USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -153:sc= 0.943 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.812 K(o=1.8,f=-0.63) USER MOD Set 1.3: B 140 GLN :FLIP amide:sc= 0.0832 F(o=1,f=1.8) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.436 USER MOD Set 2.2: B 127 LYS NZ :NH3+ -159:sc= 0.977 (180deg=1.11) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.772 (180deg=0.673) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.066) USER MOD Single : A 31 MET CE :methyl 150:sc= -0.242 (180deg=-0.316) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot -67:sc= 0.497 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 128 ASN : amide:sc= 0.0939 K(o=0.094,f=-3.2!) USER MOD Single : B 129 GLN : amide:sc= 0.593 K(o=0.59,f=-4.1!) USER MOD Single : B 131 MET CE :methyl -167:sc= -0.168 (180deg=-0.29) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.294 7.437 -2.408 1.00 0.00 N ATOM 165 CA TRP A 14 -13.033 7.097 -3.077 1.00 0.00 C ATOM 166 C TRP A 14 -12.260 6.004 -2.330 1.00 0.00 C ATOM 167 O TRP A 14 -11.580 5.197 -2.962 1.00 0.00 O ATOM 168 CB TRP A 14 -12.162 8.357 -3.274 1.00 0.00 C ATOM 169 CG TRP A 14 -11.422 8.883 -2.071 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.838 9.899 -1.283 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.149 8.442 -1.494 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.922 10.118 -0.270 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.865 9.241 -0.346 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.203 7.445 -1.823 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.717 9.050 0.445 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.052 7.239 -1.035 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.808 8.036 0.100 1.00 0.00 C ATOM 0 HA TRP A 14 -13.284 6.694 -4.058 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.430 8.142 -4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.803 9.154 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.751 10.458 -1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.018 10.840 0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.365 6.829 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.537 9.675 1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.351 6.463 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.927 7.869 0.702 1.00 0.00 H new ATOM 188 N LYS A 15 -12.387 5.941 -0.996 1.00 0.00 N ATOM 189 CA LYS A 15 -11.655 5.005 -0.125 1.00 0.00 C ATOM 190 C LYS A 15 -12.034 3.543 -0.381 1.00 0.00 C ATOM 191 O LYS A 15 -11.160 2.681 -0.456 1.00 0.00 O ATOM 192 CB LYS A 15 -11.909 5.376 1.347 1.00 0.00 C ATOM 193 CG LYS A 15 -11.391 6.780 1.697 1.00 0.00 C ATOM 194 CD LYS A 15 -11.740 7.141 3.142 1.00 0.00 C ATOM 195 CE LYS A 15 -11.231 8.551 3.461 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.605 8.959 4.841 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.017 6.554 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.594 5.096 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.978 5.325 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.425 4.642 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.311 6.819 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.827 7.513 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.819 7.092 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.292 6.419 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.147 8.583 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.645 9.261 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.247 9.917 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.641 8.951 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.189 8.294 5.524 1.00 0.00 H new ATOM 210 N ASP A 16 -13.321 3.265 -0.568 1.00 0.00 N ATOM 211 CA ASP A 16 -13.821 1.917 -0.875 1.00 0.00 C ATOM 212 C ASP A 16 -13.370 1.442 -2.266 1.00 0.00 C ATOM 213 O ASP A 16 -12.975 0.289 -2.434 1.00 0.00 O ATOM 214 CB ASP A 16 -15.356 1.884 -0.777 1.00 0.00 C ATOM 215 CG ASP A 16 -15.927 2.199 0.620 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.134 2.530 0.705 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.205 2.090 1.643 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.056 3.970 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.397 1.234 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.766 2.599 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.703 0.896 -1.081 1.00 0.00 H new ATOM 222 N ASP A 17 -13.358 2.338 -3.260 1.00 0.00 N ATOM 223 CA ASP A 17 -12.806 2.058 -4.593 1.00 0.00 C ATOM 224 C ASP A 17 -11.275 1.889 -4.572 1.00 0.00 C ATOM 225 O ASP A 17 -10.730 1.079 -5.330 1.00 0.00 O ATOM 226 CB ASP A 17 -13.202 3.179 -5.575 1.00 0.00 C ATOM 227 CG ASP A 17 -14.716 3.308 -5.841 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.492 2.354 -5.585 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.130 4.369 -6.376 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.732 3.282 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.230 1.111 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.835 4.129 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.695 3.006 -6.524 1.00 0.00 H new ATOM 234 N TYR A 18 -10.569 2.592 -3.675 1.00 0.00 N ATOM 235 CA TYR A 18 -9.120 2.439 -3.491 1.00 0.00 C ATOM 236 C TYR A 18 -8.780 1.070 -2.881 1.00 0.00 C ATOM 237 O TYR A 18 -7.932 0.361 -3.412 1.00 0.00 O ATOM 238 CB TYR A 18 -8.557 3.603 -2.659 1.00 0.00 C ATOM 239 CG TYR A 18 -7.107 3.921 -2.964 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.094 3.720 -2.006 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.789 4.453 -4.226 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.755 4.034 -2.324 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.454 4.755 -4.553 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.434 4.536 -3.605 1.00 0.00 C ATOM 245 OH TYR A 18 -3.145 4.822 -3.928 1.00 0.00 O ATOM 0 H TYR A 18 -10.989 3.285 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.640 2.475 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.161 4.492 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.652 3.361 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.341 3.327 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.573 4.631 -4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.977 3.891 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.212 5.153 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.105 5.156 -4.848 1.00 0.00 H new ATOM 255 N LEU A 19 -9.496 0.626 -1.843 1.00 0.00 N ATOM 256 CA LEU A 19 -9.371 -0.738 -1.313 1.00 0.00 C ATOM 257 C LEU A 19 -9.703 -1.788 -2.390 1.00 0.00 C ATOM 258 O LEU A 19 -8.936 -2.737 -2.582 1.00 0.00 O ATOM 259 CB LEU A 19 -10.283 -0.900 -0.077 1.00 0.00 C ATOM 260 CG LEU A 19 -9.554 -0.667 1.256 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.919 0.716 1.409 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.522 -0.875 2.420 1.00 0.00 C ATOM 0 H LEU A 19 -10.178 1.200 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.337 -0.903 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.115 -0.200 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.709 -1.903 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.740 -1.392 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.429 0.786 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.183 0.868 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.692 