USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 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 65 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= -0.0149 (180deg=-0.515) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.78) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 84 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.12) USER MOD Single : A 85 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.057) USER MOD Single : A 89 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.31) USER MOD Single : B 168 SER OG : rot -15:sc= 0.38 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 175 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.2) USER MOD Single : B 176 MET CE :methyl 180:sc= -8.51! (180deg=-8.51!) USER MOD Single : B 184 THR OG1 : rot 180:sc=-0.00154 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.27) USER MOD Single : B 189 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.21) USER MOD Single : B 191 SER OG : rot 82:sc= 1.25 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ -173:sc= -0.0372 (180deg=-0.132) USER MOD Single : B 197 GLN : amide:sc= -6.84! C(o=-6.8!,f=-5.1!) USER MOD Single : B 198 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.064) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.115 -18.583 2.195 1.00 0.00 N ATOM 162 CA LEU A 62 -0.271 -17.527 1.209 1.00 0.00 C ATOM 163 C LEU A 62 -1.543 -16.810 1.677 1.00 0.00 C ATOM 164 O LEU A 62 -1.766 -15.657 1.359 1.00 0.00 O ATOM 165 CB LEU A 62 -0.524 -18.277 -0.109 1.00 0.00 C ATOM 166 CG LEU A 62 0.241 -17.607 -1.263 1.00 0.00 C ATOM 167 CD1 LEU A 62 -0.205 -16.149 -1.413 1.00 0.00 C ATOM 168 CD2 LEU A 62 1.751 -17.660 -0.985 1.00 0.00 C ATOM 0 HA LEU A 62 0.501 -16.765 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.209 -19.316 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.591 -18.288 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 62 0.025 -18.142 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.342 -15.684 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.274 -16.115 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.002 -15.609 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.289 -17.184 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.968 -17.134 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.069 -18.699 -0.897 1.00 0.00 H new ATOM 180 N GLU A 63 -2.374 -17.487 2.429 1.00 0.00 N ATOM 181 CA GLU A 63 -3.634 -16.850 2.921 1.00 0.00 C ATOM 182 C GLU A 63 -3.318 -15.827 4.013 1.00 0.00 C ATOM 183 O GLU A 63 -3.967 -14.804 4.122 1.00 0.00 O ATOM 184 CB GLU A 63 -4.472 -17.998 3.487 1.00 0.00 C ATOM 185 CG GLU A 63 -5.955 -17.724 3.231 1.00 0.00 C ATOM 186 CD GLU A 63 -6.522 -16.872 4.369 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.572 -17.366 5.484 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.896 -15.742 4.105 1.00 0.00 O ATOM 0 H GLU A 63 -2.234 -18.453 2.724 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.160 -16.317 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.180 -18.939 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.290 -18.102 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.081 -17.208 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.502 -18.664 3.159 1.00 0.00 H new ATOM 195 N GLU A 64 -2.322 -16.097 4.816 1.00 0.00 N ATOM 196 CA GLU A 64 -1.953 -15.141 5.904 1.00 0.00 C ATOM 197 C GLU A 64 -1.226 -13.935 5.312 1.00 0.00 C ATOM 198 O GLU A 64 -1.356 -12.823 5.790 1.00 0.00 O ATOM 199 CB GLU A 64 -1.025 -15.927 6.833 1.00 0.00 C ATOM 200 CG GLU A 64 -0.787 -15.125 8.115 1.00 0.00 C ATOM 201 CD GLU A 64 -0.430 -16.080 9.256 1.00 0.00 C ATOM 202 OE1 GLU A 64 -1.340 -16.662 9.821 1.00 0.00 O ATOM 203 OE2 GLU A 64 0.749 -16.212 9.544 1.00 0.00 O ATOM 0 H GLU A 64 -1.747 -16.938 4.766 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.826 -14.761 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.467 -16.894 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.076 -16.125 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.018 -14.406 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.680 -14.554 8.370 1.00 0.00 H new ATOM 210 N THR A 65 -0.470 -14.148 4.267 1.00 0.00 N ATOM 211 CA THR A 65 0.265 -13.018 3.625 1.00 0.00 C ATOM 212 C THR A 65 -0.712 -12.164 2.814 1.00 0.00 C ATOM 213 O THR A 65 -0.533 -10.969 2.670 1.00 0.00 O ATOM 214 CB THR A 65 1.297 -13.679 2.706 1.00 0.00 C ATOM 215 OG1 THR A 65 2.128 -14.538 3.474 1.00 0.00 O ATOM 216 CG2 THR A 65 2.151 -12.602 2.036 1.00 0.00 C ATOM 0 H THR A 65 -0.329 -15.058 3.829 1.00 0.00 H new ATOM 0 HA THR A 65 0.741 -12.362 4.354 1.00 0.00 H new ATOM 0 HB THR A 65 0.784 -14.259 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.018 -14.583 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.885 -13.074 1.383 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.511 -11.944 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.667 -12.019 2.799 1.00 0.00 H new ATOM 224 N LYS A 66 -1.747 -12.772 2.292 1.00 0.00 N ATOM 225 CA LYS A 66 -2.749 -12.002 1.495 1.00 0.00 C ATOM 226 C LYS A 66 -3.603 -11.134 2.423 1.00 0.00 C ATOM 227 O LYS A 66 -4.120 -10.108 2.022 1.00 0.00 O ATOM 228 CB LYS A 66 -3.615 -13.061 0.805 1.00 0.00 C ATOM 229 CG LYS A 66 -3.074 -13.324 -0.602 1.00 0.00 C ATOM 230 CD LYS A 66 -3.453 -12.160 -1.521 1.00 0.00 C ATOM 231 CE LYS A 66 -2.476 -12.098 -2.697 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.077 -11.118 -3.644 1.00 0.00 N ATOM 0 H LYS A 66 -1.941 -13.769 2.384 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.276 -11.334 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.612 -13.983 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.649 -12.722 0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.990 -13.439 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.482 -14.257 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.472 -12.289 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.430 -11.222 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.486 -11.777 -2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.357 -13.076 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.464 -11.020 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.015 -11.453 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.172 -10.195 -3.174 1.00 0.00 H new ATOM 246 N GLU A 67 -3.750 -11.537 3.662 1.00 0.00 N ATOM 247 CA GLU A 67 -4.567 -10.735 4.622 1.00 0.00 C ATOM 248 C GLU A 67 -3.817 -9.462 5.018 1.00 0.00 C ATOM 249 O GLU A 67 -4.416 -8.432 5.264 1.00 0.00 O ATOM 250 CB GLU A 67 -4.767 -11.642 5.839 1.00 0.00 C ATOM 251 CG GLU A 67 -5.940 -12.589 5.582 1.00 0.00 C ATOM 252 CD GLU A 67 -7.250 -11.798 5.604 1.00 0.00 C ATOM 253 OE1 GLU A 67 -7.785 -11.606 6.683 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.694 -11.397 4.541 1.00 0.00 O ATOM 0 H GLU A 67 -3.339 -12.387 4.049 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.518 -10.423 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.860 -12.214 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.960 -11.040 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.818 -13.083 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.962 -13.371 6.341 1.00 0.00 H new ATOM 261 N GLN A 68 -2.512 -9.527 5.073 1.00 0.00 N ATOM 262 CA GLN A 68 -1.715 -8.320 5.446 1.00 0.00 C ATOM 263 C GLN A 68 -1.658 -7.355 4.263 1.00 0.00 C ATOM 264 O GLN A 68 -1.696 -6.150 4.429 1.00 0.00 O ATOM 265 CB GLN A 68 -0.318 -8.844 5.784 1.00 0.00 C ATOM 266 CG GLN A 68 0.548 -7.694 6.302 1.00 0.00 C ATOM 267 CD GLN A 68 -0.001 -7.205 7.645 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.068 -7.907 8.634 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.544 -6.022 7.721 1.00 0.00 N ATOM 0 H GLN A 68 -1.963 -10.364 4.876 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.151 -7.778 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.385 -9.630 6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.139 -9.288 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.580 -8.026 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.555 -6.877 5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.602 -5.433 6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.911 -5.686 8.611 1.00 0.00 H new ATOM 278 N ILE A 69 -1.580 -7.881 3.070 1.00 0.00 N ATOM 279 CA ILE A 69 -1.536 -7.005 1.862 1.00 0.00 C ATOM 280 C ILE A 69 -2.905 -6.350 1.651 1.00 0.00 C ATOM 281 O ILE A 69 -3.008 -5.271 1.099 1.00 0.00 O ATOM 282 CB ILE A 69 -1.187 -7.936 0.695 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.175 -8.587 0.953 1.00 0.00 C ATOM 284 CG2 ILE A 69 -1.122 -7.132 -0.607 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.392 -9.733 -0.037 1.00 0.00 C ATOM 0 H ILE A 69 -1.545 -8.882 2.879 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.806 -6.201 1.956 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.954 -8.706 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.969 -7.847 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.222 -8.962 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.874 -7.798 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.089 -6.665 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.357 -6.360 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.362 -10.195 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.395 -10.477 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.364 -9.345 -1.055 1.00 0.00 H new ATOM 297 N LEU A 70 -3.957 -6.996 2.096 1.00 0.00 N ATOM 298 CA LEU A 70 -5.323 -6.412 1.933 1.00 0.00 C ATOM 299 C LEU A 70 -5.466 -5.171 2.818 1.00 0.00 C ATOM 300 O LEU A 70 -6.092 -4.200 2.440 1.00 0.00 O ATOM 301 CB LEU A 70 -6.290 -7.509 2.385 1.00 0.00 C ATOM 302 CG LEU A 70 -7.685 -7.224 1.826 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.414 -8.544 1.574 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.476 -6.389 2.837 1.00 0.00 C ATOM 0 H LEU A 70 -3.927 -7.902 2.564 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.520 -6.102 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.940 -8.482 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.325 -7.551 3.474 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.596 -6.675 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.408 -8.340 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.850 -9.140 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.504 -9.094 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.471 -6.184 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.564 -6.940 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.957 -5.448 3.017 1.00 0.00 H new ATOM 316 N LYS A 71 -4.881 -5.198 3.990 1.00 0.00 N ATOM 317 CA LYS A 71 -4.971 -4.016 4.902 1.00 0.00 C ATOM 318 C LYS A 71 -4.153 -2.856 4.331 1.00 0.00 C ATOM 319 O LYS A 71 -4.472 -1.700 4.537 1.00 0.00 O ATOM 320 CB LYS A 71 -4.379 -4.486 6.232 1.00 0.00 C ATOM 321 CG LYS A 71 -4.881 -3.584 7.361 1.00 0.00 C ATOM 322 CD LYS A 71 -6.221 -4.109 7.877 1.00 0.00 C ATOM 323 CE LYS A 71 -6.814 -3.108 8.871 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.919 -3.171 10.060 1.00 0.00 N ATOM 0 H LYS A 71 -4.346 -5.986 4.354 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.995 -3.662 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.665 -5.520 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.290 -4.459 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.152 -3.558 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.994 -2.561 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.908 -4.262 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.083 -5.077 8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.842 -2.103 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.838 -3.372 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.419 -2.794 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.647 -4.159 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.066 -2.604 9.883 1.00 0.00 H new ATOM 338 N LEU A 72 -3.105 -3.162 3.610 1.00 0.00 N ATOM 339 CA LEU A 72 -2.258 -2.084 3.013 1.00 0.00 C ATOM 340 C LEU A 72 -3.023 -1.377 1.891 1.00 0.00 C ATOM 341 O LEU A 72 -2.802 -0.212 1.618 1.00 0.00 O ATOM 342 CB LEU A 72 -1.029 -2.803 2.455 1.00 0.00 C ATOM 343 CG LEU A 72 0.088 -2.792 3.500 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.221 -3.716 3.048 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.624 -1.366 3.660 1.00 0.00 C ATOM 0 H LEU A 72 -2.798 -4.114 3.408 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.984 -1.322 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.284 -3.829 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.692 -2.313 1.542 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.305 -3.141 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.017 -3.708 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.840 -4.731 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.615 -3.368 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.420 -1.358 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.017 -1.016 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.183 -0.708 3.984 1.00 0.00 H new ATOM 357 N GLU A 73 -3.922 -2.075 1.243 1.00 0.00 N ATOM 358 CA GLU A 73 -4.709 -1.448 0.137 1.00 0.00 C ATOM 359 C GLU A 73 -5.726 -0.461 0.712 1.00 0.00 C ATOM 360 O GLU A 73 -6.048 0.539 0.099 1.00 0.00 O ATOM 361 CB GLU A 73 -5.422 -2.608 -0.562 1.00 0.00 C ATOM 362 CG GLU A 73 -4.514 -3.183 -1.652 1.00 0.00 C ATOM 363 CD GLU A 73 -4.880 -4.647 -1.902 1.00 0.00 C ATOM 364 OE1 GLU A 73 -5.739 -4.887 -2.736 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.297 -5.502 -1.258 1.00 0.00 O ATOM 0 H GLU A 73 -4.145 -3.052 1.432 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.076 -0.891 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.675 -3.383 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.359 -2.263 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.623 -2.608 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.470 -3.105 -1.349 1.00 0.00 H new ATOM 372 N GLU A 74 -6.229 -0.736 1.888 1.00 0.00 N ATOM 373 CA GLU A 74 -7.224 0.186 2.517 1.00 0.00 C ATOM 374 C GLU A 74 -6.511 1.428 3.055 1.00 0.00 C ATOM 375 O GLU A 74 -7.068 2.509 3.088 1.00 0.00 O ATOM 376 CB GLU A 74 -7.850 -0.614 3.663 1.00 0.00 C ATOM 377 CG GLU A 74 -9.247 -1.090 3.257 1.00 0.00 C ATOM 378 CD GLU A 74 -9.128 -2.357 2.407 1.00 0.00 C ATOM 379 OE1 GLU A 74 -8.839 -2.230 1.228 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.328 -3.431 2.949 1.00 0.00 O ATOM 0 H GLU A 74 -5.994 -1.560 2.441 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.978 0.527 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.221 -1.470 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.912 0.003 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.847 -1.290 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.760 -0.309 2.695 1.00 0.00 H new ATOM 387 N LYS A 75 -5.281 1.276 3.470 1.00 0.00 N ATOM 388 CA LYS A 75 -4.517 2.442 4.006 1.00 0.00 C ATOM 389 C LYS A 75 -4.085 3.352 2.854 1.00 0.00 C ATOM 390 O LYS A 75 -4.002 4.557 3.001 1.00 0.00 O ATOM 391 CB LYS A 75 -3.296 1.836 4.703 1.00 0.00 C ATOM 392 CG LYS A 75 -3.018 2.594 6.003 1.00 0.00 C ATOM 393 CD LYS A 75 -4.029 2.167 7.069 1.00 0.00 C ATOM 394 CE LYS A 75 -3.531 2.601 8.450 1.00 0.00 C ATOM 395 NZ LYS A 75 -4.227 3.890 8.721 1.00 0.00 N ATOM 0 H LYS A 75 -4.771 0.393 3.461 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.110 3.049 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.472 0.782 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.427 1.888 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.004 2.389 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.086 3.668 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.001 2.616 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.165 1.086 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.770 1.856 9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.448 2.727 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.937 4.252 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.975 4.582 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.256 3.737 8.714 1.00 0.00 H new ATOM 409 N LEU A 76 -3.817 2.781 1.706 1.00 0.00 N ATOM 410 CA LEU A 76 -3.398 3.606 0.534 1.00 0.00 C ATOM 411 C LEU A 76 -4.613 4.338 -0.041 1.00 0.00 C ATOM 412 O LEU A 76 -4.500 5.430 -0.568 1.00 0.00 O ATOM 413 CB LEU A 76 -2.834 2.604 -0.483 1.00 0.00 C ATOM 414 CG LEU A 76 -1.836 3.294 -1.428 1.00 0.00 C ATOM 415 CD1 LEU A 76 -2.533 4.423 -2.193 1.00 0.00 C ATOM 416 CD2 LEU A 76 -0.666 3.869 -0.621 1.00 0.00 C ATOM 0 H LEU A 76 -3.871 1.778 1.531 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.661 4.364 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.340 1.785 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.648 2.168 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.458 2.559 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.819 4.906 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.355 4.012 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.922 5.156 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.037 4.356 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.043 4.597 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.160 3.063 -0.090 1.00 0.00 H new ATOM 428 N LEU A 77 -5.773 3.746 0.067 1.00 0.00 N ATOM 429 CA LEU A 77 -7.007 4.401 -0.462 1.00 0.00 C ATOM 430 C LEU A 77 -7.427 5.541 0.466 1.00 0.00 C ATOM 431 O LEU A 77 -7.914 6.566 0.025 1.00 0.00 O ATOM 432 CB LEU A 77 -8.073 3.303 -0.481 1.00 0.00 C ATOM 433 CG LEU A 77 -8.228 2.758 -1.902 1.00 0.00 C ATOM 434 CD1 LEU A 77 -7.222 1.628 -2.130 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.648 2.221 -2.090 1.00 0.00 C ATOM 0 H LEU A 77 -5.920 2.834 0.500 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.855 4.829 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.792 2.498 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.025 3.701 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.043 3.558 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.333 1.241 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.210 2.010 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.405 0.828 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.759 1.833 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.833 1.422 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.366 3.026 -1.929 1.00 0.00 H new ATOM 447 N ALA A 78 -7.230 5.371 1.747 1.00 0.00 N ATOM 448 CA ALA A 78 -7.606 6.445 2.717 1.00 0.00 C ATOM 449 C ALA A 78 -6.624 7.612 2.603 1.00 0.00 C ATOM 450 O ALA A 78 -6.974 8.756 2.823 1.00 0.00 O ATOM 451 CB ALA A 78 -7.507 5.796 4.098 1.00 0.00 C ATOM 0 H ALA A 78 -6.824 4.534 2.165 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.604 6.841 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.770 6.527 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.193 4.951 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.488 5.447 4.264 1.00 0.00 H new ATOM 457 N LEU A 79 -5.396 7.325 2.252 1.00 0.00 N ATOM 458 CA LEU A 79 -4.377 8.410 2.113 1.00 0.00 C ATOM 459 C LEU A 79 -4.646 9.214 0.840 1.00 0.00 C ATOM 460 O LEU A 79 -4.495 10.422 0.818 1.00 0.00 O ATOM 461 CB LEU A 79 -3.031 7.684 2.022 1.00 0.00 C ATOM 462 CG LEU A 79 -1.963 8.475 2.785 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.322 8.529 4.272 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.608 7.785 2.617 1.00 0.00 C ATOM 0 H LEU A 79 -5.054 6.384 2.055 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.399 9.113 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.120 6.680 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.738 7.572 0.978 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.913 9.489 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.560 9.092 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.289 9.017 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.374 7.516 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.155 8.345 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.664 6.771 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.348 7.747 1.559 1.00 0.00 H new ATOM 476 N GLN A 80 -5.053 8.554 -0.214 1.00 0.00 N ATOM 477 CA GLN A 80 -5.346 9.278 -1.488 1.00 0.00 C ATOM 478 C GLN A 80 -6.616 10.112 -1.324 1.00 0.00 C ATOM 479 O GLN A 80 -6.764 11.161 -1.924 1.00 0.00 O ATOM 480 CB GLN A 80 -5.549 8.186 -2.539 1.00 0.00 C ATOM 481 CG GLN A 80 -5.330 8.774 -3.935 1.00 0.00 C ATOM 482 CD GLN A 80 -3.855 8.643 -4.317 1.00 0.00 C ATOM 483 OE1 GLN A 80 -3.247 7.613 -4.102 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.248 9.653 -4.879 1.00 0.00 N ATOM 0 H GLN A 80 -5.195 7.545 -0.248 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.544 9.960 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.853 7.365 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.555 7.773 -2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.953 8.253 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.629 9.822 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.758 10.518 -5.060 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.264 9.577 -5.137 1.00 0.00 H new ATOM 493 N GLU A 81 -7.529 9.655 -0.506 1.00 0.00 N ATOM 494 CA GLU A 81 -8.793 10.419 -0.285 1.00 0.00 C ATOM 495 C GLU A 81 -8.487 11.720 0.459 1.00 0.00 C ATOM 496 O GLU A 81 -9.163 12.717 0.287 1.00 0.00 O ATOM 497 CB GLU A 81 -9.675 9.506 0.572 1.00 0.00 C ATOM 498 CG GLU A 81 -10.635 8.728 -0.331 1.00 0.00 C ATOM 499 CD GLU A 81 -11.963 9.479 -0.432 1.00 0.00 C ATOM 500 OE1 GLU A 81 -11.928 10.693 -0.554 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.994 8.828 -0.386 1.00 0.00 O ATOM 0 H GLU A 81 -7.453 8.784 0.019 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.283 10.687 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.055 8.815 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.237 10.099 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.199 8.604 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.800 7.729 0.072 1.00 0.00 H new ATOM 508 N GLU A 82 -7.466 11.715 1.278 1.00 0.00 N ATOM 509 CA GLU A 82 -7.101 12.952 2.035 1.00 0.00 C ATOM 510 C GLU A 82 -6.629 14.033 1.060 1.00 0.00 C ATOM 511 O GLU A 82 -7.050 15.172 1.137 1.00 0.00 O ATOM 512 CB GLU A 82 -5.967 12.536 2.982 1.00 0.00 C ATOM 513 CG GLU A 82 -6.471 12.544 4.428 1.00 0.00 C ATOM 514 CD GLU A 82 -5.502 11.754 5.311 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.325 12.079 5.302 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.952 10.840 5.980 1.00 0.00 O ATOM 0 H GLU A 82 -6.869 10.907 1.456 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.945 13.364 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.607 11.542 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.124 13.219 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.556 13.569 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.467 12.105 4.480 1.00 0.00 H new ATOM 523 N LYS A 83 -5.769 13.682 0.136 1.00 0.00 N ATOM 524 CA LYS A 83 -5.283 14.689 -0.854 1.00 0.00 C ATOM 525 C LYS A 83 -6.457 15.167 -1.713 1.00 0.00 C ATOM 526 O LYS A 83 -6.472 16.285 -2.193 1.00 0.00 O ATOM 527 CB LYS A 83 -4.248 13.957 -1.711 1.00 0.00 C ATOM 528 CG LYS A 83 -3.651 14.926 -2.734 1.00 0.00 C ATOM 529 CD LYS A 83 -2.566 14.211 -3.542 1.00 0.00 C ATOM 530 CE LYS A 83 -2.563 14.744 -4.977 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.755 13.760 -5.750 1.00 0.00 N ATOM 0 H LYS A 83 -5.384 12.744 0.026 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.849 15.567 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.460 13.549 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.714 13.115 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.431 15.295 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.229 15.793 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.591 14.370 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.747 13.136 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.576 14.820 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.125 15.741 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.678 14.074 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.804 13.689 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.218 12.829 -5.718 1.00 0.00 H new ATOM 545 N HIS A 84 -7.441 14.323 -1.904 1.00 0.00 N ATOM 546 CA HIS A 84 -8.624 14.717 -2.725 1.00 0.00 C ATOM 547 C HIS A 84 -9.367 15.871 -2.049 1.00 0.00 C ATOM 548 O HIS A 84 -9.955 16.711 -2.706 1.00 0.00 O ATOM 549 CB HIS A 84 -9.510 13.470 -2.785 1.00 0.00 C ATOM 550 CG HIS A 84 -10.687 13.732 -3.684 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.550 14.337 -4.924 1.00 0.00 N ATOM 552 CD2 HIS A 84 -12.029 13.476 -3.538 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.777 14.423 -5.471 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.715 13.913 -4.667 1.00 0.00 N ATOM 0 H HIS A 84 -7.474 13.377 -1.525 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.340 15.056 -3.721 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.936 12.621 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.854 13.207 -1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.483 13.007 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.979 14.852 -6.441 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.718 13.856 -4.843 1.00 0.00 H new ATOM 562 N GLN A 85 -9.340 15.921 -0.741 1.00 0.00 N ATOM 563 CA GLN A 85 -10.040 17.026 -0.017 1.00 0.00 C ATOM 564 C GLN A 85 -9.370 18.363 -0.344 1.00 0.00 C ATOM 565 O GLN A 85 -10.012 19.396 -0.379 1.00 0.00 O ATOM 566 CB GLN A 85 -9.893 16.700 1.471 1.00 0.00 C ATOM 567 CG GLN A 85 -11.182 16.055 1.987 1.00 0.00 C ATOM 568 CD GLN A 85 -12.255 17.130 2.167 1.00 0.00 C ATOM 569 OE1 GLN A 85 -12.265 17.834 3.158 1.00 0.00 O ATOM 570 NE2 GLN A 85 -13.166 17.288 1.247 1.00 0.00 N ATOM 0 H GLN A 85 -8.864 15.245 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.088 17.108 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.051 16.025 1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.679 