USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 14 ASN :FLIP amide:sc= -1.21! C(o=-2!,f=-1.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0171 (180deg=-0.0833) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00291) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.473 K(o=-0.47,f=-5.5!) USER MOD Single : A 31 GLN : amide:sc= -3.27 K(o=-3.3,f=-6.3!) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00612 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.15 F(o=-2.8,f=-1.1) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.06) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.403) USER MOD Single : A 46 GLN : amide:sc= -0.781 K(o=-0.78,f=-1.6!) USER MOD Single : A 47 CYS SG : rot 74:sc= -1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.909 -0.312 -8.481 1.00 0.00 N ATOM 119 CA TRP A 12 -6.589 0.189 -8.116 1.00 0.00 C ATOM 120 C TRP A 12 -5.752 0.476 -9.358 1.00 0.00 C ATOM 121 O TRP A 12 -5.630 -0.369 -10.244 1.00 0.00 O ATOM 122 CB TRP A 12 -5.867 -0.821 -7.222 1.00 0.00 C ATOM 123 CG TRP A 12 -6.200 -0.671 -5.768 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.301 -1.160 -5.125 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.425 0.014 -4.778 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.258 -0.819 -3.794 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.117 -0.099 -3.556 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.214 0.711 -4.804 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.637 0.460 -2.375 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.739 1.266 -3.631 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.449 1.137 -2.429 1.00 0.00 C ATOM 0 HA TRP A 12 -6.721 1.121 -7.567 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.124 -1.830 -7.544 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.791 -0.709 -7.355 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.089 -1.731 -5.593 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.961 -1.063 -3.097 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.659 0.814 -5.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.183 0.363 -1.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.805 1.808 -3.640 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.051 1.580 -1.528 1.00 0.00 H new ATOM 142 N ARG A 13 -5.178 1.673 -9.415 1.00 0.00 N ATOM 143 CA ARG A 13 -4.353 2.071 -10.550 1.00 0.00 C ATOM 144 C ARG A 13 -2.872 2.039 -10.184 1.00 0.00 C ATOM 145 O ARG A 13 -2.511 2.110 -9.010 1.00 0.00 O ATOM 146 CB ARG A 13 -4.742 3.474 -11.023 1.00 0.00 C ATOM 147 CG ARG A 13 -6.211 3.607 -11.390 1.00 0.00 C ATOM 148 CD ARG A 13 -6.580 5.051 -11.692 1.00 0.00 C ATOM 149 NE ARG A 13 -8.015 5.289 -11.555 1.00 0.00 N ATOM 150 CZ ARG A 13 -8.648 6.310 -12.123 1.00 0.00 C ATOM 151 NH1 ARG A 13 -7.977 7.182 -12.862 1.00 0.00 N ATOM 152 NH2 ARG A 13 -9.955 6.459 -11.953 1.00 0.00 N ATOM 0 H ARG A 13 -5.269 2.384 -8.689 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.525 1.361 -11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.506 4.192 -10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.135 3.738 -11.889 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.428 2.985 -12.259 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.827 3.236 -10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.037 5.713 -11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.266 5.301 -12.705 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.561 4.636 -10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.972 7.070 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.466 7.965 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.475 5.790 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.440 7.243 -12.389 1.00 0.00 H new ATOM 166 N ASN A 14 -2.020 1.929 -11.198 1.00 0.00 N ATOM 167 CA ASN A 14 -0.578 1.885 -10.983 1.00 0.00 C ATOM 168 C ASN A 14 -0.147 2.942 -9.970 1.00 0.00 C ATOM 169 O ASN A 14 0.601 2.654 -9.035 1.00 0.00 O ATOM 170 CB ASN A 14 0.162 2.098 -12.305 1.00 0.00 C ATOM 171 CG ASN A 14 0.048 3.523 -12.809 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.150 3.907 -13.232 1.00 0.00 O flip ATOM 173 ND2 ASN A 14 1.027 4.271 -12.817 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.303 1.869 -12.176 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.324 0.902 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.214 1.845 -12.174 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.238 1.417 -13.056 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.929 3.933 -12.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.935 5.228 -13.158 1.00 0.00 H new ATOM 180 N THR A 15 -0.625 4.167 -10.162 1.00 0.00 N ATOM 181 CA THR A 15 -0.289 5.267 -9.267 1.00 0.00 C ATOM 182 C THR A 15 -0.689 4.949 -7.830 1.00 0.00 C ATOM 183 O THR A 15 0.113 5.092 -6.908 1.00 0.00 O ATOM 184 CB THR A 15 -0.977 6.575 -9.701 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.391 6.375 -9.803 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.430 7.056 -11.037 1.00 0.00 C ATOM 0 H THR A 15 -1.246 4.422 -10.930 1.00 0.00 H new ATOM 0 HA THR A 15 0.792 5.398 -9.320 1.00 0.00 H new ATOM 0 HB THR A 15 -0.772 7.335 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.821 7.212 -10.078 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.931 7.981 -11.323 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.641 7.236 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.608 6.296 -11.798 1.00 0.00 H new ATOM 194 N GLU A 16 -1.933 4.516 -7.649 1.00 0.00 N ATOM 195 CA GLU A 16 -2.438 4.178 -6.324 1.00 0.00 C ATOM 196 C GLU A 16 -1.556 3.125 -5.658 1.00 0.00 C ATOM 197 O GLU A 16 -1.259 3.211 -4.467 1.00 0.00 O ATOM 198 CB GLU A 16 -3.878 3.668 -6.417 1.00 0.00 C ATOM 199 CG GLU A 16 -4.829 4.651 -7.079 1.00 0.00 C ATOM 200 CD GLU A 16 -6.279 4.218 -6.977 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.623 3.528 -5.995 1.00 0.00 O ATOM 202 OE2 GLU A 16 -7.068 4.569 -7.879 1.00 0.00 O ATOM 0 H GLU A 16 -2.609 4.391 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.419 