USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 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 48 MET CE :methyl 178:sc= -7.75! (180deg=-7.78!) USER MOD Set 1.2: A 72 SER OG : rot 80:sc= -0.102 USER MOD Set 2.1: A 39 THR OG1 : rot -1:sc= 0.513 USER MOD Set 2.2: A 43 TYR OH : rot 67:sc= 0.776 USER MOD Set 2.3: A 82 HIS : no HD1:sc= 0.163 K(o=1.5,f=-2.4) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 63:sc= -0.943 USER MOD Single : A 19 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 176:sc= -0.0178 (180deg=-0.0426) USER MOD Single : A 28 SER OG : rot -64:sc= 0.985 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -7.47! C(o=-7.5!,f=-10!) USER MOD Single : A 33 GLN : amide:sc= -2.25! C(o=-2.3!,f=-9.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.7 F(o=-3.7!,f=-1.7) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0522 F(o=-0.91,f=-0.052) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -126:sc= -1.79 USER MOD Single : A 63 MET CE :methyl -148:sc= -1.26 (180deg=-3.14!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.8!) USER MOD Single : A 80 HIS : no HE2:sc= -0.481 K(o=-0.48,f=-2.3) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc=-0.00325 (180deg=-0.743) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N ILE A 11 -11.119 -5.385 -8.734 1.00 0.00 N ATOM 120 CA ILE A 11 -10.563 -4.674 -9.879 1.00 0.00 C ATOM 121 C ILE A 11 -9.252 -5.305 -10.334 1.00 0.00 C ATOM 122 O ILE A 11 -9.071 -5.599 -11.515 1.00 0.00 O ATOM 123 CB ILE A 11 -10.320 -3.188 -9.554 1.00 0.00 C ATOM 124 CG1 ILE A 11 -11.650 -2.473 -9.307 1.00 0.00 C ATOM 125 CG2 ILE A 11 -9.553 -2.518 -10.684 1.00 0.00 C ATOM 126 CD1 ILE A 11 -11.491 -1.025 -8.899 1.00 0.00 C ATOM 0 HA ILE A 11 -11.296 -4.747 -10.683 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.721 -3.123 -8.646 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.254 -2.522 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.199 -3.003 -8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.389 -1.468 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.592 -3.015 -10.816 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.128 -2.590 -11.607 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.474 -0.582 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.914 -0.968 -7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.970 -0.480 -9.686 1.00 0.00 H new ATOM 138 N GLU A 12 -8.341 -5.511 -9.388 1.00 0.00 N ATOM 139 CA GLU A 12 -7.046 -6.109 -9.693 1.00 0.00 C ATOM 140 C GLU A 12 -7.216 -7.393 -10.499 1.00 0.00 C ATOM 141 O GLU A 12 -6.459 -7.659 -11.434 1.00 0.00 O ATOM 142 CB GLU A 12 -6.278 -6.402 -8.402 1.00 0.00 C ATOM 143 CG GLU A 12 -7.159 -6.905 -7.271 1.00 0.00 C ATOM 144 CD GLU A 12 -6.367 -7.594 -6.177 1.00 0.00 C ATOM 145 OE1 GLU A 12 -5.172 -7.269 -6.016 1.00 0.00 O ATOM 146 OE2 GLU A 12 -6.941 -8.458 -5.482 1.00 0.00 O ATOM 0 H GLU A 12 -8.475 -5.273 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.478 -5.397 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.507 -7.144 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.768 -5.494 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.709 -6.067 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.898 -7.599 -7.672 1.00 0.00 H new ATOM 153 N THR A 13 -8.216 -8.189 -10.131 1.00 0.00 N ATOM 154 CA THR A 13 -8.485 -9.446 -10.817 1.00 0.00 C ATOM 155 C THR A 13 -8.803 -9.212 -12.289 1.00 0.00 C ATOM 156 O THR A 13 -8.640 -10.106 -13.119 1.00 0.00 O ATOM 157 CB THR A 13 -9.657 -10.203 -10.164 1.00 0.00 C ATOM 158 OG1 THR A 13 -9.393 -10.407 -8.771 1.00 0.00 O ATOM 159 CG2 THR A 13 -9.881 -11.544 -10.845 1.00 0.00 C ATOM 0 H THR A 