17.609 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.527 15.296 1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.995 15.551 2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.158 16.698 0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.886 18.002 1.359 1.00 0.00 H new ATOM 579 N LEU A 86 -8.085 18.344 -0.590 1.00 0.00 N ATOM 580 CA LEU A 86 -7.364 19.611 -0.924 1.00 0.00 C ATOM 581 C LEU A 86 -7.826 20.119 -2.292 1.00 0.00 C ATOM 582 O LEU A 86 -7.887 21.310 -2.533 1.00 0.00 O ATOM 583 CB LEU A 86 -5.877 19.240 -0.960 1.00 0.00 C ATOM 584 CG LEU A 86 -5.179 19.781 0.290 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.947 18.926 0.598 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.746 21.228 0.045 1.00 0.00 C ATOM 0 H LEU A 86 -7.503 17.506 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.558 20.402 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.764 18.157 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.411 19.652 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.867 19.744 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.450 19.311 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.254 17.895 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.259 18.962 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.249 21.615 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.058 21.264 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.622 21.838 -0.175 1.00 0.00 H new ATOM 598 N PHE A 87 -8.155 19.219 -3.186 1.00 0.00 N ATOM 599 CA PHE A 87 -8.621 19.641 -4.543 1.00 0.00 C ATOM 600 C PHE A 87 -9.903 20.465 -4.420 1.00 0.00 C ATOM 601 O PHE A 87 -10.127 21.400 -5.166 1.00 0.00 O ATOM 602 CB PHE A 87 -8.890 18.341 -5.305 1.00 0.00 C ATOM 603 CG PHE A 87 -7.671 17.967 -6.115 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.565 17.385 -5.486 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.647 18.204 -7.495 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.435 17.038 -6.236 1.00 0.00 C ATOM 607 CE2 PHE A 87 -6.518 17.858 -8.245 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.412 17.275 -7.616 1.00 0.00 C ATOM 0 H PHE A 87 -8.121 18.211 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.886 20.261 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.134 17.541 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.752 18.464 -5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.583 17.203 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.500 18.654 -7.980 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.582 16.588 -5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.500 18.041 -9.309 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.540 17.008 -8.195 1.00 0.00 H new ATOM 618 N LEU A 88 -10.742 20.126 -3.475 1.00 0.00 N ATOM 619 CA LEU A 88 -12.013 20.890 -3.286 1.00 0.00 C ATOM 620 C LEU A 88 -11.695 22.335 -2.894 1.00 0.00 C ATOM 621 O LEU A 88 -12.441 23.248 -3.194 1.00 0.00 O ATOM 622 CB LEU A 88 -12.753 20.177 -2.153 1.00 0.00 C ATOM 623 CG LEU A 88 -14.256 20.205 -2.427 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.601 19.163 -3.493 1.00 0.00 C ATOM 625 CD2 LEU A 88 -15.015 19.882 -1.137 1.00 0.00 C ATOM 0 H LEU A 88 -10.602 19.352 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.613 20.925 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.407 19.147 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.537 20.663 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.542 21.196 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.673 19.183 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.061 19.390 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.315 18.172 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.087 19.902 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.728 18.891 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.770 20.623 -0.376 1.00 0.00 H new ATOM 637 N GLN A 89 -10.588 22.543 -2.228 1.00 0.00 N ATOM 638 CA GLN A 89 -10.202 23.923 -1.811 1.00 0.00 C ATOM 639 C GLN A 89 -9.252 24.546 -2.841 1.00 0.00 C ATOM 640 O GLN A 89 -9.147 25.753 -2.945 1.00 0.00 O ATOM 641 CB GLN A 89 -9.493 23.745 -0.467 1.00 0.00 C ATOM 642 CG GLN A 89 -10.470 23.155 0.555 1.00 0.00 C ATOM 643 CD GLN A 89 -9.733 22.162 1.457 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.260 21.118 1.788 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.528 22.443 1.871 1.00 0.00 N ATOM 0 H GLN A 89 -9.932 21.812 -1.954 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.064 24.586 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.631 23.088 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.116 24.705 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.908 23.952 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.291 22.655 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.085 23.319 1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.029 21.787 2.472 1.00 0.00 H new ATOM 654 N LEU A 90 -8.560 23.732 -3.604 1.00 0.00 N ATOM 655 CA LEU A 90 -7.609 24.271 -4.634 1.00 0.00 C ATOM 656 C LEU A 90 -8.310 25.296 -5.538 1.00 0.00 C ATOM 657 O LEU A 90 -9.436 25.038 -5.930 1.00 0.00 O ATOM 658 CB LEU A 90 -7.171 23.051 -5.452 1.00 0.00 C ATOM 659 CG LEU A 90 -6.159 23.477 -6.519 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.886 23.996 -5.846 1.00 0.00 C ATOM 661 CD2 LEU A 90 -5.814 22.273 -7.399 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.708 26.319 -5.819 1.00 0.00 O ATOM 0 H LEU A 90 -8.612 22.714 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.764 24.784 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.728 22.302 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.038 22.588 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.591 24.268 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.168 24.298 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.130 24.853 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.452 23.207 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.094 22.573 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.384 21.483 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.719 21.904 -7.882 1.00 0.00 H new ATOM 675 N GLY B 166 -9.218 29.605 -3.055 1.00 0.00 N ATOM 676 CA GLY B 166 -7.847 29.217 -2.617 1.00 0.00 C ATOM 677 C GLY B 166 -7.141 30.431 -2.010 1.00 0.00 C ATOM 678 O GLY B 166 -7.775 31.348 -1.526 1.00 0.00 O ATOM 0 HA2 GLY B 166 -7.902 28.412 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.277 28.838 -3.465 1.00 0.00 H new ATOM 684 N LEU B 167 -5.833 30.438 -2.035 1.00 0.00 N ATOM 685 CA LEU B 167 -5.071 31.595 -1.458 1.00 0.00 C ATOM 686 C LEU B 167 -4.428 32.390 -2.594 1.00 0.00 C ATOM 687 O LEU B 167 -4.720 33.551 -2.802 1.00 0.00 O ATOM 688 CB LEU B 167 -3.967 31.006 -0.553 1.00 0.00 C ATOM 689 CG LEU B 167 -4.448 29.741 0.177 1.00 0.00 C ATOM 690 CD1 LEU B 167 -4.042 28.504 -0.633 1.00 0.00 C ATOM 691 CD2 LEU B 167 -3.805 29.680 1.567 1.00 0.00 C ATOM 0 H LEU B 167 -5.257 29.695 -2.429 1.00 0.00 H new ATOM 0 HA LEU B 167 -5.727 32.256 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -3.090 30.768 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -3.658 31.753 0.178 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.533 29.767 0.282 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -4.381 27.605 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -4.499 28.551 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.957 28.476 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -4.145 28.784 2.086 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -2.720 29.651 1.465 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -4.092 30.562 2.140 1.00 0.00 H new ATOM 703 N SER B 168 -3.552 31.757 -3.329 1.00 0.00 N ATOM 704 CA SER B 168 -2.872 32.441 -4.465 1.00 0.00 C ATOM 705 C SER B 168 -2.453 31.405 -5.507 1.00 0.00 C ATOM 706 O SER B 168 -1.401 31.503 -6.108 1.00 0.00 O ATOM 707 CB SER B 168 -1.645 33.112 -3.847 1.00 0.00 C ATOM 708 OG SER B 168 -2.067 34.035 -2.851 1.00 0.00 O ATOM 0 H SER B 168 -3.277 30.785 -3.188 1.00 0.00 H new ATOM 0 HA SER B 168 -3.515 33.164 -4.967 1.00 0.00 H new ATOM 0 HB2 SER B 168 -0.988 32.361 -3.408 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.071 33.627 -4.617 1.00 0.00 H new ATOM 0 HG SER B 168 -3.025 34.214 -2.956 1.00 0.00 H new ATOM 714 N LYS B 169 -3.271 30.398 -5.711 1.00 0.00 N ATOM 715 CA LYS B 169 -2.936 29.323 -6.701 1.00 0.00 C ATOM 716 C LYS B 169 -1.540 28.756 -6.420 1.00 0.00 C ATOM 717 O LYS B 169 -0.871 28.259 -7.306 1.00 0.00 O ATOM 718 CB LYS B 169 -2.980 29.997 -8.075 1.00 0.00 C ATOM 719 CG LYS B 169 -3.077 28.928 -9.166 1.00 0.00 C ATOM 720 CD LYS B 169 -4.477 28.309 -9.154 