5.082 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.888 2.733 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.241 3.443 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.713 5.631 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.559 4.761 -8.129 1.00 0.00 H new ATOM 209 N ASP A 17 -1.142 2.131 -6.437 1.00 0.00 N ATOM 210 CA ASP A 17 -0.294 1.061 -5.924 1.00 0.00 C ATOM 211 C ASP A 17 1.099 1.584 -5.589 1.00 0.00 C ATOM 212 O ASP A 17 1.641 1.294 -4.523 1.00 0.00 O ATOM 213 CB ASP A 17 -0.194 -0.073 -6.946 1.00 0.00 C ATOM 214 CG ASP A 17 -1.278 -1.117 -6.761 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.470 -0.753 -6.837 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.935 -2.297 -6.539 1.00 0.00 O ATOM 0 H ASP A 17 -1.380 2.044 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.748 0.678 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.261 0.342 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.783 -0.549 -6.862 1.00 0.00 H new ATOM 221 N GLU A 18 1.672 2.356 -6.507 1.00 0.00 N ATOM 222 CA GLU A 18 3.003 2.918 -6.308 1.00 0.00 C ATOM 223 C GLU A 18 3.074 3.698 -4.999 1.00 0.00 C ATOM 224 O GLU A 18 4.010 3.533 -4.216 1.00 0.00 O ATOM 225 CB GLU A 18 3.376 3.830 -7.479 1.00 0.00 C ATOM 226 CG GLU A 18 3.973 3.087 -8.662 1.00 0.00 C ATOM 227 CD GLU A 18 5.291 2.417 -8.325 1.00 0.00 C ATOM 228 OE1 GLU A 18 6.247 3.135 -7.964 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.366 1.175 -8.423 1.00 0.00 O ATOM 0 H GLU A 18 1.236 2.606 -7.395 1.00 0.00 H new ATOM 0 HA GLU A 18 3.714 2.093 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.486 4.366 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.089 4.578 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.265 2.334 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.124 3.785 -9.486 1.00 0.00 H new ATOM 236 N ILE A 19 2.079 4.549 -4.769 1.00 0.00 N ATOM 237 CA ILE A 19 2.029 5.354 -3.555 1.00 0.00 C ATOM 238 C ILE A 19 1.910 4.473 -2.315 1.00 0.00 C ATOM 239 O ILE A 19 2.596 4.694 -1.316 1.00 0.00 O ATOM 240 CB ILE A 19 0.847 6.342 -3.584 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.972 7.285 -4.782 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.786 7.132 -2.285 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.356 7.824 -5.267 1.00 0.00 C ATOM 0 H ILE A 19 1.297 4.698 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 19 2.962 5.916 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.079 5.776 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.617 8.121 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.462 6.757 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.054 7.826 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.655 6.446 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.713 7.691 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.191 8.485 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.996 6.995 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.838 8.380 -4.463 1.00 0.00 H new ATOM 255 N LEU A 20 1.038 3.474 -2.388 1.00 0.00 N ATOM 256 CA LEU A 20 0.831 2.558 -1.272 1.00 0.00 C ATOM 257 C LEU A 20 2.117 1.809 -0.936 1.00 0.00 C ATOM 258 O LEU A 20 2.624 1.896 0.183 1.00 0.00 O ATOM 259 CB LEU A 20 -0.280 1.561 -1.605 1.00 0.00 C ATOM 260 CG LEU A 20 -0.635 0.559 -0.505 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.341 1.259 0.646 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.502 -0.561 -1.063 1.00 0.00 C ATOM 0 H LEU A 20 0.463 3.278 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 20 0.536 3.145 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.179 2.122 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.014 1.004 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 20 0.289 0.122 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.586 0.531 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.686 2.025 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.257 1.724 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.745 -1.264 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.422 -0.141 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.961 -1.081 -1.854 1.00 0.00 H new ATOM 274 N LYS A 21 2.641 1.076 -1.912 1.00 0.00 N ATOM 275 CA LYS A 21 3.870 0.315 -1.722 1.00 0.00 C ATOM 276 C LYS A 21 4.905 1.133 -0.956 1.00 0.00 C ATOM 277 O LYS A 21 5.354 0.734 0.117 1.00 0.00 O ATOM 278 CB LYS A 21 4.443 -0.113 -3.075 1.00 0.00 C ATOM 279 CG LYS A 21 3.920 -1.454 -3.561 1.00 0.00 C ATOM 280 CD LYS A 21 4.166 -1.643 -5.048 1.00 0.00 C ATOM 281 CE LYS A 21 3.103 -0.944 -5.883 1.00 0.00 C ATOM 282 NZ LYS A 21 3.332 -1.131 -7.342 1.00 0.00 N ATOM 0 H LYS A 21 2.233 0.993 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 21 3.630 -0.573 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.208 0.650 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.529 -0.161 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.405 -2.257 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.852 -1.525 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.150 -1.252 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.174 -2.707 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.120 -1.332 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.100 0.121 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.694 -0.507 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.319 -0.896 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.143 -2.121 -7.599 1.00 0.00 H new ATOM 296 N ALA A 22 5.276 2.281 -1.515 1.00 0.00 N ATOM 297 CA ALA A 22 6.255 3.157 -0.882 1.00 0.00 C ATOM 298 C ALA A 22 5.809 3.554 0.521 1.00 0.00 C ATOM 299 O ALA A 22 6.459 3.213 1.509 1.00 0.00 O ATOM 300 CB ALA A 22 6.484 4.395 -1.736 1.00 0.00 C ATOM 0 H ALA A 22 4.914 2.626 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 22 7.194 2.610 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.217 5.040 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.855 4.097 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.545 