.284 1.00 0.00 C ATOM 0 H PHE A 172 7.680 -4.792 0.173 1.00 0.00 H new ATOM 0 HA PHE A 172 10.011 -3.274 -0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 172 8.703 -3.786 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 172 9.890 -2.544 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 172 9.233 -0.891 -0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 172 6.450 -3.229 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.433 0.658 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 172 4.647 -1.681 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 172 5.136 0.266 0.008 1.00 0.00 H new ATOM 884 N LYS A 173 10.390 -5.699 1.686 1.00 0.00 N ATOM 885 CA LYS A 173 11.350 -6.644 2.247 1.00 0.00 C ATOM 886 C LYS A 173 12.628 -5.940 2.695 1.00 0.00 C ATOM 887 O LYS A 173 13.533 -5.703 1.893 1.00 0.00 O ATOM 888 CB LYS A 173 11.674 -7.727 1.218 1.00 0.00 C ATOM 889 CG LYS A 173 12.675 -8.764 1.708 1.00 0.00 C ATOM 890 CD LYS A 173 12.092 -9.630 2.815 1.00 0.00 C ATOM 891 CE LYS A 173 10.952 -10.500 2.307 1.00 0.00 C ATOM 892 NZ LYS A 173 10.403 -11.378 3.376 1.00 0.00 N ATOM 0 H LYS A 173 9.468 -5.731 2.121 1.00 0.00 H new ATOM 0 HA LYS A 173 10.900 -7.105 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 173 10.751 -8.233 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 173 12.067 -7.254 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 173 12.981 -9.396 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 173 13.571 -8.261 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 173 12.875 -10.263 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 173 11.732 -8.994 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 173 10.157 -9.865 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 173 11.306 -11.114 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 9.629 -11.954 2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 11.154 -12.003 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 10.042 -10.792 4.155 1.00 0.00 H new ATOM 906 N GLY A 174 12.695 -5.606 3.980 1.00 0.00 N ATOM 907 CA GLY A 174 13.865 -4.935 4.514 1.00 0.00 C ATOM 908 C GLY A 174 13.521 -3.636 5.219 1.00 0.00 C ATOM 909 O GLY A 174 14.369 -3.041 5.883 1.00 0.00 O ATOM 0 H GLY A 174 11.958 -5.789 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.373 -5.600 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.564 -4.730 3.703 1.00 0.00 H new ATOM 913 N HIS A 175 12.275 -3.194 5.073 1.00 0.00 N ATOM 914 CA HIS A 175 11.825 -1.958 5.703 1.00 0.00 C ATOM 915 C HIS A 175 10.641 -2.215 6.634 1.00 0.00 C ATOM 916 O HIS A 175 9.489 -2.196 6.201 1.00 0.00 O ATOM 917 CB HIS A 175 11.436 -0.930 4.638 1.00 0.00 C ATOM 918 CG HIS A 175 12.560 -0.566 3.720 1.00 0.00 C ATOM 919 ND1 HIS A 175 13.291 0.596 3.849 1.00 0.00 N ATOM 920 CD2 HIS A 175 13.076 -1.217 2.650 1.00 0.00 C ATOM 921 CE1 HIS A 175 14.208 0.645 2.898 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.098 -0.443 2.159 1.00 0.00 N ATOM 0 H HIS A 175 11.561 -3.673 4.525 1.00 0.00 H new ATOM 0 HA HIS A 175 12.650 -1.564 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.609 -1.325 4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 175 11.073 -0.028 5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 175 12.745 -2.167 2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.925 1.439 2.751 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.679 -0.672 1.353 1.00 0.00 H new ATOM 931 N PRO A 176 10.909 -2.469 7.931 1.00 0.00 N ATOM 932 CA PRO A 176 9.857 -2.731 8.920 1.00 0.00 C ATOM 933 C PRO A 176 8.978 -1.508 9.174 1.00 0.00 C ATOM 934 O PRO A 176 7.942 -1.602 9.833 1.00 0.00 O ATOM 935 CB PRO A 176 10.631 -3.102 10.195 1.00 0.00 C ATOM 936 CG PRO A 176 12.023 -3.390 9.743 1.00 0.00 C ATOM 937 CD PRO A 176 12.248 -2.532 8.534 1.00 0.00 C ATOM 0 HA PRO A 176 9.175 -3.511 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.613 -2.286 10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 176 10.189 -3.970 10.684 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.744 -3.158 10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 176 12.145 -4.446 9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 176 12.618 -1.543 8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 176 12.978 -2.972 7.855 1.00 0.00 H new ATOM 945 N ASP A 177 9.400 -0.362 8.648 1.00 0.00 N ATOM 946 CA ASP A 177 8.652 0.879 8.819 1.00 0.00 C ATOM 947 C ASP A 177 7.373 0.864 7.987 1.00 0.00 C ATOM 948 O ASP A 177 6.272 0.997 8.522 1.00 0.00 O ATOM 949 CB ASP A 177 9.516 2.077 8.426 1.00 0.00 C ATOM 950 CG ASP A 177 8.795 3.397 8.617 1.00 0.00 C ATOM 951 OD1 ASP A 177 8.119 3.848 7.669 1.00 0.00 O ATOM 952 OD2 ASP A 177 8.906 3.981 9.716 1.00 0.00 