1.00 0.00 C ATOM 721 CE LYS B 169 -4.620 27.347 -10.334 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.081 27.307 -10.623 1.00 0.00 N ATOM 0 H LYS B 169 -4.162 30.274 -5.231 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.634 28.488 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.835 30.670 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.086 30.603 -8.223 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.872 29.369 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.325 28.156 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.644 27.779 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.233 29.092 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.056 27.696 -11.199 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.240 26.357 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.259 26.666 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.592 26.964 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -6.413 28.262 -10.864 1.00 0.00 H new ATOM 736 N GLU B 170 -1.101 28.831 -5.187 1.00 0.00 N ATOM 737 CA GLU B 170 0.246 28.301 -4.836 1.00 0.00 C ATOM 738 C GLU B 170 0.292 27.897 -3.364 1.00 0.00 C ATOM 739 O GLU B 170 0.812 26.851 -3.021 1.00 0.00 O ATOM 740 CB GLU B 170 1.213 29.453 -5.112 1.00 0.00 C ATOM 741 CG GLU B 170 1.680 29.391 -6.567 1.00 0.00 C ATOM 742 CD GLU B 170 3.109 29.927 -6.669 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.881 29.677 -5.758 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.407 30.578 -7.656 1.00 0.00 O ATOM 0 H GLU B 170 -1.621 29.238 -4.410 1.00 0.00 H new ATOM 0 HA GLU B 170 0.501 27.412 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.724 30.407 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU B 170 2.070 29.391 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU B 170 1.639 28.364 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU B 170 1.014 29.979 -7.199 1.00 0.00 H new ATOM 751 N GLU B 171 -0.249 28.710 -2.491 1.00 0.00 N ATOM 752 CA GLU B 171 -0.234 28.358 -1.038 1.00 0.00 C ATOM 753 C GLU B 171 -1.014 27.058 -0.815 1.00 0.00 C ATOM 754 O GLU B 171 -0.716 26.291 0.081 1.00 0.00 O ATOM 755 CB GLU B 171 -0.905 29.536 -0.316 1.00 0.00 C ATOM 756 CG GLU B 171 0.062 30.135 0.709 1.00 0.00 C ATOM 757 CD GLU B 171 -0.214 31.632 0.856 1.00 0.00 C ATOM 758 OE1 GLU B 171 -1.377 32.001 0.883 1.00 0.00 O ATOM 759 OE2 GLU B 171 0.742 32.386 0.939 1.00 0.00 O ATOM 0 H GLU B 171 -0.698 29.597 -2.720 1.00 0.00 H new ATOM 0 HA GLU B 171 0.776 28.195 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -1.200 30.297 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.814 29.199 0.182 1.00 0.00 H new ATOM 0 HG2 GLU B 171 -0.056 29.636 1.671 1.00 0.00 H new ATOM 0 HG3 GLU B 171 1.092 29.974 0.391 1.00 0.00 H new ATOM 766 N LEU B 172 -1.995 26.801 -1.642 1.00 0.00 N ATOM 767 CA LEU B 172 -2.787 25.544 -1.506 1.00 0.00 C ATOM 768 C LEU B 172 -2.069 24.417 -2.254 1.00 0.00 C ATOM 769 O LEU B 172 -2.164 23.259 -1.893 1.00 0.00 O ATOM 770 CB LEU B 172 -4.148 25.847 -2.151 1.00 0.00 C ATOM 771 CG LEU B 172 -5.260 25.685 -1.112 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.564 26.262 -1.664 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.453 24.200 -0.802 1.00 0.00 C ATOM 0 H LEU B 172 -2.282 27.411 -2.408 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.905 25.229 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.154 26.862 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.321 25.174 -2.991 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.985 26.216 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.355 26.146 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.428 27.320 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.840 25.731 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -6.245 24.083 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.728 23.671 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.524 23.787 -0.408 1.00 0.00 H new ATOM 785 N ILE B 173 -1.338 24.759 -3.285 1.00 0.00 N ATOM 786 CA ILE B 173 -0.591 23.727 -4.059 1.00 0.00 C ATOM 787 C ILE B 173 0.655 23.325 -3.262 1.00 0.00 C ATOM 788 O ILE B 173 1.101 22.193 -3.321 1.00 0.00 O ATOM 789 CB ILE B 173 -0.234 24.404 -5.398 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.495 24.510 -6.263 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.815 23.584 -6.161 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.379 25.649 -5.758 1.00 0.00 C ATOM 0 H ILE B 173 -1.227 25.715 -3.624 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.161 22.815 -4.238 1.00 0.00 H new ATOM 0 HB ILE B 173 0.172 25.393 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.219 24.686 -7.303 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -2.046 23.570 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.051 24.081 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.719 23.499 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.421 22.589 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.273 25.718 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.668 25.455 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -1.828 26.588 -5.810 1.00 0.00 H new ATOM 804 N GLN B 174 1.205 24.239 -2.499 1.00 0.00 N ATOM 805 CA GLN B 174 2.405 23.902 -1.679 1.00 0.00 C ATOM 806 C GLN B 174 2.002 22.880 -0.620 1.00 0.00 C ATOM 807 O GLN B 174 2.760 21.994 -0.271 1.00 0.00 O ATOM 808 CB GLN B 174 2.846 25.216 -1.030 1.00 0.00 C ATOM 809 CG GLN B 174 4.372 25.254 -0.940 1.00 0.00 C ATOM 810 CD GLN B 174 4.852 26.704 -1.024 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.767 27.441 -0.062 1.00 0.00 O ATOM 812 NE2 GLN B 174 5.357 27.148 -2.143 1.00 0.00 N ATOM 0 H GLN B 174 0.874 25.200 -2.411 1.00 0.00 H new ATOM 0 HA GLN B 174 3.214 23.472 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.485 26.062 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.410 25.307 -0.035 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.703 24.804 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.809 24.668 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN B 174 5.429 26.530 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN B 174 5.680 28.113 -2.209 1.00 0.00 H new ATOM 821 N ASN B 175 0.797 22.991 -0.126 1.00 0.00 N ATOM 822 CA ASN B 175 0.306 22.020 0.892 1.00 0.00 C ATOM 823 C ASN B 175 -0.093 20.724 0.188 1.00 0.00 C ATOM 824 O ASN B 175 0.048 19.642 0.726 1.00 0.00 O ATOM 825 CB ASN B 175 -0.914 22.683 1.533 1.00 0.00 C ATOM 826 CG ASN B 175 -0.496 23.993 2.204 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.647 24.159 2.581 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.381 24.937 2.370 1.00 0.00 N ATOM 0 H ASN B 175 0.129 23.717 -0.386 1.00 0.00 H new ATOM 0 HA ASN B 175 1.059 21.775 1.641 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.674 22.877 0.776 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.360 22.013 2.268 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.113 25.814 2.816 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.341 24.798 2.054 1.00 0.00 H new ATOM 835 N MET B 176 -0.578 20.834 -1.025 1.00 0.00 N ATOM 836 CA MET B 176 -0.978 19.614 -1.787 1.00 0.00 C ATOM 837 C MET B 176 0.271 18.812 -2.161 1.00 0.00 C ATOM 838 O MET B 176 0.231 17.602 -2.276 1.00 0.00 O ATOM 839 CB MET B 176 -1.686 20.130 -3.049 1.00 0.00 C ATOM 840 CG MET B 176 -3.193 19.841 -2.960 1.00 0.00 C ATOM 841 SD MET B 176 -3.803 19.240 -4.558 1.00 0.00 S ATOM 842 CE MET B 176 -5.258 20.308 -4.659 1.00 0.00 C ATOM 0 H MET B 176 -0.713 21.716 -1.519 1.00 0.00 H new ATOM 0 HA MET B 176 -1.628 18.958 -1.208 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.518 21.202 -3.158 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.267 19.650 -3.933 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.384 19.098 -2.185 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.729 20.746 -2.673 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.796 20.104 -5.585 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.912 20.113 -3.809 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.945 21.352 -4.644 1.00 0.00 H new ATOM 852 N ASP B 177 1.381 19.483 -2.347 1.00 0.00 N ATOM 853 CA ASP B 177 2.641 18.766 -2.707 1.00 0.00 C ATOM 854 C ASP B 177 3.197 18.036 -1.481 1.00 0.00 C ATOM 855 O ASP B 177 3.874 17.032 -1.600 1.00 0.00 O ATOM 856 CB ASP B 177 3.609 19.857 -3.168 1.00 0.00 C ATOM 857 CG ASP B 177 4.677 19.243 -4.077 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.628 18.689 -3.549 1.00 0.00 O ATOM 859 OD2 ASP B 177 4.525 19.336 -5.283 1.00 0.00 O ATOM 0 H ASP B 177 1.468 20.496 -2.265 1.00 0.00 H new ATOM 0 HA ASP B 177 2.482 18.016 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.067 