4.936 -1.852 1.00 0.00 H new ATOM 306 N ALA A 23 4.697 4.278 0.601 1.00 0.00 N ATOM 307 CA ALA A 23 4.164 4.721 1.883 1.00 0.00 C ATOM 308 C ALA A 23 4.313 3.635 2.944 1.00 0.00 C ATOM 309 O ALA A 23 4.843 3.880 4.027 1.00 0.00 O ATOM 310 CB ALA A 23 2.704 5.123 1.737 1.00 0.00 C ATOM 0 H ALA A 23 4.148 4.570 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 23 4.737 5.590 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.319 5.452 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.621 5.937 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.125 4.269 1.387 1.00 0.00 H new ATOM 316 N VAL A 24 3.840 2.435 2.625 1.00 0.00 N ATOM 317 CA VAL A 24 3.920 1.311 3.551 1.00 0.00 C ATOM 318 C VAL A 24 5.341 1.129 4.071 1.00 0.00 C ATOM 319 O VAL A 24 5.548 0.799 5.239 1.00 0.00 O ATOM 320 CB VAL A 24 3.457 0.001 2.885 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.448 -1.136 3.895 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.083 0.180 2.258 1.00 0.00 C ATOM 0 H VAL A 24 3.397 2.216 1.733 1.00 0.00 H new ATOM 0 HA VAL A 24 3.257 1.540 4.385 1.00 0.00 H new ATOM 0 HB VAL A 24 4.162 -0.254 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.118 -2.053 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.453 -1.277 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.766 -0.893 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.771 -0.755 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.365 0.458 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.127 0.965 1.503 1.00 0.00 H new ATOM 332 N MET A 25 6.318 1.345 3.197 1.00 0.00 N ATOM 333 CA MET A 25 7.722 1.206 3.570 1.00 0.00 C ATOM 334 C MET A 25 8.176 2.385 4.424 1.00 0.00 C ATOM 335 O MET A 25 8.991 2.228 5.333 1.00 0.00 O ATOM 336 CB MET A 25 8.596 1.101 2.318 1.00 0.00 C ATOM 337 CG MET A 25 8.358 -0.168 1.516 1.00 0.00 C ATOM 338 SD MET A 25 9.189 -1.603 2.223 1.00 0.00 S ATOM 339 CE MET A 25 8.694 -2.882 1.072 1.00 0.00 C ATOM 0 H MET A 25 6.164 1.617 2.226 1.00 0.00 H new ATOM 0 HA MET A 25 7.828 0.293 4.156 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.408 1.965 1.680 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.645 1.144 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.287 -0.363 1.462 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.707 -0.018 0.494 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.130 -3.834 1.376 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.607 -2.966 1.067 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.043 -2.626 0.071 1.00 0.00 H new ATOM 349 N LYS A 26 7.645 3.566 4.126 1.00 0.00 N ATOM 350 CA LYS A 26 7.995 4.772 4.867 1.00 0.00 C ATOM 351 C LYS A 26 7.422 4.728 6.280 1.00 0.00 C ATOM 352 O LYS A 26 8.165 4.734 7.262 1.00 0.00 O ATOM 353 CB LYS A 26 7.479 6.013 4.135 1.00 0.00 C ATOM 354 CG LYS A 26 7.663 7.301 4.918 1.00 0.00 C ATOM 355 CD LYS A 26 7.018 8.481 4.210 1.00 0.00 C ATOM 356 CE LYS A 26 7.065 9.738 5.065 1.00 0.00 C ATOM 357 NZ LYS A 26 8.453 10.256 5.214 1.00 0.00 N ATOM 0 H LYS A 26 6.970 3.714 3.376 1.00 0.00 H new ATOM 0 HA LYS A 26 9.082 4.823 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.995 6.102 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.420 5.880 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.228 7.189 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.727 7.495 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.529 8.663 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.982 8.241 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.437 10.507 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.650 9.523 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.440 11.122 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.043 9.539 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.847 10.469 4.275 1.00 0.00 H new ATOM 371 N TYR A 27 6.098 4.682 6.376 1.00 0.00 N ATOM 372 CA TYR A 27 5.426 4.637 7.669 1.00 0.00 C ATOM 373 C TYR A 27 5.475 3.232 8.260 1.00 0.00 C ATOM 374 O TYR A 27 5.535 3.059 9.477 1.00 0.00 O ATOM 375 CB TYR A 27 3.973 5.093 7.528 1.00 0.00 C ATOM 376 CG TYR A 27 3.824 6.449 6.875 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.906 7.616 7.625 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.602 6.563 5.508 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.770 8.856 7.032 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.466 7.799 4.907 1.00 0.00 C ATOM 381 CZ TYR A 27 3.551 8.943 5.673 1.00 0.00 C ATOM 382 OH TYR A 27 3.415 10.176 5.079 1.00 0.00 O ATOM 0 H TYR A 27 5.469 4.675 5.573 1.00 0.00 H new ATOM 0 HA TYR A 27 5.948 5.314 8.345 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.425 4.355 6.943 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.513 5.122 8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.079 7.552 8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.535 5.670 4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.835 9.753 7.630 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.294 7.869 3.843 1.00 0.00 H new ATOM 0 HH TYR A 27 3.267 10.061 4.117 1.00 0.00 H new ATOM 392 N GLY A 28 5.449 2.228 7.388 1.00 0.00 N ATOM 393 CA GLY A 28 5.492 0.850 7.841 1.00 0.00 C ATOM 394 C GLY A 28 4.159 0.146 7.679 1.00 0.00 C ATOM 395 O GLY A 28 3.148 0.776 7.369 1.00 0.00 O ATOM 0 H GLY A 28 5.399 2.345 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.255 0.310 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.788 0.824 8.890 1.00 0.00 H new ATOM 399 N LYS A 29 4.156 -1.166 7.889 1.00 0.00 N ATOM 400 CA LYS A 29 2.938 -1.958 7.766 1.00 0.00 C ATOM 401 C LYS A 29 2.097 -1.865 9.034 1.00 0.00 C ATOM 402 O LYS A 29 1.539 -2.860 9.495 1.00 0.00 O ATOM 403 CB LYS A 29 3.284 -3.421 7.477 1.00 0.00 C ATOM 404 CG LYS A 29 4.156 -3.609 6.247 1.00 0.00 C ATOM 405 CD LYS A 29 4.561 -5.062 6.068 1.00 0.00 C ATOM 406 CE LYS A 29 5.346 -5.267 4.781 1.00 0.00 C ATOM 407 NZ LYS A 29 6.759 -4.820 4.916 1.00 0.00 N ATOM 0 H LYS A 29 4.984 -1.704 8.145 1.00 0.00 H new ATOM 0 HA LYS A 29 2.356 -1.557 6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.796 -3.842 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.360 -3.985 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.617 -3.269 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.049 -2.990 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.164 -5.380 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.670 -5.690 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.323 -6.322 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.867 -4.716 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.260 -4.976 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.782 -3.808 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.224 -5.363 5.671 1.00 0.00 H new ATOM 421 N ASN A 30 2.009 -0.662 9.594 1.00 0.00 N ATOM 422 CA ASN A 30 1.235 -0.439 10.809 1.00 0.00 C ATOM 423 C ASN A 30 0.327 0.778 10.660 1.00 0.00 C ATOM 424 O ASN A 30 -0.781 0.806 11.194 1.00 0.00 O ATOM 425 CB ASN A 30 2.169 -0.249 12.006 1.00 0.00 C ATOM 426 CG ASN A 30 3.200 0.837 11.768 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.799 0.915 10.695 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.413 1.680 12.771 1.00 0.00 N ATOM 0 H ASN A 30 2.464 0.173 9.225 1.00 0.00 H new ATOM 0 HA ASN A 30 0.611 -1.317 10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.579 0.001 12.888 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.678 -1.189 12.219 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.096 2.430 12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.893 1.577 13.643 1.00 0.00 H new ATOM 435 N GLN A 31 0.806 1.780 9.930 1.00 0.00 N ATOM 436 CA GLN A 31 0.037 3.000 9.711 1.00 0.00 C ATOM 437 C GLN A 31 -0.904 2.844 8.520 1.00 0.00 C ATOM 438 O GLN A 31 -1.062 3.764 7.718 1.00 0.00 O ATOM 439 CB GLN A 31 0.976 4.185 9.482 1.00 0.00 C ATOM 440 CG GLN A 31 2.041 4.334 10.556 1.00 0.00 C ATOM 441 CD GLN A 31 2.544 5.758 10.686 1.00 0.00 C ATOM 442 OE1 GLN A 31 2.403 6.565 9.767 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.136 6.075 11.832 1.00 0.00 N ATOM 0 H GLN A 31 1.722 1.772 9.481 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.562 3.187 10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.462 4.070 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.387 5.101 9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.634 4.008 11.513 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.879 3.676 10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.232 5.375 12.567 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.495 7.019 11.977 1.00 0.00 H new ATOM 452 N TRP A 32 -1.524 1.675 8.413 1.00 0.00 N ATOM 453 CA TRP A 32 -2.449 1.399 7.319 1.00 0.00 C ATOM 454 C TRP A 32 -3.545 2.457 7.252 1.00 0.00 C ATOM 455 O TRP A 32 -3.938 2.889 6.169 1.00 0.00 O ATOM 456 CB TRP A 32 -3.072 0.012 7.489 1.00 0.00 C ATOM 457 CG TRP A 32 -2.122 -1.107 7.188 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.729 -2.100 8.040 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.443 -1.346 5.951 1.00 0.00 C ATOM 460 NE1 TRP A 32 -0.847 -2.941 7.407 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.656 -2.501 6.124 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.425 -0.698 4.713 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.140 -3.019 5.105 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.635 -1.213 3.703 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.138 -2.364 3.903 1.00 0.00 C ATOM 0 H TRP A 32 -1.404 0.903 9.069 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.887 1.426 6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.433 -0.093 8.512 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.939 -0.071 6.834 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.063 -2.208 9.061 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.406 -3.760 7.825 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.018 0.190 4.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.737 -3.906 5.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.613 -0.719 2.743 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.744 -2.742 3.093 1.00 0.00 H new ATOM 476 N SER A 33 -4.034 2.870 8.417 1.00 0.00 N ATOM 477 CA SER A 33 -5.087 3.876 8.490 1.00 0.00 C ATOM 478 C SER A 33 -4.599 5.215 7.946 1.00 0.00 C ATOM 479 O SER A 33 -5.333 5.922 7.255 1.00 0.00 O ATOM 480 CB SER A 33 -5.563 4.043 9.934 1.00 0.00 C ATOM 481 OG SER A 33 -4.533 4.568 10.753 1.00 0.00 O ATOM 0 H SER A 33 -3.718 2.524 9.323 1.00 0.00 H new ATOM 0 HA SER A 33 -5.922 3.537 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.427 4.707 9.961 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.889 3.080 10.327 1.00 0.00 H new ATOM 0 HG SER A 33 -4.863 4.667 11.670 1.00 0.00 H new ATOM 487 N ARG A 34 -3.354 5.556 8.262 1.00 0.00 N ATOM 488 CA ARG A 34 -2.766 6.810 7.806 1.00 0.00 C ATOM 489 C ARG A 34 -2.447 6.751 6.315 1.00 0.00 C ATOM 490 O ARG A 34 -2.662 7.719 5.585 1.00 0.00 O ATOM 491 CB ARG A 34 -1.495 7.120 8.599 1.00 0.00 C ATOM 492 CG ARG A 34 -1.092 8.585 8.556 1.00 0.00 C ATOM 493 CD ARG A 34 -0.168 8.874 7.383 1.00 0.00 C ATOM 494 NE ARG A 34 -0.293 10.252 6.915 1.00 0.00 N ATOM 495 CZ ARG A 34 0.347 11.277 7.466 1.00 0.00 C ATOM 496 NH1 ARG A 34 1.153 11.081 8.501 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.182 12.502 6.983 1.00 0.00 N ATOM 0 H ARG A 34 -2.733 4.982 8.832 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.493 7.605 7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.643 6.823 9.637 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.677 6.515 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.984 9.207 8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.594 8.854 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.864 8.684 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.396 8.191 6.565 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.906 10.437 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.283 10.141 8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.643 11.870 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.437 