1.481 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.999 -0.708 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.350 -0.171 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.908 -1.894 2.395 1.00 0.00 H new ATOM 274 N SER A 20 -10.788 -1.593 -3.144 1.00 0.00 N ATOM 275 CA SER A 20 -11.217 -2.517 -4.198 1.00 0.00 C ATOM 276 C SER A 20 -10.137 -2.720 -5.272 1.00 0.00 C ATOM 277 O SER A 20 -9.857 -3.864 -5.654 1.00 0.00 O ATOM 278 CB SER A 20 -12.521 -2.005 -4.828 1.00 0.00 C ATOM 279 OG SER A 20 -13.014 -2.895 -5.812 1.00 0.00 O ATOM 0 H SER A 20 -11.399 -0.783 -3.039 1.00 0.00 H new ATOM 0 HA SER A 20 -11.389 -3.491 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.272 -1.871 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.348 -1.027 -5.276 1.00 0.00 H new ATOM 0 HG SER A 20 -13.845 -2.538 -6.190 1.00 0.00 H new ATOM 285 N ARG A 21 -9.474 -1.641 -5.721 1.00 0.00 N ATOM 286 CA ARG A 21 -8.411 -1.701 -6.743 1.00 0.00 C ATOM 287 C ARG A 21 -7.050 -2.160 -6.204 1.00 0.00 C ATOM 288 O ARG A 21 -6.365 -2.923 -6.886 1.00 0.00 O ATOM 289 CB ARG A 21 -8.350 -0.368 -7.523 1.00 0.00 C ATOM 290 CG ARG A 21 -7.552 0.762 -6.858 1.00 0.00 C ATOM 291 CD ARG A 21 -7.904 2.159 -7.384 1.00 0.00 C ATOM 292 NE ARG A 21 -7.736 2.277 -8.852 1.00 0.00 N ATOM 293 CZ ARG A 21 -8.687 2.340 -9.766 1.00 0.00 C ATOM 294 NH1 ARG A 21 -9.954 2.282 -9.456 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -8.385 2.465 -11.026 1.00 0.00 N ATOM 0 H ARG A 21 -9.660 -0.696 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.680 -2.489 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.918 -0.563 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.369 -0.019 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.727 0.734 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.488 0.583 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.936 2.393 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.274 2.898 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.776 2.314 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.236 2.185 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.661 2.334 -10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.408 2.515 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.126 2.513 -11.726 1.00 0.00 H new ATOM 309 N LEU A 22 -6.685 -1.787 -4.973 1.00 0.00 N ATOM 310 CA LEU A 22 -5.427 -2.199 -4.316 1.00 0.00 C ATOM 311 C LEU A 22 -5.311 -3.729 -4.164 1.00 0.00 C ATOM 312 O LEU A 22 -4.230 -4.284 -4.374 1.00 0.00 O ATOM 313 CB LEU A 22 -5.309 -1.520 -2.938 1.00 0.00 C ATOM 314 CG LEU A 22 -4.469 -0.229 -2.888 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.658 0.779 -4.028 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.780 0.480 -1.566 1.00 0.00 C ATOM 0 H LEU A 22 -7.261 -1.180 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.607 -1.879 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.313 -1.290 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.879 -2.236 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.437 -0.564 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.007 1.638 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.406 0.306 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.696 1.110 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.199 1.400 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.843 0.718 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.520 -0.173 -0.733 1.00 0.00 H new ATOM 328 N SER A 23 -6.417 -4.419 -3.863 1.00 0.00 N ATOM 329 CA SER A 23 -6.448 -5.887 -3.729 1.00 0.00 C ATOM 330 C SER A 23 -6.110 -6.638 -5.036 1.00 0.00 C ATOM 331 O SER A 23 -5.696 -7.801 -4.995 1.00 0.00 O ATOM 332 CB SER A 23 -7.821 -6.317 -3.198 1.00 0.00 C ATOM 333 OG SER A 23 -7.810 -7.679 -2.791 1.00 0.00 O ATOM 0 H SER A 23 -7.322 -3.976 -3.704 1.00 0.00 H new ATOM 0 HA SER A 23 -5.664 -6.161 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.103 -5.685 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.575 -6.172 -3.972 1.00 0.00 H new ATOM 0 HG SER A 23 -8.697 -7.927 -2.455 1.00 0.00 H new ATOM 339 N ARG A 24 -6.249 -5.994 -6.208 1.00 0.00 N ATOM 340 CA ARG A 24 -5.982 -6.597 -7.533 1.00 0.00 C ATOM 341 C ARG A 24 -4.490 -6.704 -7.883 1.00 0.00 C ATOM 342 O ARG A 24 -4.132 -7.517 -8.740 1.00 0.00 O ATOM 343 CB ARG A 24 -6.722 -5.818 -8.643 1.00 0.00 C ATOM 344 CG ARG A 24 -8.227 -5.603 -8.417 1.00 0.00 C ATOM 345 CD ARG A 24 -9.031 -6.887 -8.152 1.00 0.00 C ATOM 346 NE ARG A 24 -8.964 -7.839 -9.278 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.692 -7.827 -10.381 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.605 -6.923 -10.601 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.513 -8.734 -11.302 1.00 0.00 N ATOM 0 H ARG A 24 -6.555 -5.023 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.360 -7.618 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.247 -4.843 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.587 -6.349 -9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.360 -4.927 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.644 -5.105 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.653 -7.369 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.072 -6.627 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.279 -8.590 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.777 -6.193 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.148 -6.946 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.807 -9.459 -11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.079 -8.718 -12.150 1.00 0.00 H new ATOM 363 N LEU A 25 -3.622 -5.898 -7.261 1.00 0.00 N ATOM 364 CA LEU A 25 -2.180 -5.876 -7.538 1.00 0.00 C ATOM 365 C LEU A 25 -1.459 -7.124 -6.991 1.00 0.00 C ATOM 366 O LEU A 25 -1.803 -7.651 -5.928 1.00 0.00 O ATOM 367 CB LEU A 25 -1.538 -4.579 -6.994 1.00 0.00 C ATOM 368 CG LEU A 25 -1.766 -3.268 -7.773 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.477 -3.396 -9.269 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.178 -2.710 -7.624 1.00 0.00 C ATOM 0 H LEU A 25 -3.905 -5.233 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.060 -5.893 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.902 -4.429 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.463 -4.743 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.053 -2.580 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.657 -2.438 -9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.437 -3.688 -9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.131 -4.153 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.267 -1.788 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.898 -3.439 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.379 -2.504 -6.573 1.00 0.00 H new ATOM 382 N SER A 26 -0.419 -7.562 -7.710 1.00 0.00 N ATOM 383 CA SER A 26 0.538 -8.588 -7.266 1.00 0.00 C ATOM 384 C SER A 26 1.376 -8.105 -6.065 1.00 0.00 C ATOM 385 O SER A 26 1.456 -6.900 -5.803 1.00 0.00 O ATOM 386 CB SER A 26 1.426 -8.993 -8.449 1.00 0.00 C ATOM 387 OG SER A 26 2.325 -10.031 -8.095 1.00 0.00 O ATOM 0 H SER A 26 -0.212 -7.204 -8.643 1.00 0.00 H new ATOM 0 HA SER A 26 -0.015 -9.462 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.800 -9.320 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.988 -8.126 -8.796 1.00 0.00 H new ATOM 0 HG SER A 26 2.875 -10.267 -8.871 