20.637 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.079 20.329 -2.305 1.00 0.00 H new ATOM 864 N ARG B 178 2.910 18.534 -0.303 1.00 0.00 N ATOM 865 CA ARG B 178 3.413 17.871 0.938 1.00 0.00 C ATOM 866 C ARG B 178 2.605 16.604 1.217 1.00 0.00 C ATOM 867 O ARG B 178 3.146 15.583 1.597 1.00 0.00 O ATOM 868 CB ARG B 178 3.213 18.900 2.056 1.00 0.00 C ATOM 869 CG ARG B 178 4.553 19.565 2.398 1.00 0.00 C ATOM 870 CD ARG B 178 5.114 18.965 3.691 1.00 0.00 C ATOM 871 NE ARG B 178 5.542 17.586 3.323 1.00 0.00 N ATOM 872 CZ ARG B 178 6.601 17.062 3.876 1.00 0.00 C ATOM 873 NH1 ARG B 178 7.720 17.733 3.910 1.00 0.00 N ATOM 874 NH2 ARG B 178 6.542 15.866 4.394 1.00 0.00 N ATOM 0 H ARG B 178 2.349 19.372 -0.148 1.00 0.00 H new ATOM 0 HA ARG B 178 4.457 17.571 0.853 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.492 19.655 1.743 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.802 18.414 2.941 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.261 19.420 1.582 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.417 20.640 2.514 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.953 19.551 4.067 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.360 18.947 4.478 1.00 0.00 H new ATOM 0 HE ARG B 178 5.007 17.052 2.639 1.00 0.00 H new ATOM 0 HH11 ARG B 178 7.767 18.668 3.504 1.00 0.00 H new ATOM 0 HH12 ARG B 178 8.548 17.323 4.343 1.00 0.00 H new ATOM 0 HH21 ARG B 178 5.668 15.341 4.367 1.00 0.00 H new ATOM 0 HH22 ARG B 178 7.370 15.456 4.826 1.00 0.00 H new ATOM 888 N VAL B 179 1.312 16.665 1.027 1.00 0.00 N ATOM 889 CA VAL B 179 0.458 15.463 1.276 1.00 0.00 C ATOM 890 C VAL B 179 0.723 14.400 0.203 1.00 0.00 C ATOM 891 O VAL B 179 0.553 13.218 0.436 1.00 0.00 O ATOM 892 CB VAL B 179 -0.991 15.967 1.214 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.294 16.548 -0.170 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.946 14.803 1.494 1.00 0.00 C ATOM 0 H VAL B 179 0.810 17.495 0.710 1.00 0.00 H new ATOM 0 HA VAL B 179 0.670 14.997 2.238 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.126 16.747 1.963 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.325 16.901 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -0.620 17.380 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.154 15.777 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.975 15.158 1.451 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.799 14.024 0.746 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -1.744 14.397 2.485 1.00 0.00 H new ATOM 904 N ASP B 180 1.142 14.814 -0.967 1.00 0.00 N ATOM 905 CA ASP B 180 1.424 13.832 -2.058 1.00 0.00 C ATOM 906 C ASP B 180 2.755 13.123 -1.792 1.00 0.00 C ATOM 907 O ASP B 180 2.951 11.987 -2.182 1.00 0.00 O ATOM 908 CB ASP B 180 1.504 14.664 -3.339 1.00 0.00 C ATOM 909 CG ASP B 180 1.596 13.731 -4.549 1.00 0.00 C ATOM 910 OD1 ASP B 180 0.692 12.931 -4.724 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.568 13.833 -5.279 1.00 0.00 O ATOM 0 H ASP B 180 1.301 15.791 -1.214 1.00 0.00 H new ATOM 0 HA ASP B 180 0.657 13.060 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.625 15.303 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.374 15.320 -3.305 1.00 0.00 H new ATOM 916 N ARG B 181 3.665 13.787 -1.125 1.00 0.00 N ATOM 917 CA ARG B 181 4.986 13.156 -0.822 1.00 0.00 C ATOM 918 C ARG B 181 4.824 12.100 0.273 1.00 0.00 C ATOM 919 O ARG B 181 5.555 11.129 0.325 1.00 0.00 O ATOM 920 CB ARG B 181 5.878 14.301 -0.337 1.00 0.00 C ATOM 921 CG ARG B 181 6.533 14.984 -1.539 1.00 0.00 C ATOM 922 CD ARG B 181 7.008 16.382 -1.137 1.00 0.00 C ATOM 923 NE ARG B 181 8.446 16.213 -0.788 1.00 0.00 N ATOM 924 CZ ARG B 181 8.812 16.171 0.464 1.00 0.00 C ATOM 925 NH1 ARG B 181 8.887 17.273 1.159 1.00 0.00 N ATOM 926 NH2 ARG B 181 9.103 15.027 1.021 1.00 0.00 N ATOM 0 H ARG B 181 3.550 14.739 -0.777 1.00 0.00 H new ATOM 0 HA ARG B 181 5.412 12.654 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.287 15.023 0.227 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.643 13.919 0.339 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.376 14.390 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG B 181 5.823 15.053 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.881 17.092 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.438 16.764 -0.290 1.00 0.00 H new ATOM 0 HE ARG B 181 9.144 16.130 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG B 181 8.660 18.167 0.724 1.00 0.00 H new ATOM 0 HH12 ARG B 181 9.173 17.240 2.138 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.044 14.166 0.478 1.00 0.00 H new ATOM 0 HH22 ARG B 181 9.389 14.994 2.000 1.00 0.00 H new ATOM 940 N GLU B 182 3.865 12.284 1.146 1.00 0.00 N ATOM 941 CA GLU B 182 3.643 11.292 2.242 1.00 0.00 C ATOM 942 C GLU B 182 3.028 10.015 1.671 1.00 0.00 C ATOM 943 O GLU B 182 3.343 8.919 2.096 1.00 0.00 O ATOM 944 CB GLU B 182 2.673 11.969 3.211 1.00 0.00 C ATOM 945 CG GLU B 182 2.549 11.126 4.482 1.00 0.00 C ATOM 946 CD GLU B 182 3.675 11.493 5.450 1.00 0.00 C ATOM 947 OE1 GLU B 182 3.635 12.587 5.987 1.00 0.00 O ATOM 948 OE2 GLU B 182 4.559 10.673 5.638 1.00 0.00 O ATOM 0 H GLU B 182 3.226 13.079 1.147 1.00 0.00 H new ATOM 0 HA GLU B 182 4.572 11.009 2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 182 3.029 12.969 3.459 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.696 12.085 2.742 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.581 11.298 4.952 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.599 10.066 4.234 1.00 0.00 H new ATOM 955 N ILE B 183 2.159 10.152 0.704 1.00 0.00 N ATOM 956 CA ILE B 183 1.521 8.948 0.089 1.00 0.00 C ATOM 957 C ILE B 183 2.579 8.127 -0.654 1.00 0.00 C ATOM 958 O ILE B 183 2.465 6.921 -0.775 1.00 0.00 O ATOM 959 CB ILE B 183 0.466 9.496 -0.880 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.568 10.309 -0.093 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.239 8.336 -1.588 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.540 10.982 -1.063 1.00 0.00 C ATOM 0 H ILE B 183 1.863 11.046 0.312 1.00 0.00 H new ATOM 0 HA ILE B 183 1.069 8.289 0.831 1.00 0.00 H new ATOM 0 HB ILE B 183 0.952 10.131 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.113 9.658 0.590 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.067 11.062 0.516 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -0.988 8.730 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.493 7.751 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.725 7.700 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.274 11.559 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.989 11.646 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.051 10.221 -1.652 1.00 0.00 H new ATOM 974 N THR B 184 3.609 8.771 -1.142 1.00 0.00 N ATOM 975 CA THR B 184 4.684 8.030 -1.869 1.00 0.00 C ATOM 976 C THR B 184 5.404 7.086 -0.902 1.00 0.00 C ATOM 977 O THR B 184 5.877 6.034 -1.287 1.00 0.00 O ATOM 978 CB THR B 184 5.643 9.107 -2.384 1.00 0.00 C ATOM 979 OG1 THR B 184 4.894 10.197 -2.901 1.00 0.00 O ATOM 980 CG2 THR B 184 6.525 8.521 -3.488 1.00 0.00 C ATOM 0 H THR B 184 3.752 9.778 -1.068 1.00 0.00 H new ATOM 0 HA THR B 184 4.291 7.422 -2.684 1.00 0.00 H new ATOM 0 HB THR B 184 6.273 9.455 -1.566 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.506 10.888 -3.230 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.207 9.288 -3.854 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.099 7.685 -3.089 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.898 8.172 -4.308 1.00 0.00 H new ATOM 988 N MET B 185 5.480 7.458 0.352 1.00 0.00 N ATOM 989 CA MET B 185 6.160 6.583 1.354 1.00 0.00 C ATOM 990 C MET B 185 5.278 5.373 1.668 1.00 0.00 C ATOM 991 O MET B 185 5.750 4.255 1.749 1.00 0.00 O ATOM 992 CB MET B 185 6.339 7.456 2.599 1.00 0.00 C ATOM 993 CG MET B 185 7.685 7.142 3.255 1.00 0.00 C ATOM 994 SD MET B 185 7.632 5.481 3.974 1.00 0.00 S ATOM 995 CE MET B 185 9.311 5.474 4.649 1.00 0.00 C ATOM 0 H MET B 185 5.101 8.329 0.724 1.00 0.00 H new ATOM 0 HA MET B 185 7.115 6.202 0.991 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.293 8.510 2.326 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.528 7.273 3.304 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.485 7.205 2.517 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.905 7.878 4.028 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.499 4.523 5.148 1.00 0.00 H new ATOM 0 HE2 MET B 185 10.029 5.607 3.840 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.418 6.287 5.367 1.00 0.00 H new ATOM 1005 N VAL B 186 3.998 5.592 1.835 1.00 0.00 N ATOM 1006 CA VAL B 186 3.072 4.457 2.134 1.00 0.00 C ATOM 1007 C VAL B 186 2.897 3.598 0.880 1.00 0.00 C ATOM 1008 O VAL B 186 2.704 