12.657 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.674 13.288 7.407 1.00 0.00 H new ATOM 511 N ILE A 35 -1.932 5.610 5.870 1.00 0.00 N ATOM 512 CA ILE A 35 -1.584 5.425 4.467 1.00 0.00 C ATOM 513 C ILE A 35 -2.799 5.630 3.568 1.00 0.00 C ATOM 514 O ILE A 35 -2.692 6.208 2.487 1.00 0.00 O ATOM 515 CB ILE A 35 -1.001 4.022 4.212 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.322 3.852 4.961 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.805 3.794 2.720 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.794 2.416 5.035 1.00 0.00 C ATOM 0 H ILE A 35 -1.747 4.800 6.461 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.828 6.173 4.228 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.705 3.278 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.088 4.453 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.210 4.242 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.392 2.799 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.765 3.878 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.117 4.542 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.737 2.371 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.047 1.814 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.938 2.028 4.027 1.00 0.00 H new ATOM 530 N ALA A 36 -3.952 5.153 4.024 1.00 0.00 N ATOM 531 CA ALA A 36 -5.188 5.288 3.262 1.00 0.00 C ATOM 532 C ALA A 36 -5.460 6.746 2.910 1.00 0.00 C ATOM 533 O ALA A 36 -5.870 7.059 1.792 1.00 0.00 O ATOM 534 CB ALA A 36 -6.356 4.706 4.045 1.00 0.00 C ATOM 0 H ALA A 36 -4.057 4.670 4.916 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.074 4.732 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.272 4.813 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.172 3.650 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.461 5.238 4.991 1.00 0.00 H new ATOM 540 N SER A 37 -5.229 7.636 3.870 1.00 0.00 N ATOM 541 CA SER A 37 -5.454 9.061 3.662 1.00 0.00 C ATOM 542 C SER A 37 -4.746 9.544 2.399 1.00 0.00 C ATOM 543 O SER A 37 -5.292 10.339 1.633 1.00 0.00 O ATOM 544 CB SER A 37 -4.962 9.859 4.872 1.00 0.00 C ATOM 545 OG SER A 37 -5.987 9.999 5.840 1.00 0.00 O ATOM 0 H SER A 37 -4.886 7.395 4.800 1.00 0.00 H new ATOM 0 HA SER A 37 -6.526 9.221 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.103 9.358 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.625 10.844 4.550 1.00 0.00 H new ATOM 0 HG SER A 37 -5.648 10.511 6.604 1.00 0.00 H new ATOM 551 N LEU A 38 -3.528 9.058 2.189 1.00 0.00 N ATOM 552 CA LEU A 38 -2.743 9.438 1.020 1.00 0.00 C ATOM 553 C LEU A 38 -3.511 9.154 -0.267 1.00 0.00 C ATOM 554 O LEU A 38 -3.564 9.991 -1.169 1.00 0.00 O ATOM 555 CB LEU A 38 -1.411 8.687 1.009 1.00 0.00 C ATOM 556 CG LEU A 38 -0.559 8.813 2.272 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.568 7.791 2.260 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.001 10.223 2.401 1.00 0.00 C ATOM 0 H LEU A 38 -3.062 8.400 2.813 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.548 10.509 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.614 7.630 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.824 9.042 0.162 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.193 8.614 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.164 7.896 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.148 6.786 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.201 7.958 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.603 10.294 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.618 10.450 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.823 10.936 2.457 1.00 0.00 H new ATOM 570 N LEU A 39 -4.107 7.969 -0.345 1.00 0.00 N ATOM 571 CA LEU A 39 -4.874 7.574 -1.521 1.00 0.00 C ATOM 572 C LEU A 39 -6.321 8.045 -1.410 1.00 0.00 C ATOM 573 O LEU A 39 -7.020 7.717 -0.451 1.00 0.00 O ATOM 574 CB LEU A 39 -4.833 6.055 -1.695 1.00 0.00 C ATOM 575 CG LEU A 39 -3.443 5.418 -1.709 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.521 3.956 -1.300 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.808 5.556 -3.085 1.00 0.00 C ATOM 0 H LEU A 39 -4.074 7.265 0.392 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.423 8.046 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.410 5.601 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.336 5.803 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.817 5.942 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.522 3.520 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.934 3.881 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.163 3.417 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.819 5.097 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.433 5.058 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.716 6.612 -3.339 1.00 0.00 H new ATOM 589 N HIS A 40 -6.764 8.816 -2.398 1.00 0.00 N ATOM 590 CA HIS A 40 -8.129 9.331 -2.413 1.00 0.00 C ATOM 591 C HIS A 40 -9.131 8.206 -2.655 1.00 0.00 C ATOM 592 O HIS A 40 -8.935 7.365 -3.533 1.00 0.00 O ATOM 593 CB HIS A 40 -8.280 10.404 -3.491 1.00 0.00 C ATOM 594 CG HIS A 40 -9.671 10.946 -3.606 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.663 11.041 -2.690 1.00 0.00 N flip ATOM 596 CD2 HIS A 40 -10.181 11.471 -4.775 1.00 0.00 C flip ATOM 597 CE1 HIS A 40 -11.742 11.616 -3.315 1.00 0.00 C flip ATOM 598 NE2 HIS A 40 -11.424 11.866 -4.573 1.00 0.00 N flip ATOM 0 H HIS A 40 -6.198 9.098 -3.198 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.335 9.774 -1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.596 11.224 -3.274 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.981 9.986 -4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.646 11.547 -5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.695 11.829 -2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.035 12.292 -5.270 1.00 0.00 H new ATOM 607 N ARG A 41 -10.203 8.196 -1.870 1.00 0.00 N ATOM 608 CA ARG A 41 -11.235 7.174 -1.997 1.00 0.00 C ATOM 609 C ARG A 41 -10.704 5.810 -1.565 1.00 0.00 C ATOM 610 O ARG A 41 -10.945 4.799 -2.226 