1.00 0.00 H new ATOM 393 N LYS A 27 2.032 -9.025 -5.343 1.00 0.00 N ATOM 394 CA LYS A 27 2.838 -8.774 -4.126 1.00 0.00 C ATOM 395 C LYS A 27 3.915 -7.704 -4.334 1.00 0.00 C ATOM 396 O LYS A 27 4.121 -6.838 -3.491 1.00 0.00 O ATOM 397 CB LYS A 27 3.482 -10.102 -3.686 1.00 0.00 C ATOM 398 CG LYS A 27 3.987 -10.126 -2.236 1.00 0.00 C ATOM 399 CD LYS A 27 2.872 -10.075 -1.174 1.00 0.00 C ATOM 400 CE LYS A 27 3.496 -10.173 0.228 1.00 0.00 C ATOM 401 NZ LYS A 27 2.476 -10.107 1.307 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.018 -10.012 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 27 2.173 -8.390 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.754 -10.903 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.318 -10.321 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.576 -11.030 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.657 -9.280 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.307 -9.148 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.169 -10.894 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.050 -11.108 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.214 -9.364 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.949 -9.972 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.833 -9.309 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.932 -10.993 1.325 1.00 0.00 H new ATOM 415 N ASN A 28 4.575 -7.743 -5.487 1.00 0.00 N ATOM 416 CA ASN A 28 5.585 -6.761 -5.889 1.00 0.00 C ATOM 417 C ASN A 28 4.963 -5.396 -6.257 1.00 0.00 C ATOM 418 O ASN A 28 5.513 -4.346 -5.918 1.00 0.00 O ATOM 419 CB ASN A 28 6.360 -7.383 -7.062 1.00 0.00 C ATOM 420 CG ASN A 28 7.278 -8.514 -6.622 1.00 0.00 C ATOM 421 OD1 ASN A 28 6.878 -9.661 -6.495 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.535 -8.221 -6.365 1.00 0.00 N ATOM 0 H ASN A 28 4.422 -8.471 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 28 6.257 -6.543 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.653 -7.760 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.951 -6.610 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.177 -8.952 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.867 -7.263 -6.472 1.00 0.00 H new ATOM 429 N GLN A 29 3.809 -5.398 -6.925 1.00 0.00 N ATOM 430 CA GLN A 29 3.139 -4.186 -7.412 1.00 0.00 C ATOM 431 C GLN A 29 2.439 -3.389 -6.298 1.00 0.00 C ATOM 432 O GLN A 29 2.516 -2.159 -6.289 1.00 0.00 O ATOM 433 CB GLN A 29 2.157 -4.547 -8.538 1.00 0.00 C ATOM 434 CG GLN A 29 2.812 -5.227 -9.753 1.00 0.00 C ATOM 435 CD GLN A 29 3.930 -4.394 -10.384 1.00 0.00 C ATOM 436 OE1 GLN A 29 5.090 -4.785 -10.427 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.640 -3.200 -10.865 1.00 0.00 N ATOM 0 H GLN A 29 3.303 -6.255 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 29 3.913 -3.527 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.389 -5.208 -8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.654 -3.639 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.216 -6.192 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.048 -5.426 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.679 -2.859 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.377 -2.618 -11.265 1.00 0.00 H new ATOM 446 N LEU A 30 1.817 -4.056 -5.315 1.00 0.00 N ATOM 447 CA LEU A 30 1.271 -3.383 -4.125 1.00 0.00 C ATOM 448 C LEU A 30 2.371 -2.707 -3.290 1.00 0.00 C ATOM 449 O LEU A 30 2.141 -1.644 -2.712 1.00 0.00 O ATOM 450 CB LEU A 30 0.392 -4.347 -3.292 1.00 0.00 C ATOM 451 CG LEU A 30 1.081 -5.574 -2.657 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.714 -5.310 -1.282 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.060 -6.701 -2.472 1.00 0.00 C ATOM 0 H LEU A 30 1.679 -5.067 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 30 0.620 -2.579 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.073 -3.771 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.412 -4.708 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 30 1.882 -5.838 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.175 -6.226 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.473 -4.533 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.944 -4.983 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.550 -7.566 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.744 -6.360 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.353 -6.980 -3.441 1.00 0.00 H new ATOM 465 N MET A 31 3.578 -3.282 -3.260 1.00 0.00 N ATOM 466 CA MET A 31 4.726 -2.671 -2.586 1.00 0.00 C ATOM 467 C MET A 31 5.303 -1.497 -3.376 1.00 0.00 C ATOM 468 O MET A 31 5.615 -0.472 -2.773 1.00 0.00 O ATOM 469 CB MET A 31 5.810 -3.711 -2.286 1.00 0.00 C ATOM 470 CG MET A 31 5.353 -4.660 -1.178 1.00 0.00 C ATOM 471 SD MET A 31 6.676 -5.674 -0.466 1.00 0.00 S ATOM 472 CE MET A 31 6.786 -6.976 -1.713 1.00 0.00 C ATOM 0 H MET A 31 3.785 -4.179 -3.700 1.00 0.00 H new ATOM 0 HA MET A 31 4.361 -2.274 -1.639 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.036 -4.279 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.730 -3.209 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.893 -4.075 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.581 -5.319 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.808 -7.353 -1.756 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.109 -7.789 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.507 -6.572 -2.686 1.00 0.00 H new ATOM 482 N ALA A 32 5.377 -1.589 -4.706 1.00 0.00 N ATOM 483 CA ALA A 32 5.760 -0.457 -5.560 1.00 0.00 C ATOM 484 C ALA A 32 4.787 0.731 -5.407 1.00 0.00 C ATOM 485 O ALA A 32 5.219 1.881 -5.306 1.00 0.00 O ATOM 486 CB ALA A 32 5.844 -0.950 -7.009 1.00 0.00 C ATOM 0 H ALA A 32 5.174 -2.445 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 32 6.735 -0.081 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.128 -0.122 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.591 -1.741 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.873 -1.338 -7.318 1.00 0.00 H new ATOM 492 N LEU A 33 3.477 0.457 -5.321 1.00 0.00 N ATOM 493 CA LEU A 33 2.427 1.449 -5.061 1.00 0.00 C ATOM 494 C LEU A 33 2.621 2.118 -3.689 1.00 0.00 C ATOM 495 O LEU A 33 2.702 3.346 -3.612 1.00 0.00 O ATOM 496 CB LEU A 33 1.060 0.747 -5.234 1.00 0.00 C ATOM 497 CG LEU A 33 -0.233 1.576 -5.070 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.564 1.929 -3.618 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.214 2.846 -5.919 1.00 0.00 C ATOM 0 H LEU A 33 3.110 -0.488 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 33 2.477 2.272 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.042 0.302 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.018 -0.073 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.025 0.919 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.485 2.511 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.693 1.013 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.250 2.515 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.143 3.396 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.629 3.470 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.114 2.579 -6.971 1.00 0.00 H new ATOM 511 N ALA A 34 2.750 1.333 -2.617 1.00 0.00 N ATOM 512 CA ALA A 34 2.958 1.855 -1.265 1.00 0.00 C ATOM 513 C ALA A 34 4.271 2.648 -1.125 1.00 0.00 C ATOM 514 O ALA A 34 4.289 3.694 -0.477 1.00 0.00 O ATOM 515 CB ALA A 34 2.882 0.684 -0.284 1.00 0.00 C ATOM 0 H ALA A 34 2.713 0.315 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 34 2.173 2.576 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.034 1.050 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.902 0.212 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.655 -0.045 -0.527 1.00 0.00 H new ATOM 521 N LEU A 35 5.356 2.217 -1.778 1.00 0.00 N ATOM 522 CA LEU A 35 6.646 2.919 -1.805 1.00 0.00 C ATOM 523 C LEU A 35 6.540 4.268 -2.551 1.00 0.00 C ATOM 524 O LEU A 35 7.007 5.293 -2.046 1.00 0.00 O ATOM 525 CB LEU A 35 7.689 1.961 -2.421 1.00 0.00 C ATOM 526 CG LEU A 35 9.188 2.301 -2.283 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.644 3.540 -3.056 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.592 2.471 -0.821 1.00 0.00 C ATOM 0 H LEU A 35 5.363 1.350 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 35 6.963 3.182 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.533 0.976 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.468 1.873 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 35 9.689 1.441 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.711 3.696 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.454 3.396 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.093 4.412 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.654 2.710 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.013 3.280 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.398 1.545 -0.280 1.00 0.00 H new ATOM 540 N LYS A 36 5.859 4.303 -3.707 1.00 0.00 N ATOM 541 CA LYS A 36 5.565 5.525 -4.481 1.00 0.00 C ATOM 542 C LYS A 36 4.743 6.534 -3.671 1.00 0.00 C ATOM 543 O LYS A 36 5.009 7.737 -3.735 1.00 0.00 O ATOM 544 CB LYS A 36 4.862 5.126 -5.795 1.00 0.00 C ATOM 545 CG LYS A 36 4.582 6.323 -6.724 1.00 0.00 C ATOM 546 CD LYS A 36 3.998 5.899 -8.081 1.00 0.00 C ATOM 547 CE LYS A 36 2.628 5.224 -7.936 1.00 0.00 C ATOM 548 NZ LYS A 36 2.042 4.891 -9.259 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.486 3.460 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 36 6.501 6.031 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.480 4.401 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.921 4.630 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.888 7.005 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.508 6.874 -6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.904 6.774 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.688 5.214 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.730 4.315 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.952 5.884 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.116 4.436 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.922 5.762 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.676 4.241 -9.766 1.00 0.00 H new ATOM 562 N LEU A 37 3.777 6.072 -2.878 1.00 0.00 N ATOM 563 CA LEU A 37 3.041 6.902 -1.914 1.00 0.00 C ATOM 564 C LEU A 37 3.944 7.392 -0.767 1.00 0.00 C ATOM 565 O LEU A 37 3.862 8.564 -0.391 1.00 0.00 O ATOM 566 CB LEU A 37 1.852 6.096 -1.351 1.00 0.00 C ATOM 567 CG LEU A 37 0.497 6.336 -2.042 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.526 6.156 -3.554 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.524 5.355 -1.458 1.00 0.00 C ATOM 0 H LEU A 37 3.476 5.097 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 37 2.677 7.787 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.091 5.035 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.746 6.331 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 37 0.232 7.377 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.467 6.343 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.236 6.859 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.830 5.137 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.492 5.510 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.190 4.333 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.618 5.523 -0.385 1.00 0.00 H new ATOM 581 N LYS A 38 4.812 6.523 -0.231 1.00 0.00 N ATOM 582 CA LYS A 38 5.662 6.832 0.925 1.00 0.00 C ATOM 583 C LYS A 38 6.685 7.926 0.625 1.00 0.00 C ATOM 584 O LYS A 38 6.762 8.898 1.373 1.00 0.00 O ATOM 585 CB LYS A 38 6.324 5.552 1.469 1.00 0.00 C ATOM 586 CG LYS A 38 7.000 5.738 2.841 1.00 0.00 C ATOM 587 CD LYS A 38 6.009 6.178 3.931 1.00 0.00 C ATOM 588 CE LYS A 38 6.648 6.153 5.322 1.00 0.00 C ATOM 589 NZ LYS A 38 5.675 6.595 6.352 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.944 5.578 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 38 5.018 7.235 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.569 4.769 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.068 5.205 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.472 4.802 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.793 6.481 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.652 7.184 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.139 5.521 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.995 5.145 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.523 6.803 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.186 7.006 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.039 7.310 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.117 5.779 6.675 1.00 0.00 H new ATOM 603 N GLN A 39 7.410 7.831 -0.489 1.00 0.00 N ATOM 604 CA GLN A 39 8.399 8.850 -0.884 1.00 0.00 C ATOM 605 C GLN A 39 7.741 10.225 -1.134 1.00 0.00 C ATOM 606 O GLN A 39 8.336 11.256 -0.818 1.00 0.00 O ATOM 607 CB GLN A 39 9.219 8.362 -2.091 1.00 0.00 C ATOM 608 CG GLN A 39 8.426 8.234 -3.400 1.00 0.00 C ATOM 609 CD GLN A 39 9.297 7.783 -4.565 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.544 6.497 -4.703 1.00 0.00 O flip ATOM 611 NE2 GLN A 39 9.772 8.572 -5.372 1.00 0.00 N flip ATOM 0 H GLN A 39 7.334 7.053 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 39 9.090 8.995 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.048 9.051 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.653 7.392 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.613 7.522 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.970 9.194 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.589 9.571 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.351 8.230 -6.139 1.00 0.00 H new ATOM 620 N GLN A 40 6.497 10.255 -1.632 1.00 0.00 N ATOM 621 CA GLN A 40 5.728 11.491 -1.793 1.00 0.00 C ATOM 622 C GLN A 40 5.372 12.123 -0.439 1.00 0.00 C ATOM 623 O GLN A 40 5.670 13.299 -0.225 1.00 0.00 O ATOM 624 CB GLN A 40 4.468 11.240 -2.630 1.00 0.00 C ATOM 625 CG GLN A 40 4.795 11.165 -4.129 1.00 0.00 C ATOM 626 CD GLN A 40 3.557 10.814 -4.950 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.917 11.656 -5.564 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.153 9.561 -4.968 1.00 0.00 N ATOM 0 H GLN A 40 5.997 9.419 -1.934 1.00 0.00 H new ATOM 0 HA GLN A 40 6.359 12.203 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.998 10.310 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.747 12.038 -2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.197 12.121 -4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.570 10.417 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.678 8.849 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.316 9.303 -5.490 1.00 0.00 H new ATOM 637 N GLN A 41 4.784 11.373 0.501 1.00 0.00 N ATOM 638 CA GLN