13 -8.853 -7.984 -9.361 1.00 0.00 H new ATOM 0 HA THR A 13 -7.581 -10.050 -10.735 1.00 0.00 H new ATOM 0 HB THR A 13 -10.558 -9.601 -10.278 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.143 -10.887 -8.363 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.713 -12.060 -10.367 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.111 -11.383 -11.898 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.980 -12.151 -10.759 1.00 0.00 H new ATOM 167 N ALA A 14 -9.258 -8.004 -12.606 1.00 0.00 N ATOM 168 CA ALA A 14 -9.598 -7.652 -13.979 1.00 0.00 C ATOM 169 C ALA A 14 -8.403 -7.037 -14.700 1.00 0.00 C ATOM 170 O ALA A 14 -8.413 -6.889 -15.923 1.00 0.00 O ATOM 171 CB ALA A 14 -10.781 -6.695 -14.002 1.00 0.00 C ATOM 0 H ALA A 14 -9.400 -7.253 -11.931 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.875 -8.566 -14.504 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.023 -6.441 -15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.643 -7.170 -13.533 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.525 -5.787 -13.455 1.00 0.00 H new ATOM 177 N CYS A 15 -7.377 -6.679 -13.936 1.00 0.00 N ATOM 178 CA CYS A 15 -6.176 -6.076 -14.502 1.00 0.00 C ATOM 179 C CYS A 15 -5.101 -7.131 -14.743 1.00 0.00 C ATOM 180 O CYS A 15 -4.095 -6.869 -15.404 1.00 0.00 O ATOM 181 CB CYS A 15 -5.639 -4.988 -13.571 1.00 0.00 C ATOM 182 SG CYS A 15 -6.851 -3.714 -13.150 1.00 0.00 S ATOM 0 H CYS A 15 -7.353 -6.796 -12.923 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.441 -5.627 -15.459 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.283 -5.454 -12.652 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.778 -4.514 -14.042 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.833 -4.251 -12.489 1.00 0.00 H new ATOM 188 N LYS A 16 -5.318 -8.325 -14.202 1.00 0.00 N ATOM 189 CA LYS A 16 -4.368 -9.420 -14.355 1.00 0.00 C ATOM 190 C LYS A 16 -4.478 -10.045 -15.742 1.00 0.00 C ATOM 191 O LYS A 16 -3.494 -10.128 -16.477 1.00 0.00 O ATOM 192 CB LYS A 16 -4.608 -10.485 -13.283 1.00 0.00 C ATOM 193 CG LYS A 16 -5.211 -9.934 -12.002 1.00 0.00 C ATOM 194 CD LYS A 16 -5.093 -10.927 -10.859 1.00 0.00 C ATOM 195 CE LYS A 16 -5.311 -10.255 -9.512 1.00 0.00 C ATOM 196 NZ LYS A 16 -5.773 -11.221 -8.477 1.00 0.00 N ATOM 0 H LYS A 16 -6.145 -8.559 -13.653 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.363 -9.015 -14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.270 -11.251 -13.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.662 -10.972 -13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.708 -9.005 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.261 -9.691 -12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.824 -11.724 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.107 -11.392 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.382 -9.789 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.047 -9.458 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.910 -10.723 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.673 -11.647 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.059 -11.968 -8.356 1.00 0.00 H new ATOM 210 N LEU A 17 -5.682 -10.483 -16.094 1.00 0.00 N ATOM 211 CA LEU A 17 -5.921 -11.102 -17.394 1.00 0.00 C ATOM 212 C LEU A 17 -5.866 -10.063 -18.509 1.00 0.00 C ATOM 213 O LEU A 17 -5.391 -10.343 -19.611 1.00 0.00 O ATOM 214 CB LEU A 17 -7.279 -11.805 -17.404 1.00 0.00 C ATOM 215 CG LEU A 17 -8.499 -10.909 -17.621 1.00 0.00 C ATOM 216 CD1 LEU A 17 -9.683 -11.727 -18.110 1.00 0.00 C ATOM 217 CD2 LEU A 17 -8.852 -10.169 -16.338 1.00 0.00 C ATOM 0 H LEU A 17 -6.508 -10.421 -15.498 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.136 -11.838 -17.568 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.267 -12.563 -18.187 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.402 -12.328 -16.455 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.253 -10.172 -18.386 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.541 -11.072 -18.259 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.427 -12.209 -19.053 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.931 -12.487 -17.369 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.722 -9.536 -16.511 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.078 -10.890 -15.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.009 -9.550 -16.031 1.00 0.00 H new ATOM 229 N LEU A 18 -6.353 -8.862 -18.217 1.00 0.00 N ATOM 230 CA LEU A 18 -6.356 -7.779 -19.194 1.00 0.00 C ATOM 231 C LEU A 18 -4.999 -7.085 -19.243 1.00 0.00 C ATOM 232 O LEU A 18 -4.672 -6.406 -20.216 1.00 0.00 O ATOM 233 CB LEU A 18 -7.449 -6.763 -18.856 1.00 0.00 C ATOM 234 CG LEU A 18 -8.865 -7.324 -18.712 1.00 0.00 C ATOM 235 CD1 LEU A 18 -9.800 -6.270 -18.140 1.00 0.00 C ATOM 236 CD2 LEU A 18 -9.379 -7.825 -20.053 1.00 0.00 C ATOM 0 H LEU A 18 -6.751 -8.614 -17.311 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.559 -8.209 -20.175 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.180 -6.266 -17.924 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.460 -5.999 -19.633 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.834 -8.166 -18.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.803 -6.686 -18.044 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.441 -5.959 -17.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.827 -5.408 -18.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.387 -8.220 -19.931 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.396 -7.001 -20.767 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.723 -8.613 -20.423 1.00 0.00 H new ATOM 248 N ASN A 19 -4.211 -7.262 -18.187 1.00 0.00 N ATOM 249 CA ASN A 19 -2.888 -6.654 -18.110 1.00 0.00 C ATOM 250 C ASN A 19 -2.974 -5.140 -18.280 1.00 0.00 C ATOM 251 O ASN A 19 -2.208 -4.547 -19.040 1.00 0.00 O ATOM 252 CB ASN A 19 -1.968 -7.247 -19.180 1.00 0.00 C ATOM 253 CG ASN A 19 -0.621 -6.553 -19.233 1.00 0.00 C ATOM 254 OD1 ASN A 19 -0.294 -5.884 -20.214 1.00 0.00 O ATOM 255 ND2 ASN A 19 0.168 -6.710 -18.177 1.00 0.00 N ATOM 0 H ASN A 19 -4.466 -7.821 -17.373 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.474 -6.868 -17.125 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.819 -8.308 -18.980 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.452 -7.171 -20.154 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.087 -6.267 -18.156 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.144 -7.273 -17.386 1.00 0.00 H new ATOM 262 N ILE A 20 -3.911 -4.523 -17.569 1.00 0.00 N ATOM 263 CA ILE A 20 -4.096 -3.079 -17.640 1.00 0.00 C ATOM 264 C ILE A 20 -3.927 -2.435 -16.268 1.00 0.00 C ATOM 265 O ILE A 20 -3.626 -3.112 -15.284 1.00 0.00 O ATOM 266 CB ILE A 20 -5.485 -2.716 -18.198 1.00 0.00 C ATOM 267 CG1 ILE A 20 -6.584 -3.316 -17.319 1.00 0.00 C ATOM 268 CG2 ILE A 20 -5.622 -3.200 -19.633 1.00 0.00 C ATOM 269 CD1 ILE A 20 -7.982 -2.945 -17.762 1.00 0.00 C ATOM 0 H ILE A 20 -4.554 -5.000 -16.937 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.331 -2.696 -18.315 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.592 -1.631 -18.190 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.487 -4.402 -17.321 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.437 -2.985 -16.291 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.609 -2.936 -20.013 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.857 -2.729 -20.250 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.498 -4.282 -19.665 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.710 -3.405 -17.094 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.097 -1.861 -17.733 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.148 -3.301 -18.779 1.00 0.00 H new ATOM 281 N THR A 21 -4.125 -1.121 -16.208 1.00 0.00 N ATOM 282 CA THR A 21 -3.995 -0.385 -14.957 1.00 0.00 C ATOM 283 C THR A 21 -5.344 -0.235 -14.265 1.00 0.00 C ATOM 284 O THR A 21 -6.336 0.139 -14.891 1.00 0.00 O ATOM 285 CB THR A 21 -3.391 1.013 -15.189 1.00 0.00 C ATOM 286 OG1 THR A 21 -2.977 1.580 -13.941 1.00 0.00 O ATOM 287 CG2 THR A 21 -4.398 1.933 -15.861 1.00 0.00 C ATOM 0 H THR A 21 -4.376 -0.545 -17.012 1.00 0.00 H new ATOM 0 HA THR A 21 -3.325 -0.961 -14.319 1.00 0.00 H new ATOM 0 HB THR A 21 -2.527 0.907 -15.844 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.592 2.468 -14.097 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.949 2.914 -16.014 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.689 1.513 -16.824 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.279 2.033 -15.227 1.00 0.00 H new ATOM 295 N ALA A 22 -5.375 -0.527 -12.969 1.00 0.00 N ATOM 296 CA ALA A 22 -6.604 -0.423 -12.191 1.00 0.00 C ATOM 297 C ALA A 22 -7.315 0.898 -12.463 1.00 0.00 C ATOM 298 O ALA A 22 -8.536 0.994 -12.337 1.00 0.00 O ATOM 299 CB ALA A 22 -6.302 -0.567 -10.707 1.00 0.00 C ATOM 0 H ALA A 22 -4.563 -0.838 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.268 -1.232 -12.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.228 -0.487 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.844 -1.539 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.617 0.222 -10.397 1.00 0.00 H new ATOM 305 N ASP A 23 -6.544 1.914 -12.835 1.00 0.00 N ATOM 306 CA ASP A 23 -7.101 3.230 -13.124 1.00 0.00 C ATOM 307 C ASP A 23 -7.683 3.277 -14.533 1.00 0.00 C ATOM 308 O ASP A 23 -6.985 3.073 -15.527 1.00 0.00 O ATOM 309 CB ASP A 23 -6.027 4.308 -12.966 1.00 0.00 C ATOM 310 CG ASP A 23 -6.606 5.709 -12.979 1.00 0.00 C ATOM 311 OD1 ASP A 23 -7.678 5.902 -13.590 1.00 0.00 O ATOM 312 OD2 ASP A 23 -5.987 6.612 -12.378 1.00 0.00 O ATOM 0 H ASP A 23 -5.532 1.851 -12.943 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.904 3.421 -12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.491 4.148 -12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.299 4.212 -13.771 1.00 0.00 H new ATOM 317 N PRO A 24 -8.993 3.550 -14.624 1.00 0.00 N ATOM 318 CA PRO A 24 -9.698 3.630 -15.907 1.00 0.00 C ATOM 319 C PRO A 24 -9.287 4.853 -16.719 1.00 0.00 C ATOM 320 O PRO A 24 -9.259 4.812 -17.949 1.00 0.00 O ATOM 321 CB PRO A 24 -11.170 3.730 -15.497 1.00 0.00 C ATOM 322 CG PRO A 24 -11.143 4.317 -14.129 1.00 0.00 C ATOM 323 CD PRO A 24 -9.887 3.802 -13.481 1.00 0.00 C ATOM 0 HA PRO A 24 -9.477 2.776 -16.548 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.731 4.360 -16.187 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.649 2.751 -15.498 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.141 5.406 -14.172 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.025 4.022 -13.560 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.462 4.532 -12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.073 2.893 -12.909 1.00 0.00 H new ATOM 331 N MET A 25 -8.969 5.940 -16.023 1.00 0.00 N ATOM 332 CA MET A 25 -8.556 7.174 -16.681 1.00 0.00 C ATOM 333 C MET A 25 -7.163 7.030 -17.284 1.00 0.00 C ATOM 334 O MET A 25 -6.678 7.928 -17.973 1.00 0.00 O ATOM 335 CB MET A 25 -8.577 8.338 -15.688 1.00 0.00 C ATOM 336 CG MET A 25 -9.910 9.066 -15.634 1.00 0.00 C ATOM 337 SD MET A 25 -9.757 10.750 -15.005 1.00 0.00 S ATOM 338 CE MET A 25 -9.115 11.593 -16.449 1.00 0.00 C ATOM 0 H MET A 25 -8.989 5.991 -15.004 1.00 0.00 H new ATOM 0 HA MET A 25 -9.261 7.380 -17.487 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.338 7.961 -14.694 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.795 9.048 -15.957 1.00 0.00 H new ATOM 0 HG2 MET A 25 -10.345 9.094 -16.633 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.599 8.507 -15.001 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.034 12.660 -16.241 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.131 11.195 -16.695 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.790 11.438 -17.291 1.00 0.00 H new ATOM 348 N ASP A 26 -6.523 5.896 -17.020 1.00 0.00 N ATOM 349 CA ASP A 26 -5.185 5.634 -17.537 1.00 0.00 C ATOM 350 C ASP A 26 -5.234 4.642 -18.694 1.00 0.00 C ATOM 351 O ASP A 26 -4.236 4.426 -19.381 1.00 0.00 O ATOM 352 CB ASP A 26 -4.282 5.097 -16.425 1.00 0.00 C ATOM 353 CG ASP A 26 -3.616 6.205 -15.634 1.00 0.00 C ATOM 354 OD1 ASP A 26 -4.334 6.947 -14.931 1.00 0.00 O ATOM 355 OD2 ASP A 26 -2.376 6.329 -15.716 1.00 0.00 O ATOM 0 H ASP A 26 -6.910 5.143 -16.451 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.774 6.574 -17.906 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.872 4.477 -15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.516 4.455 -16.861 1.00 0.00 H new ATOM 360 N TRP A 27 -6.400 4.042 -18.903 1.00 0.00 N ATOM 361 CA TRP A 27 -6.578 3.071 -19.977 1.00 0.00 C ATOM 362 C TRP A 27 -6.066 3.625 -21.302 1.00 0.00 C ATOM 363 O TRP A 27 -6.768 4.368 -21.987 1.00 0.00 O ATOM 364 CB TRP A 27 -8.054 2.688 -20.106 1.00 0.00 C ATOM 365 CG TRP A 27 -8.523 1.759 -19.028 1.00 0.00 C ATOM 366 CD1 TRP A 27 -7.753 0.910 -18.285 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.869 1.583 -18.574 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.539 0.217 -17.397 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.841 0.613 -17.553 1.00 0.00 C ATOM 370 CE3 TRP A 27 -11.095 2.153 -18.928 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.992 0.201 -16.887 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -12.236 1.742 -18.266 1.00 0.00 C ATOM 373 CH2 TRP A 27 -12.179 0.775 -17.254 1.00 0.00 C ATOM 0 H TRP A 27 -7.236 4.210 -18.344 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.999 2.181 -19.729 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.660 3.594 -20.084 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.217 2.219 -21.076 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.683 0.800 -18.382 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.207 -0.479 -16.730 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.150 2.901 -19.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.950 -0.546 -16.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -13.189 2.174 -18.534 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -13.089 0.477 -16.754 1.00 0.00 H new ATOM 384 N SER A 28 -4.839 3.258 -21.657 1.00 0.00 N ATOM 385 CA SER A 28 -4.231 3.721 -22.899 1.00 0.00 C ATOM 386 C SER A 28 -3.112 2.783 -23.339 1.00 0.00 C ATOM 387 O SER A 28 -2.532 2.049 -22.540 1.00 0.00 O ATOM 388 CB SER A 28 -3.685 5.140 -22.725 1.00 0.00 C ATOM 389 OG SER A 28 -3.112 5.312 -21.441 1.00 0.00 O ATOM 0 H SER A 28 -4.246 2.641 -21.102 1.00 0.00 H new ATOM 0 HA SER A 28 -5.000 3.727 -23.672 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.936 5.341 -23.