1.00 0.00 O ATOM 611 CB ARG A 41 -11.737 7.103 -3.440 1.00 0.00 C ATOM 612 CG ARG A 41 -12.126 8.455 -4.017 1.00 0.00 C ATOM 613 CD ARG A 41 -13.209 8.319 -5.076 1.00 0.00 C ATOM 614 NE ARG A 41 -12.662 7.916 -6.369 1.00 0.00 N ATOM 615 CZ ARG A 41 -12.163 8.771 -7.254 1.00 0.00 C ATOM 616 NH1 ARG A 41 -12.142 10.070 -6.988 1.00 0.00 N ATOM 617 NH2 ARG A 41 -11.684 8.328 -8.410 1.00 0.00 N ATOM 0 H ARG A 41 -10.380 8.885 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.064 7.447 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.961 6.661 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.599 6.437 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.478 9.106 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.248 8.932 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.946 7.585 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.732 9.269 -5.184 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.663 6.924 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.510 10.415 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.758 10.724 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.699 7.330 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.301 8.986 -9.089 1.00 0.00 H new ATOM 631 N LYS A 42 -9.980 5.788 -0.451 1.00 0.00 N ATOM 632 CA LYS A 42 -9.415 4.550 0.071 1.00 0.00 C ATOM 633 C LYS A 42 -9.538 4.494 1.591 1.00 0.00 C ATOM 634 O LYS A 42 -9.895 5.483 2.230 1.00 0.00 O ATOM 635 CB LYS A 42 -7.946 4.423 -0.338 1.00 0.00 C ATOM 636 CG LYS A 42 -7.747 4.168 -1.822 1.00 0.00 C ATOM 637 CD LYS A 42 -8.125 2.746 -2.199 1.00 0.00 C ATOM 638 CE LYS A 42 -8.503 2.640 -3.669 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.951 2.907 -3.889 1.00 0.00 N ATOM 0 H LYS A 42 -9.771 6.615 0.108 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.976 3.717 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.420 5.337 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.490 3.610 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.351 4.870 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.706 4.351 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.290 2.078 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.961 2.415 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.911 3.348 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.257 1.644 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.146 2.943 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.514 2.148 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.206 3.818 -3.456 1.00 0.00 H new ATOM 653 N SER A 43 -9.237 3.332 2.162 1.00 0.00 N ATOM 654 CA SER A 43 -9.316 3.148 3.606 1.00 0.00 C ATOM 655 C SER A 43 -8.359 2.052 4.067 1.00 0.00 C ATOM 656 O SER A 43 -7.910 1.230 3.270 1.00 0.00 O ATOM 657 CB SER A 43 -10.747 2.797 4.019 1.00 0.00 C ATOM 658 OG SER A 43 -10.896 2.839 5.428 1.00 0.00 O ATOM 0 H SER A 43 -8.936 2.505 1.647 1.00 0.00 H new ATOM 0 HA SER A 43 -9.026 4.084 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.444 3.495 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.001 1.802 3.653 1.00 0.00 H new ATOM 0 HG SER A 43 -11.819 2.613 5.666 1.00 0.00 H new ATOM 664 N ALA A 44 -8.052 2.050 5.360 1.00 0.00 N ATOM 665 CA ALA A 44 -7.150 1.056 5.928 1.00 0.00 C ATOM 666 C ALA A 44 -7.443 -0.334 5.372 1.00 0.00 C ATOM 667 O ALA A 44 -6.596 -0.943 4.718 1.00 0.00 O ATOM 668 CB ALA A 44 -7.258 1.052 7.446 1.00 0.00 C ATOM 0 H ALA A 44 -8.414 2.725 6.033 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.131 1.324 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.579 0.305 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.992 2.036 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.281 0.812 7.737 1.00 0.00 H new ATOM 674 N LYS A 45 -8.647 -0.830 5.636 1.00 0.00 N ATOM 675 CA LYS A 45 -9.053 -2.147 5.161 1.00 0.00 C ATOM 676 C LYS A 45 -8.595 -2.372 3.723 1.00 0.00 C ATOM 677 O LYS A 45 -7.956 -3.378 3.417 1.00 0.00 O ATOM 678 CB LYS A 45 -10.573 -2.299 5.253 1.00 0.00 C ATOM 679 CG LYS A 45 -11.085 -3.628 4.725 1.00 0.00 C ATOM 680 CD LYS A 45 -10.857 -4.750 5.724 1.00 0.00 C ATOM 681 CE LYS A 45 -10.984 -6.116 5.066 1.00 0.00 C ATOM 682 NZ LYS A 45 -9.748 -6.492 4.326 1.00 0.00 N ATOM 0 H LYS A 45 -9.359 -0.339 6.177 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.580 -2.896 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.878 -2.189 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.045 -1.490 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.149 -3.547 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.582 -3.866 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.866 -4.649 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.579 -4.668 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.194 -6.867 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.831 -6.111 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.002 -7.061 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.252 -5.631 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.126 -7.047 4.948 1.00 0.00 H new ATOM 696 N GLN A 46 -8.927 -1.429 2.847 1.00 0.00 N ATOM 697 CA GLN A 46 -8.548 -1.526 1.442 1.00 0.00 C ATOM 698 C GLN A 46 -7.033 -1.605 1.291 1.00 0.00 C ATOM 699 O GLN A 46 -6.512 -2.498 0.621 1.00 0.00 O ATOM 700 CB GLN A 46 -9.089 -0.326 0.663 1.00 0.00 C ATOM 701 CG GLN A 46 -10.531 -0.492 0.213 1.00 0.00 C ATOM 702 CD GLN A 46 -10.791 -1.843 -0.425 1.00 0.00 C ATOM 703 OE1 GLN A 46 -9.913 -2.418 -1.069 1.00 0.00 O ATOM 704 NE2 GLN A 46 -12.003 -2.358 -0.248 1.00 0.00 N ATOM 0 H GLN A 46 -9.457 -0.590 3.085 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.983 -2.440 1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.012 0.565 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.461 -0.159 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.192 -0.366 1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.779 0.296 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.700 -1.847 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.236 -3.265 -0.653 