A 41 4.398 11.928 1.808 1.00 0.00 C ATOM 639 C GLN A 41 5.594 12.341 2.695 1.00 0.00 C ATOM 640 O GLN A 41 5.426 13.162 3.600 1.00 0.00 O ATOM 641 CB GLN A 41 3.424 11.002 2.556 1.00 0.00 C ATOM 642 CG GLN A 41 4.017 9.672 3.046 1.00 0.00 C ATOM 643 CD GLN A 41 3.308 9.088 4.271 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.939 8.629 5.220 1.00 0.00 O ATOM 645 NE2 GLN A 41 1.993 9.087 4.306 1.00 0.00 N ATOM 0 H GLN A 41 4.565 10.384 0.384 1.00 0.00 H new ATOM 0 HA GLN A 41 3.873 12.856 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.027 11.541 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.582 10.784 1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.975 8.946 2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.070 9.822 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.462 9.466 3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.505 8.707 5.117 1.00 0.00 H new ATOM 901 N LYS B 115 14.384 2.424 1.397 1.00 0.00 N ATOM 902 CA LYS B 115 13.394 1.844 0.473 1.00 0.00 C ATOM 903 C LYS B 115 13.421 0.311 0.471 1.00 0.00 C ATOM 904 O LYS B 115 12.369 -0.325 0.435 1.00 0.00 O ATOM 905 CB LYS B 115 13.635 2.391 -0.943 1.00 0.00 C ATOM 906 CG LYS B 115 13.414 3.908 -1.041 1.00 0.00 C ATOM 907 CD LYS B 115 13.755 4.420 -2.440 1.00 0.00 C ATOM 908 CE LYS B 115 13.506 5.931 -2.520 1.00 0.00 C ATOM 909 NZ LYS B 115 13.886 6.478 -3.850 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.403 2.137 0.819 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.654 2.156 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.968 1.885 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.376 4.144 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.032 4.418 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.797 4.202 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.148 3.903 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.453 6.138 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.077 6.436 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.705 7.502 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.897 6.302 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.323 6.013 -4.590 1.00 0.00 H new ATOM 923 N ASP B 116 14.611 -0.287 0.575 1.00 0.00 N ATOM 924 CA ASP B 116 14.797 -1.740 0.671 1.00 0.00 C ATOM 925 C ASP B 116 14.225 -2.309 1.984 1.00 0.00 C ATOM 926 O ASP B 116 13.592 -3.365 1.974 1.00 0.00 O ATOM 927 CB ASP B 116 16.293 -2.094 0.548 1.00 0.00 C ATOM 928 CG ASP B 116 16.949 -1.732 -0.797 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.201 -1.682 -0.842 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.245 -1.539 -1.818 1.00 0.00 O1- ATOM 0 H ASP B 116 15.488 0.233 0.595 1.00 0.00 H new ATOM 0 HA ASP B 116 14.247 -2.196 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.836 -1.587 1.346 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.410 -3.165 0.714 1.00 0.00 H new ATOM 935 N ASP B 117 14.392 -1.582 3.096 1.00 0.00 N ATOM 936 CA ASP B 117 13.797 -1.944 4.390 1.00 0.00 C ATOM 937 C ASP B 117 12.274 -1.764 4.396 1.00 0.00 C ATOM 938 O ASP B 117 11.567 -2.552 5.031 1.00 0.00 O ATOM 939 CB ASP B 117 14.433 -1.136 5.531 1.00 0.00 C ATOM 940 CG ASP B 117 15.953 -1.308 5.651 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.630 -0.366 6.129 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.514 -2.364 5.281 1.00 0.00 O1- ATOM 0 H ASP B 117 14.944 -0.725 3.124 1.00 0.00 H new ATOM 0 HA ASP B 117 14.004 -3.002 4.549 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.209 -0.080 5.382 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.970 -1.431 6.472 1.00 0.00 H new ATOM 947 N TYR B 118 11.751 -0.772 3.661 1.00 0.00 N ATOM 948 CA TYR B 118 10.313 -0.548 3.525 1.00 0.00 C ATOM 949 C TYR B 118 9.649 -1.674 2.716 1.00 0.00 C ATOM 950 O TYR B 118 8.681 -2.267 3.183 1.00 0.00 O ATOM 951 CB TYR B 118 10.034 0.846 2.945 1.00 0.00 C ATOM 952 CG TYR B 118 8.697 1.416 3.374 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.640 1.589 2.458 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.509 1.776 4.726 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.400 2.097 2.894 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.273 2.264 5.172 1.00 0.00 C ATOM 957 CZ TYR B 118 6.207 2.410 4.260 1.00 0.00 C ATOM 958 OH TYR B 118 5.003 2.859 4.703 1.00 0.00 O ATOM 0 H TYR B 118 12.320 -0.102 3.144 1.00 0.00 H new ATOM 0 HA TYR B 118 9.861 -0.575 4.516 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.827 1.526 3.254 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.066 0.792 1.857 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.781 1.331 1.419 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.327 1.674 5.424 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.598 2.247 2.186 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.137 2.527 6.211 1.00 0.00 H new ATOM 0 HH TYR B 118 5.050 3.023 5.668 1.00 0.00 H new ATOM 968 N LEU B 119 10.214 -2.086 1.578 1.00 0.00 N ATOM 969 CA LEU B 119 9.771 -3.289 0.853 1.00 0.00 C ATOM 970 C LEU B 119 9.911 -4.559 1.717 1.00 0.00 C ATOM 971 O LEU B 119 9.004 -5.399 1.712 1.00 0.00 O ATOM 972 CB LEU B 119 10.568 -3.420 -0.465 1.00 0.00 C ATOM 973 CG LEU B 119 9.843 -2.829 -1.690 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.450 -1.360 -1.534 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.729 -2.966 -2.927 1.00 0.00 C ATOM 0 H LEU B 119 10.990 -1.599 1.131 1.00 0.00 H new ATOM 0 HA LEU B 119 8.712 -3.182 0.620 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.530 -2.921 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.775 -4.474 -0.650 1.00 0.00 H new ATOM 0 HG LEU B 119 8.919 -3.398 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.945 -1.020 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.779 -1.251 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.345 -0.759 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.214 -2.547 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.664 -2.429 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.942 -4.020 -3.107 1.00 0.00 H new ATOM 987 N SER B 120 10.990 -4.693 2.496 1.00 0.00 N ATOM 988 CA SER B 120 11.182 -5.841 3.392 1.00 0.00 C ATOM 989 C SER B 120 10.061 -5.958 4.439 1.00 0.00 C ATOM 990 O SER B 120 9.477 -7.033 4.597 1.00 0.00 O ATOM 991 CB SER B 120 12.565 -5.767 4.062 1.00 0.00 C ATOM 992 OG SER B 120 12.804 -6.895 4.890 1.00 0.00 O ATOM 0 H SER B 120 11.751 -4.014 2.524 1.00 0.00 H new ATOM 0 HA SER B 120 11.135 -6.745 2.785 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.338 -5.706 3.296 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.634 -4.857 4.657 1.00 0.00 H new ATOM 0 HG SER B 120 13.691 -6.818 5.299 1.00 0.00 H new ATOM 998 N ARG B 121 9.690 -4.856 5.116 1.00 0.00 N ATOM 999 CA ARG B 121 8.631 -4.852 6.144 1.00 0.00 C ATOM 1000 C ARG B 121 7.213 -4.926 5.572 1.00 0.00 C ATOM 1001 O ARG B 121 6.362 -5.597 6.155 1.00 0.00 O ATOM 1002 CB ARG B 121 8.828 -3.670 7.118 1.00 0.00 C ATOM 1003 CG ARG B 121 8.351 -2.300 6.612 1.00 0.00 C ATOM 1004 CD ARG B 121 8.762 -1.151 7.537 1.00 0.00 C ATOM 1005 NE ARG B 121 8.150 -1.281 8.877 1.00 0.00 N ATOM 1006 CZ ARG B 121 8.722 -1.072 10.049 1.00 0.00 C ATOM 1007 NH1 ARG B 121 9.967 -0.695 10.170 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 8.041 -1.241 11.145 1.00 0.00 N ATOM 0 H ARG B 121 10.116 -3.942 4.966 1.00 0.00 H new