2.398 0.960 1.00 0.00 O ATOM 1009 CB VAL B 186 1.744 5.109 2.537 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.719 4.024 2.876 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.961 5.998 3.765 1.00 0.00 C ATOM 0 H VAL B 186 3.554 6.508 1.777 1.00 0.00 H new ATOM 0 HA VAL B 186 3.449 3.807 2.924 1.00 0.00 H new ATOM 0 HB VAL B 186 1.375 5.713 1.708 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.224 4.491 3.162 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.560 3.389 2.005 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.090 3.419 3.703 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.016 6.461 4.051 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.333 5.392 4.592 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.689 6.774 3.528 1.00 0.00 H new ATOM 1021 N GLU B 187 2.972 4.205 -0.275 1.00 0.00 N ATOM 1022 CA GLU B 187 2.822 3.434 -1.546 1.00 0.00 C ATOM 1023 C GLU B 187 4.094 2.629 -1.818 1.00 0.00 C ATOM 1024 O GLU B 187 4.056 1.580 -2.432 1.00 0.00 O ATOM 1025 CB GLU B 187 2.607 4.488 -2.634 1.00 0.00 C ATOM 1026 CG GLU B 187 2.045 3.819 -3.890 1.00 0.00 C ATOM 1027 CD GLU B 187 2.569 4.544 -5.132 1.00 0.00 C ATOM 1028 OE1 GLU B 187 2.500 5.761 -5.156 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.030 3.869 -6.036 1.00 0.00 O ATOM 0 H GLU B 187 3.131 5.205 -0.394 1.00 0.00 H new ATOM 0 HA GLU B 187 1.995 2.725 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.920 5.256 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.549 4.985 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.338 2.769 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.955 3.846 -3.873 1.00 0.00 H new ATOM 1036 N GLN B 188 5.219 3.117 -1.358 1.00 0.00 N ATOM 1037 CA GLN B 188 6.503 2.384 -1.579 1.00 0.00 C ATOM 1038 C GLN B 188 6.557 1.143 -0.687 1.00 0.00 C ATOM 1039 O GLN B 188 7.166 0.147 -1.030 1.00 0.00 O ATOM 1040 CB GLN B 188 7.605 3.375 -1.189 1.00 0.00 C ATOM 1041 CG GLN B 188 8.967 2.833 -1.631 1.00 0.00 C ATOM 1042 CD GLN B 188 9.013 2.723 -3.158 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.437 1.718 -3.693 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.595 3.721 -3.887 1.00 0.00 N ATOM 0 H GLN B 188 5.304 3.991 -0.839 1.00 0.00 H new ATOM 0 HA GLN B 188 6.612 2.044 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.419 4.342 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.599 3.535 -0.111 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.762 3.492 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.143 1.856 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN B 188 8.239 4.565 -3.439 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.624 3.657 -4.905 1.00 0.00 H new ATOM 1053 N GLN B 189 5.915 1.196 0.453 1.00 0.00 N ATOM 1054 CA GLN B 189 5.918 0.019 1.373 1.00 0.00 C ATOM 1055 C GLN B 189 5.021 -1.084 0.808 1.00 0.00 C ATOM 1056 O GLN B 189 5.319 -2.258 0.926 1.00 0.00 O ATOM 1057 CB GLN B 189 5.358 0.541 2.699 1.00 0.00 C ATOM 1058 CG GLN B 189 5.994 -0.226 3.860 1.00 0.00 C ATOM 1059 CD GLN B 189 7.487 0.099 3.929 1.00 0.00 C ATOM 1060 OE1 GLN B 189 8.312 -0.792 3.987 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.873 1.345 3.924 1.00 0.00 N ATOM 0 H GLN B 189 5.389 2.004 0.786 1.00 0.00 H new ATOM 0 HA GLN B 189 6.914 -0.407 1.497 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.563 1.607 2.798 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.275 0.422 2.721 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.508 0.044 4.798 1.00 0.00 H new ATOM 0 HG3 GLN B 189 5.850 -1.298 3.724 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.181 2.093 3.875 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.867 1.571 3.969 1.00 0.00 H new ATOM 1070 N ILE B 190 3.930 -0.711 0.190 1.00 0.00 N ATOM 1071 CA ILE B 190 3.010 -1.734 -0.395 1.00 0.00 C ATOM 1072 C ILE B 190 3.660 -2.362 -1.630 1.00 0.00 C ATOM 1073 O ILE B 190 3.445 -3.521 -1.935 1.00 0.00 O ATOM 1074 CB ILE B 190 1.737 -0.968 -0.777 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.142 -0.314 0.475 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.716 -1.938 -1.379 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.061 0.550 0.085 1.00 0.00 C ATOM 0 H ILE B 190 3.636 0.258 0.065 1.00 0.00 H new ATOM 0 HA ILE B 190 2.790 -2.544 0.301 1.00 0.00 H new ATOM 0 HB ILE B 190 1.982 -0.199 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.836 -1.081 1.187 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.896 0.298 0.970 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.188 -1.393 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.138 -2.405 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.470 -2.708 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.481 1.013 0.978 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.259 1.326 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.818 -0.074 -0.391 1.00 0.00 H new ATOM 1089 N SER B 191 4.461 -1.604 -2.333 1.00 0.00 N ATOM 1090 CA SER B 191 5.142 -2.148 -3.546 1.00 0.00 C ATOM 1091 C SER B 191 6.202 -3.167 -3.127 1.00 0.00 C ATOM 1092 O SER B 191 6.394 -4.179 -3.774 1.00 0.00 O ATOM 1093 CB SER B 191 5.794 -0.941 -4.221 1.00 0.00 C ATOM 1094 OG SER B 191 4.796 0.029 -4.514 1.00 0.00 O ATOM 0 H SER B 191 4.673 -0.630 -2.119 1.00 0.00 H new ATOM 0 HA SER B 191 4.450 -2.656 -4.218 1.00 0.00 H new ATOM 0 HB2 SER B 191 6.554 -0.512 -3.569 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.297 -1.250 -5.137 1.00 0.00 H new ATOM 0 HG SER B 191 4.613 0.562 -3.713 1.00 0.00 H new ATOM 1100 N LYS B 192 6.882 -2.909 -2.039 1.00 0.00 N ATOM 1101 CA LYS B 192 7.926 -3.863 -1.560 1.00 0.00 C ATOM 1102 C LYS B 192 7.253 -5.120 -1.005 1.00 0.00 C ATOM 1103 O LYS B 192 7.735 -6.223 -1.184 1.00 0.00 O ATOM 1104 CB LYS B 192 8.679 -3.120 -0.455 1.00 0.00 C ATOM 1105 CG LYS B 192 9.343 -1.870 -1.040 1.00 0.00 C ATOM 1106 CD LYS B 192 10.784 -2.195 -1.438 1.00 0.00 C ATOM 1107 CE LYS B 192 11.633 -0.924 -1.368 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.932 -1.361 -0.785 1.00 0.00 N ATOM 0 H LYS B 192 6.759 -2.077 -1.461 1.00 0.00 H new ATOM 0 HA LYS B 192 8.600 -4.179 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.991 -2.840 0.343 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.432 -3.772 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.785 -1.522 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.330 -1.062 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.193 -2.955 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.810 -2.607 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.771 -0.487 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.157 -0.165 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.569 -0.543 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.770 -1.767 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 13.365 -2.079 -1.401 1.00 0.00 H new ATOM 1122 N LEU B 193 6.136 -4.956 -0.342 1.00 0.00 N ATOM 1123 CA LEU B 193 5.415 -6.136 0.221 1.00 0.00 C ATOM 1124 C LEU B 193 4.690 -6.907 -0.891 1.00 0.00 C ATOM 1125 O LEU B 193 4.232 -8.015 -0.685 1.00 0.00 O ATOM 1126 CB LEU B 193 4.407 -5.553 1.215 1.00 0.00 C ATOM 1127 CG LEU B 193 4.376 -6.411 2.481 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.135 -5.515 3.697 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.246 -7.439 2.373 1.00 0.00 C ATOM 0 H LEU B 193 5.692 -4.054 -0.167 1.00 0.00 H new ATOM 0 HA LEU B 193 6.097 -6.840 0.697 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.680 -4.528 1.465 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.415 -5.518 0.764 1.00 0.00 H new ATOM 0 HG LEU B 193 5.329 -6.929 2.593 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.113 -6.125 4.600 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.938 -4.782 3.774 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.182 -4.998 3.585 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.223 -8.051 3.275 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.293 -6.922 2.261 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.416 -8.077 1.506 1.00 0.00 H new ATOM 1141 N LYS B 194 4.589 -6.338 -2.071 1.00 0.00 N ATOM 1142 CA LYS B 194 3.909 -7.050 -3.191 1.00 0.00 C ATOM 1143 C LYS B 194 4.934 -7.889 -3.957 1.00 0.00 C ATOM 1144 O LYS B 194 4.607 -8.910 -4.533 1.00 0.00 O ATOM 1145 CB LYS B 194 3.338 -5.944 -4.080 1.00 0.00 C ATOM 1146 CG LYS B 194 2.569 -6.570 -5.245 1.00 0.00 C ATOM 1147 CD LYS B 194 1.232 -7.115 -4.741 1.00 0.00 C ATOM 1148 CE LYS B 194 0.141 -6.060 -4.941 1.00 0.00 C ATOM 1149 NZ LYS B 194 -0.358 -6.282 -6.327 1.00 0.00 N ATOM 0 H LYS B 194 4.949 -5.412 -2.302 1.00 0.00 H new ATOM 0 HA LYS B 194 3.127 -7.727 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.678 -5.300 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.144 -5.315 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.400 -5.827 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS B 194 3.156 -7.373 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.973 -8.027 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS B 194 1.309 -7.378 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.659 -6.176 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS B 194 0.539 -5.052 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.110 -5.596 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 0.424 -6.159 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -0.737 -7.247 -6.409 1.00 0.00 H new ATOM 1163 N LYS B 195 6.174 -7.465 -3.959 1.00 0.00 N ATOM 1164 CA LYS B 195 7.232 -8.235 -4.675 1.00 0.00 C ATOM 1165 C LYS B 195 7.638 -9.455 -3.847 1.00 0.00 C ATOM 1166 O LYS B 195 7.985 -10.490 -4.387 1.00 0.00 O ATOM 1167 CB LYS B 195 8.406 -7.265 -4.819 1.00 0.00 C ATOM 1168 CG LYS B 195 9.339 -7.747 -5.935 1.00 0.00 C ATOM 1169 CD LYS B 195 9.008 -7.012 -7.238 1.00 0.00 C ATOM 1170 CE LYS B 195 8.092 -7.881 -8.105 1.00 0.00 C ATOM 1171 NZ LYS B 195 8.994 -8.497 -9.117 1.00 0.00 N ATOM 0 H LYS B 195 6.497 -6.617 -3.494 1.00 0.00 H new ATOM 0 HA LYS B 195 6.894 -8.603 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.038 -6.264 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.953 -7.198 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.377 -7.566 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.229 -8.822 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS B 195 8.521 -6.062 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.925 -6.782 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS B 195 7.589 -8.642 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS B 195 7.314 -7.283 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 8.440 -9.108 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 9.454 -7.748 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 9.720 -9.065 -8.635 1.00 0.00 H new ATOM 1185 N LYS B 196 7.588 -9.347 -2.540 1.00 0.00 N ATOM 1186 CA LYS B 196 7.962 -10.510 -1.682 1.00 0.00 C ATOM 1187 C LYS B 196 6.871 -11.585 -1.766 1.00 0.00 C ATOM 1188 O LYS B 196 7.135 -12.763 -1.614 1.00 0.00 O ATOM 1189 CB LYS B 196 8.090 -9.948 -0.257 1.00 0.00 C ATOM 1190 CG LYS B 196 6.738 -9.424 0.233 1.00 0.00 C ATOM 1191 CD LYS B 196 6.013 -10.526 1.009 1.00 0.00 C ATOM 1192 CE LYS B 196 5.005 -9.895 1.971 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.996 -10.791 3.161 1.00 0.00 N ATOM 0 H LYS B 196 7.305 -8.507 -2.035 1.00 0.00 H new ATOM 0 HA LYS B 196 8.893 -10.981 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.452 -10.725 0.416 1.00 0.00 H new ATOM 0 HB3 LYS B 196 8.826 -9.144 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS B 196 6.884 -8.552 0.870 1.00 0.00 H new ATOM 0 HG3 LYS B 196 6.132 -9.102 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS B 196 5.502 -11.196 0.318 1.00 0.00 H new ATOM 0 HD3 LYS B 196 6.733 -11.129 1.563 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.299 -8.881 2.242 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.015 -9.829 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.244 -10.493 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.822 -11.770 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.916 -10.737 3.643 1.00 0.00 H new ATOM 1207 N GLN B 197 5.650 -11.181 -2.018 1.00 0.00 N ATOM 1208 CA GLN B 197 4.537 -12.172 -2.125 1.00 0.00 C ATOM 1209 C GLN B 197 4.731 -13.031 -3.377 1.00 0.00 C ATOM 1210 O GLN B 197 4.348 -14.185 -3.414 1.00 0.00 O ATOM 1211 CB GLN B 197 3.260 -11.336 -2.240 1.00 0.00 C ATOM 1212 CG GLN B 197 2.074 -12.131 -1.689 1.00 0.00 C ATOM 1213 CD GLN B 197 1.811 -13.342 -2.584 1.00 0.00 C ATOM 1214 OE1 GLN B 197 1.383 -13.198 -3.712 1.00 0.00 O ATOM 1215 NE2 GLN B 197 2.050 -14.541 -2.126 1.00 0.00 N ATOM 0 H GLN B 197 5.377 -10.208 -2.154 1.00 0.00 H new ATOM 0 HA GLN B 197 4.498 -12.847 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.373 -10.403 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.080 -11.070 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN B 197 2.283 -12.457 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.187 -11.498 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN B 197 2.409 -14.663 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN B 197 1.877 -15.356 -2.715 1.00 0.00 H new ATOM 1224 N GLN B 198 5.330 -12.471 -4.397 1.00 0.00 N ATOM 1225 CA GLN B 198 5.564 -13.247 -5.652 1.00 0.00 C ATOM 1226 C GLN B 198 6.485 -14.432 -5.368 1.00 0.00 C ATOM 1227 O GLN B 198 6.246 -15.538 -5.815 1.00 0.00 O ATOM 1228 CB GLN B 198 6.238 -12.266 -6.615 1.00 0.00 C ATOM 1229 CG GLN B 198 5.719 -12.505 -8.035 1.00 0.00 C ATOM 1230 CD GLN B 198 4.295 -11.961 -8.153 1.00 0.00 C ATOM 1231 OE1 GLN B 198 3.399 -12.658 -8.588 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.045 -10.735 -7.782 1.00 0.00 N ATOM 0 H GLN B 198 5.667 -11.509 -4.415 1.00 0.00 H new ATOM 0 HA GLN B 198 4.639 -13.648 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.032 -11.240 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.320 -12.396 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN B 198 6.369 -12.014 -8.759 1.00 0.00 H new ATOM 0 HG3 GLN B 198 5.733 -13.570 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.796 -10.149 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.098 -10.362 -7.857 1.00 0.00 H new ATOM 1241 N GLN B 199 7.531 -14.203 -4.621 1.00 0.00 N ATOM 1242 CA GLN B 199 8.480 -15.312 -4.292 1.00 0.00 C ATOM 1243 C GLN B 199 7.753 -16.411 -3.515 1.00 0.00 C ATOM 1244 O GLN B 199 7.964 -17.588 -3.744 1.00 0.00 O ATOM 1245 CB GLN B 199 9.568 -14.671 -3.427 1.00 0.00 C ATOM 1246 CG GLN B 199 10.728 -14.219 -4.314 1.00 0.00 C ATOM 1247 CD GLN B 199 11.633 -13.268 -3.527 1.00 0.00 C ATOM 1248 OE1 GLN B 199 12.490 -13.702 -2.784 1.00 0.00 O ATOM 1249 NE2 GLN B 199 11.475 -11.979 -3.660 1.00 0.00 N ATOM 0 H GLN B 199 7.772 -13.295 -4.223 1.00 0.00 H new ATOM 0 HA GLN B 199 8.898 -15.775 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.160 -13.819 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.922 -15.384 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.299 -15.084 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.346 -13.720 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.755 -11.615 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN B 199 12.072 -11.336 -3.140 1.00 0.00 H new ATOM 1258 N LEU B 200 6.895 -16.033 -2.602 1.00 0.00 N ATOM 1259 CA LEU B 200 6.143 -17.051 -1.808 1.00 0.00 C ATOM 1260 C LEU B 200 5.120 -17.753 -2.704 1.00 0.00 C ATOM 1261 O LEU B 200 4.941 -18.954 -2.633 1.00 0.00 O ATOM 1262 CB LEU B 200 5.439 -16.262 -0.702 1.00 0.00 C ATOM 1263 CG LEU B 200 4.724 -17.229 0.242 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.756 -17.982 1.082 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.792 -16.442 1.166 1.00 0.00 C ATOM 0 H LEU B 200 6.683 -15.062 -2.372 1.00 0.00 H new ATOM 0 HA LEU B 200 6.795 -17.821 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU B 200 6.165 -15.667 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.722 -15.566 -1.138 1.00 0.00 H new ATOM 0 HG LEU B 200 4.142 -17.942 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.245 -18.671 1.755 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.421 -18.543 0.425 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.339 -17.270 1.666 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.281 -17.130 1.840 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.375 -15.729 1.749 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.055 -15.906 0.568 1.00 0.00 H new ATOM 1277 N GLU B 201 4.458 -17.009 -3.553 1.00 0.00 N ATOM 1278 CA GLU B 201 3.448 -17.625 -4.466 1.00 0.00 C ATOM 1279 C GLU B 201 4.163 -18.399 -5.577 1.00 0.00 C ATOM 1280 O GLU B 201 3.654 -19.381 -6.086 1.00 0.00 O ATOM 1281 CB GLU B 201 2.652 -16.447 -5.048 1.00 0.00 C ATOM 1282 CG GLU B 201 1.157 -16.656 -4.794 1.00 0.00 C ATOM 1283 CD GLU B 201 0.522 -17.340 -6.005 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.824 -16.933 -7.116 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.258 -18.256 -5.803 1.00 0.00 O ATOM 0 H GLU B 201 4.573 -16.001 -3.654 1.00 0.00 H new ATOM 0 HA GLU B 201 2.795 -18.329 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU B 201 2.981 -15.513 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.840 -16.362 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.011 -17.265 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU B 201 0.672 -15.698 -4.609 1.00 0.00 H new