1.00 0.00 H new ATOM 713 N CYS A 47 -6.331 -0.667 1.916 1.00 0.00 N ATOM 714 CA CYS A 47 -4.875 -0.629 1.850 1.00 0.00 C ATOM 715 C CYS A 47 -4.278 -1.978 2.238 1.00 0.00 C ATOM 716 O CYS A 47 -3.412 -2.510 1.542 1.00 0.00 O ATOM 717 CB CYS A 47 -4.329 0.466 2.768 1.00 0.00 C ATOM 718 SG CYS A 47 -4.612 2.146 2.161 1.00 0.00 S ATOM 0 H CYS A 47 -6.747 0.078 2.475 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.589 -0.407 0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.789 0.364 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.258 0.314 2.900 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.864 2.458 2.316 1.00 0.00 H new ATOM 724 N LYS A 48 -4.745 -2.527 3.354 1.00 0.00 N ATOM 725 CA LYS A 48 -4.259 -3.815 3.836 1.00 0.00 C ATOM 726 C LYS A 48 -4.607 -4.930 2.855 1.00 0.00 C ATOM 727 O LYS A 48 -3.771 -5.777 2.541 1.00 0.00 O ATOM 728 CB LYS A 48 -4.854 -4.125 5.211 1.00 0.00 C ATOM 729 CG LYS A 48 -4.033 -5.116 6.019 1.00 0.00 C ATOM 730 CD LYS A 48 -4.288 -4.965 7.509 1.00 0.00 C ATOM 731 CE LYS A 48 -3.245 -5.708 8.330 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.535 -7.167 8.408 1.00 0.00 N ATOM 0 H LYS A 48 -5.460 -2.100 3.942 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.174 -3.757 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.947 -3.197 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.861 -4.521 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.277 -6.132 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.973 -4.966 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.278 -3.908 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.281 -5.345 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.260 -5.557 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.210 -5.291 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.801 -7.637 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.464 -7.313 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.543 -7.571 7.450 1.00 0.00 H new ATOM 746 N ALA A 49 -5.846 -4.923 2.374 1.00 0.00 N ATOM 747 CA ALA A 49 -6.304 -5.932 1.427 1.00 0.00 C ATOM 748 C ALA A 49 -5.502 -5.871 0.131 1.00 0.00 C ATOM 749 O ALA A 49 -4.791 -6.815 -0.215 1.00 0.00 O ATOM 750 CB ALA A 49 -7.787 -5.753 1.141 1.00 0.00 C ATOM 0 H ALA A 49 -6.551 -4.229 2.625 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.148 -6.913 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.115 -6.513 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.351 -5.854 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.959 -4.764 0.717 1.00 0.00 H new ATOM 756 N ARG A 50 -5.622 -4.756 -0.582 1.00 0.00 N ATOM 757 CA ARG A 50 -4.910 -4.574 -1.841 1.00 0.00 C ATOM 758 C ARG A 50 -3.442 -4.966 -1.697 1.00 0.00 C ATOM 759 O ARG A 50 -2.868 -5.595 -2.586 1.00 0.00 O ATOM 760 CB ARG A 50 -5.018 -3.121 -2.307 1.00 0.00 C ATOM 761 CG ARG A 50 -4.020 -2.754 -3.393 1.00 0.00 C ATOM 762 CD ARG A 50 -4.170 -3.649 -4.613 1.00 0.00 C ATOM 763 NE ARG A 50 -3.797 -2.961 -5.846 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.086 -3.419 -7.059 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.749 -4.559 -7.201 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.713 -2.736 -8.134 1.00 0.00 N ATOM 0 H ARG A 50 -6.206 -3.965 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.370 -5.223 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.027 -2.941 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.870 -2.462 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.164 -1.713 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.006 -2.838 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.548 -4.536 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.202 -3.991 -4.687 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.287 -2.081 -5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.038 -5.087 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.969 -4.908 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.204 -1.858 -8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.935 -3.089 -9.065 1.00 0.00 H new ATOM 780 N TRP A 51 -2.843 -4.589 -0.574 1.00 0.00 N ATOM 781 CA TRP A 51 -1.442 -4.901 -0.314 1.00 0.00 C ATOM 782 C TRP A 51 -1.225 -6.408 -0.232 1.00 0.00 C ATOM 783 O TRP A 51 -0.639 -7.010 -1.131 1.00 0.00 O ATOM 784 CB TRP A 51 -0.982 -4.235 0.984 1.00 0.00 C ATOM 785 CG TRP A 51 0.331 -4.755 1.485 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.524 -5.703 2.450 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.635 -4.354 1.048 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.868 -5.915 2.639 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.571 -5.101 1.791 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.102 -3.439 0.101 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.944 -4.958 1.614 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.466 -3.299 -0.072 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.374 -4.055 0.680 1.00 0.00 C ATOM 0 H TRP A 51 -3.305 -4.067 0.171 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.850 -4.513 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.902 -3.160 0.824 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.741 -4.387 1.751 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.264 -6.211 2.986 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.276 -6.572 3.303 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.410 -2.852 -0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.646 -5.539 2.