ATOM 0 HA ARG B 121 8.736 -5.776 6.712 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.302 -3.897 8.046 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.888 -3.597 7.362 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.759 -2.123 5.617 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.265 -2.311 6.514 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.848 -1.132 7.633 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.465 -0.201 7.092 1.00 0.00 H new ATOM 0 HE ARG B 121 7.171 -1.566 8.899 1.00 0.00 H new ATOM 0 HH11 ARG B 121 10.539 -0.550 9.338 1.00 0.00 H new ATOM 0 HH12 ARG B 121 10.367 -0.545 11.096 1.00 0.00 H new ATOM 0 HH21 ARG B 121 7.065 -1.535 11.099 1.00 0.00 H new ATOM 0 HH22 ARG B 121 8.483 -1.080 12.050 1.00 0.00 H new ATOM 1022 N LEU B 122 6.959 -4.300 4.422 1.00 0.00 N ATOM 1023 CA LEU B 122 5.649 -4.304 3.751 1.00 0.00 C ATOM 1024 C LEU B 122 5.187 -5.715 3.348 1.00 0.00 C ATOM 1025 O LEU B 122 4.009 -6.045 3.501 1.00 0.00 O ATOM 1026 CB LEU B 122 5.684 -3.390 2.512 1.00 0.00 C ATOM 1027 CG LEU B 122 5.146 -1.957 2.705 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.620 -1.223 3.958 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.542 -1.139 1.476 1.00 0.00 C ATOM 0 H LEU B 122 7.667 -3.766 3.918 1.00 0.00 H new ATOM 0 HA LEU B 122 4.925 -3.925 4.472 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.715 -3.325 2.164 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.109 -3.867 1.718 1.00 0.00 H new ATOM 0 HG LEU B 122 4.068 -2.059 2.833 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.177 -0.227 3.986 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.315 -1.781 4.844 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.706 -1.137 3.940 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.174 -0.119 1.584 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.628 -1.125 1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.107 -1.589 0.584 1.00 0.00 H new ATOM 1041 N SER B 123 6.105 -6.565 2.888 1.00 0.00 N ATOM 1042 CA SER B 123 5.804 -7.952 2.506 1.00 0.00 C ATOM 1043 C SER B 123 5.192 -8.802 3.634 1.00 0.00 C ATOM 1044 O SER B 123 4.484 -9.774 3.353 1.00 0.00 O ATOM 1045 CB SER B 123 7.063 -8.642 1.964 1.00 0.00 C ATOM 1046 OG SER B 123 7.976 -8.993 2.990 1.00 0.00 O ATOM 0 H SER B 123 7.086 -6.313 2.768 1.00 0.00 H new ATOM 0 HA SER B 123 5.042 -7.881 1.730 1.00 0.00 H new ATOM 0 HB2 SER B 123 6.774 -9.539 1.417 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.558 -7.981 1.253 1.00 0.00 H new ATOM 0 HG SER B 123 8.343 -8.179 3.394 1.00 0.00 H new ATOM 1052 N ARG B 124 5.424 -8.429 4.899 1.00 0.00 N ATOM 1053 CA ARG B 124 4.978 -9.171 6.096 1.00 0.00 C ATOM 1054 C ARG B 124 3.494 -8.979 6.444 1.00 0.00 C ATOM 1055 O ARG B 124 2.935 -9.818 7.155 1.00 0.00 O ATOM 1056 CB ARG B 124 5.865 -8.786 7.296 1.00 0.00 C ATOM 1057 CG ARG B 124 7.389 -8.837 7.060 1.00 0.00 C ATOM 1058 CD ARG B 124 7.904 -10.140 6.439 1.00 0.00 C ATOM 1059 NE ARG B 124 7.641 -11.322 7.280 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.887 -12.579 6.958 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.406 -12.911 5.809 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.614 -13.541 7.792 1.00 0.00 N ATOM 0 H ARG B 124 5.941 -7.580 5.130 1.00 0.00 H new ATOM 0 HA ARG B 124 5.085 -10.230 5.861 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.600 -7.776 7.608 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.624 -9.449 8.127 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.669 -8.007 6.411 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.895 -8.681 8.013 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.435 -10.282 5.465 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.977 -10.055 6.267 1.00 0.00 H new ATOM 0 HE ARG B 124 7.230 -11.153 8.198 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.635 -12.190 5.125 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.583 -13.892 5.594 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.207 -13.327 8.702 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.807 -14.509 7.535 1.00 0.00 H new ATOM 1076 N LEU B 125 2.854 -7.902 5.962 1.00 0.00 N ATOM 1077 CA LEU B 125 1.434 -7.619 6.226 1.00 0.00 C ATOM 1078 C LEU B 125 0.486 -8.587 5.496 1.00 0.00 C ATOM 1079 O LEU B 125 0.746 -9.009 4.364 1.00 0.00 O ATOM 1080 CB LEU B 125 1.081 -6.158 5.862 1.00 0.00 C ATOM 1081 CG LEU B 125 1.592 -5.029 6.781 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.568 -5.365 8.273 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.995 -4.563 6.407 1.00 0.00 C ATOM 0 H LEU B 125 3.308 -7.201 5.377 1.00 0.00 H new ATOM 0 HA LEU B 125 1.289 -7.768 7.296 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.459 -5.965 4.858 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.005 -6.081 5.814 1.00 0.00 H new ATOM 0 HG LEU B 125 0.877 -4.223 6.613 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.944 -4.516 8.843 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.545 -5.585 8.580 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.198 -6.235 8.460 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.307 -3.768 7.084 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.689 -5.400 6.485 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.993 -4.188 5.384 1.00 0.00 H new ATOM 1095 N SER B 126 -0.650 -8.885 6.137 1.00 0.00 N ATOM 1096 CA SER B 126 -1.811 -9.554 5.518 1.00 0.00 C ATOM 1097 C SER B 126 -2.543 -8.633 4.524 1.00 0.00 C ATOM 1098 O SER B 126 -2.350 -7.417 4.538 1.00 0.00 O ATOM 1099 CB SER B 126 -2.783 -10.049 6.602 1.00 0.00 C ATOM 1100 OG SER B 126 -2.167 -11.019 7.438 1.00 0.00 O ATOM 0 H SER B 126 -0.796 -8.665 7.122 1.00 0.00 H new ATOM 0 HA SER B 126 -1.435 -10.409 4.956 1.00 0.00 H new ATOM 0 HB2 SER B 126 -3.120 -9.206 7.205 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.668 -10.479 6.132 1.00 0.00 H new ATOM 0 HG SER B 126 -2.805 -11.316 8.120 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.398 -9.200 3.660 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.067 -8.485 2.548 1.00 0.00 C ATOM 1108 C LYS B 127 -4.891 -7.266 3.001 1.00 0.00 C ATOM 1109 O LYS B 127 -4.866 -6.220 2.354 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.946 -9.491 1.771 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.221 -9.078 0.316 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.035 -9.388 -0.611 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.227 -8.847 -2.034 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.411 -9.426 -2.716 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.653 -10.186 3.710 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.289 -8.078 1.902 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.458 -10.466 1.776 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.896 -9.607 2.292 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.108 -9.598 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.440 -8.011 0.278 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.127 -8.960 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.889 -10.467 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.331 -7.763 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.334 -9.060 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.305 -9.321 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.490 -10.435 