O ATOM 0 H ASP A 177 10.255 -0.267 8.100 1.00 0.00 H new ATOM 0 HA ASP A 177 8.378 0.967 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 177 10.428 2.075 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 177 9.817 1.978 7.383 1.00 0.00 H new ATOM 957 N LEU A 178 7.528 0.702 6.676 1.00 0.00 N ATOM 958 CA LEU A 178 6.389 0.671 5.769 1.00 0.00 C ATOM 959 C LEU A 178 5.449 -0.483 6.106 1.00 0.00 C ATOM 960 O LEU A 178 4.229 -0.331 6.060 1.00 0.00 O ATOM 961 CB LEU A 178 6.869 0.545 4.320 1.00 0.00 C ATOM 962 CG LEU A 178 7.417 1.830 3.689 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.361 2.925 3.693 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.676 2.300 4.404 1.00 0.00 C ATOM 0 H LEU A 178 8.433 0.590 6.219 1.00 0.00 H new ATOM 0 HA LEU A 178 5.841 1.606 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.646 -0.219 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 178 6.039 0.188 3.711 1.00 0.00 H new ATOM 0 HG LEU A 178 7.680 1.607 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.771 3.828 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.493 2.595 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 178 6.061 3.137 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 178 9.042 3.213 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.448 2.497 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.442 1.527 4.339 1.00 0.00 H new ATOM 976 N ILE A 179 6.022 -1.634 6.443 1.00 0.00 N ATOM 977 CA ILE A 179 5.229 -2.809 6.787 1.00 0.00 C ATOM 978 C ILE A 179 4.318 -2.519 7.976 1.00 0.00 C ATOM 979 O ILE A 179 3.130 -2.845 7.958 1.00 0.00 O ATOM 980 CB ILE A 179 6.126 -4.018 7.119 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.084 -4.300 5.958 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.275 -5.243 7.424 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.114 -5.368 6.263 1.00 0.00 C ATOM 0 H ILE A 179 7.031 -1.778 6.485 1.00 0.00 H new ATOM 0 HA ILE A 179 4.622 -3.052 5.915 1.00 0.00 H new ATOM 0 HB ILE A 179 6.716 -3.784 8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.505 -4.605 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.599 -3.377 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 179 5.923 -6.088 7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.630 -5.035 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.661 -5.485 6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.756 -5.513 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.720 -5.057 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.608 -6.304 6.500 1.00 0.00 H new ATOM 995 N MET A 180 4.885 -1.902 9.007 1.00 0.00 N ATOM 996 CA MET A 180 4.133 -1.562 10.209 1.00 0.00 C ATOM 997 C MET A 180 3.010 -0.583 9.885 1.00 0.00 C ATOM 998 O MET A 180 1.882 -0.740 10.355 1.00 0.00 O ATOM 999 CB MET A 180 5.067 -0.962 11.262 1.00 0.00 C ATOM 1000 CG MET A 180 4.387 -0.673 12.590 1.00 0.00 C ATOM 1001 SD MET A 180 3.594 -2.130 13.297 1.00 0.00 S ATOM 1002 CE MET A 180 3.035 -1.483 14.870 1.00 0.00 C ATOM 0 H MET A 180 5.867 -1.626 9.034 1.00 0.00 H new ATOM 0 HA MET A 180 3.689 -2.475 10.606 1.00 0.00 H new ATOM 0 HB2 MET A 180 5.897 -1.648 11.431 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.492 -0.037 10.873 1.00 0.00 H new ATOM 0 HG2 MET A 180 5.124 -0.288 13.295 1.00 0.00 H new ATOM 0 HG3 MET A 180 3.641 0.109 12.449 1.00 0.00 H new ATOM 0 HE1 MET A 180 2.523 -2.269 15.425 1.00 0.00 H new ATOM 0 HE2 MET A 180 3.892 -1.132 15.444 1.00 0.00 H new ATOM 0 HE3 MET A 180 2.349 -0.654 14.699 1.00 0.00 H new ATOM 1012 N GLY A 181 3.325 0.426 9.079 1.00 0.00 N ATOM 1013 CA GLY A 181 2.333 1.416 8.704 1.00 0.00 C ATOM 1014 C GLY A 181 1.204 0.823 7.884 1.00 0.00 C ATOM 1015 O GLY A 181 0.072 1.304 7.935 1.00 0.00 O ATOM 0 H GLY A 181 4.251 0.575 8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 181 1.923 1.874 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 181 2.814 2.210 8.133 1.00 0.00 H new ATOM 1019 N PHE A 182 1.510 -0.226 7.125 1.00 0.00 N ATOM 1020 CA PHE A 182 0.509 -0.884 6.294 1.00 0.00 C ATOM 1021 C PHE A 182 -0.393 -1.778 7.137 1.00 0.00 C ATOM 1022 O PHE A 182 -1.582 -1.919 6.853 1.00 0.00 O ATOM 1023 CB PHE A 182 1.182 -1.706 5.193 1.00 0.00 C ATOM 1024 CG PHE A 182 0.209 -2.322 4.227 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.297 -1.585 3.167 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.201 -3.637 4.380 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.193 -2.148 2.279 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.097 -4.206 3.495 1.00 0.00 C ATOM 1029 CZ PHE A 182 -1.594 -3.460 2.443 1.00 0.00 C ATOM 0 H PHE A 182 2.442 -0.637 7.069 1.00 0.00 H new ATOM 0 HA PHE A 182 -0.105 -0.112 