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.838 -2.594 -0.800 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.434 -3.923 0.520 1.00 0.00 H new ATOM 804 N TYR A 52 -1.702 -7.011 0.851 1.00 0.00 N ATOM 805 CA TYR A 52 -1.558 -8.448 1.051 1.00 0.00 C ATOM 806 C TYR A 52 -2.146 -9.223 -0.124 1.00 0.00 C ATOM 807 O TYR A 52 -1.809 -10.386 -0.344 1.00 0.00 O ATOM 808 CB TYR A 52 -2.243 -8.874 2.351 1.00 0.00 C ATOM 809 CG TYR A 52 -1.399 -8.645 3.584 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.272 -9.419 3.832 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.728 -7.653 4.501 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.502 -9.213 4.958 1.00 0.00 C ATOM 813 CE2 TYR A 52 -0.959 -7.440 5.628 1.00 0.00 C ATOM 814 CZ TYR A 52 0.155 -8.222 5.853 1.00 0.00 C ATOM 815 OH TYR A 52 0.924 -8.013 6.974 1.00 0.00 O ATOM 0 H TYR A 52 -2.192 -6.527 1.604 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.494 -8.675 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.179 -8.326 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.499 -9.932 2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.004 -10.195 3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.600 -7.039 4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.374 -9.825 5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.228 -6.665 6.330 1.00 0.00 H new ATOM 0 HH TYR A 52 0.544 -7.278 7.499 1.00 0.00 H new ATOM 825 N GLU A 53 -3.026 -8.569 -0.875 1.00 0.00 N ATOM 826 CA GLU A 53 -3.660 -9.196 -2.029 1.00 0.00 C ATOM 827 C GLU A 53 -2.631 -9.521 -3.107 1.00 0.00 C ATOM 828 O GLU A 53 -2.495 -10.671 -3.524 1.00 0.00 O ATOM 829 CB GLU A 53 -4.745 -8.281 -2.602 1.00 0.00 C ATOM 830 CG GLU A 53 -6.116 -8.502 -1.985 1.00 0.00 C ATOM 831 CD GLU A 53 -6.808 -9.737 -2.528 1.00 0.00 C ATOM 832 OE1 GLU A 53 -7.410 -9.649 -3.619 1.00 0.00 O ATOM 833 OE2 GLU A 53 -6.748 -10.791 -1.861 1.00 0.00 O ATOM 0 H GLU A 53 -3.316 -7.606 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.118 -10.128 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.450 -7.243 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.811 -8.439 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.013 -8.594 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.740 -7.628 -2.173 1.00 0.00 H new ATOM 840 N TRP A 54 -1.909 -8.499 -3.553 1.00 0.00 N ATOM 841 CA TRP A 54 -0.891 -8.675 -4.583 1.00 0.00 C ATOM 842 C TRP A 54 0.441 -8.081 -4.140 1.00 0.00 C ATOM 843 O TRP A 54 1.500 -8.670 -4.364 1.00 0.00 O ATOM 844 CB TRP A 54 -1.343 -8.025 -5.892 1.00 0.00 C ATOM 845 CG TRP A 54 -2.830 -8.040 -6.080 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.672 -6.965 -6.044 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.650 -9.186 -6.332 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.966 -7.374 -6.258 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.980 -8.731 -6.438 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.391 -10.551 -6.480 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -6.044 -9.595 -6.684 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.449 -11.407 -6.724 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.761 -10.927 -6.825 1.00 0.00 C ATOM 0 H TRP A 54 -2.009 -7.541 -3.218 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.754 -9.744 -4.744 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.991 -6.994 -5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.873 -8.543 -6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.366 -5.944 -5.873 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.784 -6.765 -6.279 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.383 -10.931 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.057 -9.227 -6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.261 -12.464 -6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.565 -11.621 -7.018 1.00 0.00 H new ATOM 864 N LEU A 55 0.383 -6.914 -3.509 1.00 0.00 N ATOM 865 CA LEU A 55 1.586 -6.240 -3.033 1.00 0.00 C ATOM 866 C LEU A 55 2.038 -6.814 -1.694 1.00 0.00 C ATOM 867 O LEU A 55 1.621 -6.345 -0.635 1.00 0.00 O ATOM 868 CB LEU A 55 1.334 -4.737 -2.898 1.00 0.00 C ATOM 869 CG LEU A 55 0.307 -4.140 -3.862 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.225 -2.632 -3.686 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.657 -4.493 -5.300 1.00 0.00 C ATOM 0 H LEU A 55 -0.485 -6.414 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 55 2.378 -6.405 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.007 -4.534 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.281 -4.216 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.670 -4.566 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.510 -2.224 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.073 -2.401 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.200 -2.189 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.084 -4.060 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.643 -4.096 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.664 -5.577 -5.417 1.00 0.00 H new ATOM 883 N ASP A 56 2.893 -7.829 -1.750 1.00 0.00 N ATOM 884 CA ASP A 56 3.404 -8.465 -0.541 1.00 0.00 C ATOM 885 C ASP A 56 4.486 -9.486 -0.880 1.00 0.00 C ATOM 886 O ASP A 56 4.392 -10.223 -1.861 1.00 0.00 O ATOM 887 CB ASP A 56 2.267 -9.143 0.225 1.00 0.00 C ATOM 888 CG ASP A 56 2.714 -9.679 1.570 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.599 -10.559 1.593 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.177 -9.219 2.600 1.00 0.00 O ATOM 0 H ASP A 56 3.247 -8.229 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 56 3.844 -7.691 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.456 -8.429 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.867 -9.961 -0.374 1.00 0.00 H new ATOM 895 N PRO A 57 5.539 -9.530 -0.050 1.00 0.00 N ATOM 896 CA PRO A 57 6.659 -10.457 -0.242 1.00 0.00 C ATOM 897 C PRO A 57 6.264 -11.906 0.022 1.00 0.00 C ATOM 898 O PRO A 57 6.532 -12.790 -0.791 1.00 0.00 O ATOM 899 CB PRO A 57 7.688 -9.986 0.788 1.00 0.00 C ATOM 900 CG PRO A 57 6.885 -9.311 1.846 1.00 0.00 C ATOM 901 CD PRO A 57 5.717 -8.681 1.139 1.00 0.00 C ATOM 0 HA PRO A 57 7.027 -10.446 -1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.253 -10.825 1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.410 -9.302 0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.548 -10.026 2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.478 -8.559 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.825 -8.674 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.923 -7.646 0.866 1.00 0.00 H new