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.269 -8.928 -2.404 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.574 -7.376 4.137 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.331 -6.285 4.759 1.00 0.00 C ATOM 1130 C ASN B 128 -5.423 -5.214 5.398 1.00 0.00 C ATOM 1131 O ASN B 128 -5.702 -4.018 5.304 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.315 -6.888 5.781 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.663 -7.586 6.971 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.674 -8.298 6.849 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.190 -7.404 8.160 1.00 0.00 N ATOM 0 H ASN B 128 -5.620 -8.247 4.667 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.886 -5.760 3.982 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.960 -6.093 6.154 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.957 -7.603 5.266 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -6.776 -7.855 8.976 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.014 -6.812 8.268 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.306 -5.627 6.009 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.335 -4.755 6.677 1.00 0.00 C ATOM 1144 C GLN B 129 -2.547 -3.889 5.676 1.00 0.00 C ATOM 1145 O GLN B 129 -2.413 -2.685 5.881 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.376 -5.598 7.535 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.056 -6.295 8.726 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.153 -7.319 9.420 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.208 -7.867 8.855 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.419 -7.639 10.669 1.00 0.00 N ATOM 0 H GLN B 129 -4.045 -6.612 6.053 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.890 -4.073 7.321 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.907 -6.353 6.904 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.579 -4.956 7.909 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.365 -5.542 9.451 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.961 -6.794 8.379 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.199 -7.195 11.154 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.845 -8.331 11.151 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.076 -4.471 4.564 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.398 -3.711 3.494 1.00 0.00 C ATOM 1161 C LEU B 130 -2.336 -2.712 2.794 1.00 0.00 C ATOM 1162 O LEU B 130 -1.898 -1.626 2.410 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.686 -4.661 2.510 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.554 -5.669 1.729 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.138 -5.125 0.421 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.723 -6.912 1.402 1.00 0.00 C ATOM 0 H LEU B 130 -2.151 -5.471 4.378 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.627 -3.099 3.963 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.147 -4.050 1.785 1.00 0.00 H new ATOM 0 HB3 LEU B 130 0.061 -5.225 3.069 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.397 -5.897 2.382 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.734 -5.900 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.769 -4.263 0.635 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.327 -4.825 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.336 -7.625 0.850 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.136 -6.626 0.795 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.377 -7.372 2.328 1.00 0.00 H new ATOM 1178 N MET B 131 -3.636 -3.025 2.692 1.00 0.00 N ATOM 1179 CA MET B 131 -4.653 -2.093 2.191 1.00 0.00 C ATOM 1180 C MET B 131 -4.895 -0.933 3.165 1.00 0.00 C ATOM 1181 O MET B 131 -4.898 0.225 2.744 1.00 0.00 O ATOM 1182 CB MET B 131 -5.969 -2.827 1.901 1.00 0.00 C ATOM 1183 CG MET B 131 -5.987 -3.396 0.482 1.00 0.00 C ATOM 1184 SD MET B 131 -7.597 -4.045 -0.033 1.00 0.00 S ATOM 1185 CE MET B 131 -7.561 -5.673 0.742 1.00 0.00 C ATOM 0 H MET B 131 -4.012 -3.936 2.956 1.00 0.00 H new ATOM 0 HA MET B 131 -4.272 -1.671 1.261 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.104 -3.635 2.621 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.806 -2.141 2.031 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.682 -2.615 -0.215 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.247 -4.193 0.412 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.366 -6.286 0.338 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.603 -6.152 0.538 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.692 -5.566 1.819 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.038 -1.210 4.467 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.183 -0.171 5.489 1.00 0.00 C ATOM 1197 C ALA B 132 -3.958 0.767 5.541 1.00 0.00 C ATOM 1198 O ALA B 132 -4.108 1.989 5.622 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.442 -0.852 6.837 1.00 0.00 C ATOM 0 H ALA B 132 -5.056 -2.160 4.839 1.00 0.00 H new ATOM 0 HA ALA B 132 -6.029 0.468 5.237 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.553 -0.094 7.612 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.355 -1.445 6.776 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.603 -1.503 7.083 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.746 0.211 5.424 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.494 0.962 5.340 1.00 0.00 C ATOM 1207 C LEU B 133 -1.441 1.871 4.098 1.00 0.00 C ATOM 1208 O LEU B 133 -1.209 3.074 4.232 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.314 -0.030 5.378 1.00 0.00 C ATOM 1210 CG LEU B 133 1.083 0.614 5.268 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.398 1.569 6.425 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.138 -0.489 5.268 1.00 0.00 C ATOM 0 H LEU B 133 -2.609 -0.799 5.384 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.427 1.632 6.197 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.364 -0.596 6.308 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.433 -0.745 4.564 1.00 0.00 H new ATOM 0 HG LEU B 133 1.093 1.192 4.344 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.395 1.989 6.289 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.664 2.375 6.442 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.360 1.023 7.368 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.130 -0.044 5.190 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.068 -1.060 6.194 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.971 -1.152 4.419 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.709 1.332 2.905 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.694 2.105 1.663 1.00 0.00 C ATOM 1226 C ALA B 134 -2.775 3.208 1.640 1.00 0.00 C ATOM 1227 O ALA B 134 -2.505 4.321 1.183 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.843 1.140 0.484 1.00 0.00 C ATOM 0 H ALA B 134 -1.942 0.348 2.775 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.741 2.630 1.588 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.834 1.702 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.016 0.430 0.488 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.786 0.600 0.573 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.966 2.953 2.191 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.038 3.948 2.331 1.00 0.00 C ATOM 1236 C LEU B 135 -4.625 5.079 3.296 1.00 0.00 C ATOM 1237 O LEU B 135 -4.764 6.256 2.963 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.314 3.196 2.779 