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.872 -1.066 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.776 -2.496 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 182 0.013 -0.559 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 182 0.184 -4.224 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -1.580 -1.563 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.408 -5.232 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.295 -3.902 1.750 1.00 0.00 H new ATOM 1039 N ASN A 183 0.181 -2.383 8.175 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.576 -3.261 9.060 1.00 0.00 C ATOM 1041 C ASN A 183 -1.691 -2.493 9.762 1.00 0.00 C ATOM 1042 O ASN A 183 -2.722 -3.064 10.117 1.00 0.00 O ATOM 1043 CB ASN A 183 0.352 -3.899 10.097 1.00 0.00 C ATOM 1044 CG ASN A 183 1.436 -4.746 9.458 1.00 0.00 C ATOM 1045 OD1 ASN A 183 1.235 -5.333 8.395 1.00 0.00 O ATOM 1046 ND2 ASN A 183 2.594 -4.813 10.104 1.00 0.00 N ATOM 0 H ASN A 183 1.165 -2.281 8.422 1.00 0.00 H new ATOM 0 HA ASN A 183 -1.026 -4.047 8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 183 0.814 -3.116 10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -0.236 -4.517 10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 183 3.360 -5.367 9.721 1.00 0.00 H new ATOM 0 HD22 ASN A 183 2.718 -4.310 10.983 1.00 0.00 H new ATOM 1053 N THR A 184 -1.476 -1.196 9.957 1.00 0.00 N ATOM 1054 CA THR A 184 -2.463 -0.345 10.612 1.00 0.00 C ATOM 1055 C THR A 184 -3.326 0.381 9.587 1.00 0.00 C ATOM 1056 O THR A 184 -4.372 0.935 9.923 1.00 0.00 O ATOM 1057 CB THR A 184 -1.792 0.695 11.528 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.812 1.439 10.793 1.00 0.00 O ATOM 1059 CG2 THR A 184 -1.134 0.019 12.722 1.00 0.00 C ATOM 0 H THR A 184 -0.626 -0.711 9.670 1.00 0.00 H new ATOM 0 HA THR A 184 -3.091 -0.998 11.218 1.00 0.00 H new ATOM 0 HB THR A 184 -2.562 1.375 11.894 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.886 1.225 9.840 1.00 0.00 H new ATOM 0 HG21 THR A 184 -0.666 0.773 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.888 -0.520 13.296 1.00 0.00 H new ATOM 0 HG23 THR A 184 -0.376 -0.681 12.371 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.880 0.373 8.334 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.611 1.030 7.259 1.00 0.00 C ATOM 1069 C PHE A 185 -4.899 0.277 6.939 1.00 0.00 C ATOM 1070 O PHE A 185 -5.832 0.838 6.366 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.735 1.132 6.008 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.330 1.987 4.924 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.162 3.362 4.938 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -4.057 1.414 3.893 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -3.707 4.151 3.943 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.603 2.198 2.894 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.429 3.568 2.920 1.00 0.00 C ATOM 0 H PHE A 185 -2.016 -0.082 8.040 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.874 2.035 7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.763 1.539 6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.560 0.131 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -2.598 3.823 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -4.199 0.344 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -3.569 5.222 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -5.165 1.740 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.857 4.182 2.142 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.940 -0.999 7.317 1.00 0.00 N ATOM 1088 CA LEU A 186 -6.114 -1.831 7.074 1.00 0.00 C ATOM 1089 C LEU A 186 -7.351 -1.233 7.743 1.00 0.00 C ATOM 1090 O LEU A 186 -7.242 -0.559 8.767 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.874 -3.252 7.593 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.707 -3.997 6.939 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -4.492 -5.345 7.610 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -4.958 -4.180 5.449 1.00 0.00 C ATOM 0 H LEU A 186 -4.175 -1.478 7.792 1.00 0.00 H new ATOM 0 HA LEU A 186 -6.287 -1.869 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.697 -3.204 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -6.784 -3.834 7.446 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.804 -3.400 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.659 -5.860 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -4.268 -5.194 8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -5.395 -5.948 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -4.118 -4.711 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -5.872 -4.756 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -5.064 -3.204 4.975 1.00 0.00 H new