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.663 3.941 2.757 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.773 5.105 3.738 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.996 4.456 1.357 1.00 0.00 C ATOM 0 H LEU B 135 -4.218 2.035 2.559 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.238 4.446 1.382 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.415 2.313 2.148 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.149 2.843 3.797 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.381 3.185 3.075 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.757 5.565 3.648 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.636 4.738 4.755 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.005 5.845 3.513 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.954 4.976 1.379 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.217 5.144 1.027 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.055 3.616 0.665 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.029 4.734 4.448 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.490 5.689 5.440 1.00 0.00 C ATOM 1255 C LYS B 136 -2.366 6.557 4.856 1.00 0.00 C ATOM 1256 O LYS B 136 -2.295 7.754 5.142 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.034 4.904 6.684 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.564 5.821 7.826 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.339 5.057 9.137 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.201 4.026 9.033 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.957 3.367 10.340 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.903 3.761 4.726 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.275 6.388 5.728 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.857 4.282 7.038 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.223 4.231 6.407 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.637 6.315 7.533 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.305 6.604 7.988 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -2.110 5.767 9.932 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -3.261 4.548 9.420 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.454 3.275 8.285 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.289 4.519 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -0.185 2.677 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.693 4.083 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.821 2.878 10.649 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.513 5.989 4.006 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.509 6.724 3.224 1.00 0.00 C ATOM 1277 C LEU B 137 -1.161 7.662 2.190 1.00 0.00 C ATOM 1278 O LEU B 137 -0.725 8.810 2.056 1.00 0.00 O ATOM 1279 CB LEU B 137 0.431 5.721 2.526 1.00 0.00 C ATOM 1280 CG LEU B 137 1.783 5.470 3.217 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.677 5.086 4.693 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.504 4.346 2.473 1.00 0.00 C ATOM 0 H LEU B 137 -1.497 4.984 3.835 1.00 0.00 H new ATOM 0 HA LEU B 137 0.065 7.350 3.907 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.090 4.768 2.435 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.623 6.077 1.514 1.00 0.00 H new ATOM 0 HG LEU B 137 2.328 6.413 3.183 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.676 4.928 5.100 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.184 5.887 5.243 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.096 4.169 4.789 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.466 4.153 2.949 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.897 3.441 2.503 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.665 4.641 1.436 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.205 7.210 1.483 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.870 7.979 0.416 1.00 0.00 C ATOM 1296 C LYS B 138 -3.578 9.223 0.949 1.00 0.00 C ATOM 1297 O LYS B 138 -3.383 10.307 0.406 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.837 7.066 -0.372 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.412 7.718 -1.644 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.323 8.154 -2.636 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.927 8.688 -3.936 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.865 9.105 -4.888 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.618 6.290 1.635 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.099 8.339 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.313 6.151 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.661 6.776 0.280 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.083 7.014 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.009 8.585 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.701 8.924 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.672 7.308 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.549 7.919 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.577 9.535 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.302 9.463 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.288 9.855 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.261 8.289 -5.113 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.345 9.100 2.035 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.050 10.248 2.627 1.00 0.00 C ATOM 1318 C GLN B 139 -4.078 11.323 3.157 1.00 0.00 C ATOM 1319 O GLN B 139 -4.360 12.516 3.042 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.061 9.780 3.692 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.435 9.156 4.945 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.479 8.811 6.002 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.198 7.713 5.859 1.00 0.00 O flip ATOM 1324 NE2 GLN B 139 -6.678 9.520 6.980 1.00 0.00 N flip ATOM 0 H GLN B 139 -4.496 8.218 2.525 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.618 10.734 1.834 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.670 10.632 3.994 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.734 9.052 3.239 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.891 8.253 4.666 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.707 9.848 5.368 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.134 10.373 7.111 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.388 9.258 7.664 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.898 10.934 3.663 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.851 11.875 4.094 1.00 0.00 C ATOM 1335 C GLN B 140 -1.298 12.704 2.924 1.00 0.00 C ATOM 1336 O GLN B 140 -1.271 13.930 3.011 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.732 11.114 4.822 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.125 10.795 6.277 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.074 9.933 6.969 1.00 0.00 C ATOM 1340 OE1 GLN B 140 -0.060 8.643 6.722 1.00 0.00 O flip ATOM 1341 NE2 GLN B 140 0.768 10.402 7.723 1.00 0.00 N flip ATOM 0 H GLN B 140 -2.641 9.954 3.786 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.301 12.586 4.787 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.514 10.187 4.291 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.181 11.709 4.812 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.255 11.725 6.831 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.085 10.279 6.290 1.00 0.00 H new ATOM 0 HE21 GLN B 140 0.771 11.402 7.925 1.00 0.00 H new ATOM 0 HE22 GLN B 140 1.467 9.793 8.149 1.00 0.00 H new