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.489 5.862 -22.868 1.00 0.00 H new ATOM 0 HG SER A 28 -3.808 5.219 -20.757 1.00 0.00 H new ATOM 395 N PRO A 29 -2.800 2.807 -24.644 1.00 0.00 N ATOM 396 CA PRO A 29 -3.485 3.676 -25.605 1.00 0.00 C ATOM 397 C PRO A 29 -4.924 3.241 -25.857 1.00 0.00 C ATOM 398 O PRO A 29 -5.837 4.067 -25.884 1.00 0.00 O ATOM 399 CB PRO A 29 -2.649 3.523 -26.879 1.00 0.00 C ATOM 400 CG PRO A 29 -2.003 2.188 -26.750 1.00 0.00 C ATOM 401 CD PRO A 29 -1.755 1.988 -25.280 1.00 0.00 C ATOM 0 HA PRO A 29 -3.558 4.703 -25.247 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.273 3.576 -27.771 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.906 4.316 -26.962 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.646 1.403 -27.147 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.070 2.150 -27.312 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.839 0.939 -24.997 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.756 2.317 -24.992 1.00 0.00 H new ATOM 409 N SER A 30 -5.121 1.940 -26.042 1.00 0.00 N ATOM 410 CA SER A 30 -6.449 1.396 -26.296 1.00 0.00 C ATOM 411 C SER A 30 -6.824 0.361 -25.239 1.00 0.00 C ATOM 412 O SER A 30 -7.430 -0.665 -25.547 1.00 0.00 O ATOM 413 CB SER A 30 -6.507 0.763 -27.688 1.00 0.00 C ATOM 414 OG SER A 30 -5.589 -0.311 -27.798 1.00 0.00 O ATOM 0 H SER A 30 -4.377 1.243 -26.021 1.00 0.00 H new ATOM 0 HA SER A 30 -7.165 2.216 -26.247 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.517 0.404 -27.886 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.283 1.516 -28.443 1.00 0.00 H new ATOM 0 HG SER A 30 -5.646 -0.700 -28.696 1.00 0.00 H new ATOM 420 N ASN A 31 -6.459 0.640 -23.992 1.00 0.00 N ATOM 421 CA ASN A 31 -6.755 -0.267 -22.889 1.00 0.00 C ATOM 422 C ASN A 31 -8.260 -0.378 -22.665 1.00 0.00 C ATOM 423 O ASN A 31 -8.762 -1.425 -22.254 1.00 0.00 O ATOM 424 CB ASN A 31 -6.071 0.216 -21.607 1.00 0.00 C ATOM 425 CG ASN A 31 -4.659 -0.318 -21.469 1.00 0.00 C ATOM 426 OD1 ASN A 31 -4.328 -0.982 -20.487 1.00 0.00 O ATOM 427 ND2 ASN A 31 -3.818 -0.030 -22.456 1.00 0.00 N ATOM 0 H ASN A 31 -5.958 1.486 -23.720 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.371 -1.253 -23.149 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.047 1.306 -21.600 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.660 -0.095 -20.745 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.855 -0.363 -22.418 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.136 0.524 -23.251 1.00 0.00 H new ATOM 434 N VAL A 32 -8.975 0.708 -22.938 1.00 0.00 N ATOM 435 CA VAL A 32 -10.423 0.733 -22.768 1.00 0.00 C ATOM 436 C VAL A 32 -11.065 -0.523 -23.346 1.00 0.00 C ATOM 437 O VAL A 32 -11.937 -1.129 -22.723 1.00 0.00 O ATOM 438 CB VAL A 32 -11.046 1.971 -23.441 1.00 0.00 C ATOM 439 CG1 VAL A 32 -12.545 1.783 -23.621 1.00 0.00 C ATOM 440 CG2 VAL A 32 -10.751 3.223 -22.629 1.00 0.00 C ATOM 0 H VAL A 32 -8.575 1.583 -23.278 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.616 0.776 -21.696 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.598 2.091 -24.427 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.968 2.667 -24.098 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.730 0.910 -24.247 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.013 1.637 -22.647 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.198 4.088 -23.119 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.170 3.115 -21.629 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.673 3.364 -22.557 1.00 0.00 H new ATOM 450 N GLN A 33 -10.628 -0.909 -24.540 1.00 0.00 N ATOM 451 CA GLN A 33 -11.161 -2.094 -25.202 1.00 0.00 C ATOM 452 C GLN A 33 -11.117 -3.302 -24.273 1.00 0.00 C ATOM 453 O GLN A 33 -12.088 -4.052 -24.165 1.00 0.00 O ATOM 454 CB GLN A 33 -10.372 -2.389 -26.479 1.00 0.00 C ATOM 455 CG GLN A 33 -10.325 -1.220 -27.449 1.00 0.00 C ATOM 456 CD GLN A 33 -11.681 -0.905 -28.050 1.00 0.00 C ATOM 457 OE1 GLN A 33 -12.517 -1.792 -28.223 1.00 0.00 O ATOM 458 NE2 GLN A 33 -11.906 0.364 -28.371 1.00 0.00 N ATOM 0 H GLN A 33 -9.907 -0.419 -25.069 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.201 -1.897 -25.463 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.353 -2.668 -26.210 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.817 -3.249 -26.980 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.948 -0.338 -26.931 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.620 -1.445 -28.250 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.184 1.066 -28.210 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.801 0.636 -28.778 1.00 0.00 H new ATOM 467 N LYS A 34 -9.985 -3.486 -23.603 1.00 0.00 N ATOM 468 CA LYS A 34 -9.814 -4.603 -22.680 1.00 0.00 C ATOM 469 C LYS A 34 -10.886 -4.581 -21.595 1.00 0.00 C ATOM 470 O LYS A 34 -11.503 -5.604 -21.299 1.00 0.00 O ATOM 471 CB LYS A 34 -8.425 -4.554 -22.040 1.00 0.00 C ATOM 472 CG LYS A 34 -7.291 -4.500 -23.050 1.00 0.00 C ATOM 473 CD LYS A 34 -6.035 -5.166 -22.515 1.00 0.00 C ATOM 474 CE LYS A 34 -5.999 -6.646 -22.861 1.00 0.00 C ATOM 475 NZ LYS A 34 -5.494 -6.881 -24.242 1.00 0.00 N ATOM 0 H LYS A 34 -9.171 -2.876 -23.681 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.914 -5.529 -23.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.364 -3.681 -21.391 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.295 -5.432 -21.407 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.600 -4.992 -23.972 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.075 -3.461 -23.300 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.156 -4.673 -22.929 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.989 -5.043 -21.433 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.363 -7.170 -22.148 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.000 -7.066 -22.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.485 -7.902 -24.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.115 -6.402 -24.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.529 -6.503 -24.328 1.00 0.00 H new ATOM 489 N TRP A 35 -11.103 -3.410 -21.008 1.00 0.00 N ATOM 490 CA TRP A 35 -12.103 -3.256 -19.957 1.00 0.00 C ATOM 491 C TRP A 35 -13.510 -3.451 -20.511 1.00 0.00 C ATOM 492 O TRP A 35 -14.445 -3.751 -19.768 1.00 0.00 O ATOM 493 CB TRP A 35 -11.983 -1.875 -19.310 1.00 0.00 C ATOM 494 CG TRP A 35 -13.113 -1.556 -18.378 1.00 0.00 C ATOM 495 CD1 TRP A 35 -13.259 -1.987 -17.090 1.00 0.00 C ATOM 496 CD2 TRP A 35 -14.254 -0.740 -18.662 1.00 0.00 C ATOM 497 NE1 TRP A 35 -14.423 -1.488 -16.557 1.00 0.00 N ATOM 498 CE2 TRP A 35 -15.051 -0.719 -17.501 1.00 0.00 C ATOM 499 CE3 TRP A 35 -14.680 -0.023 -19.784 1.00 0.00 C ATOM 500 CZ2 TRP A 35 -16.248 -0.011 -17.432 1.00 0.00 C ATOM 501 CZ3 TRP A 35 -15.868 0.679 -19.714 1.00 0.00 C ATOM 502 CH2 TRP A 35 -16.640 0.682 -18.545 1.00 0.00 C ATOM 0 H TRP A 35 -10.601 -2.554 -21.241 1.00 0.00 H new ATOM 0 HA TRP A 35 -11.921 -4.021 -19.202 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.042 -1.819 -18.762 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.942 -1.117 -20.092 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.562 -2.626 -16.568 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.764 -1.662 -15.612 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.091 -0.018 -20.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -16.846 -0.009 -16.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.207 1.235 -20.575 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.563 1.242 -18.522 1.00 0.00 H new ATOM 513 N LEU A 36 -13.654 -3.280 -21.821 1.00 0.00 N ATOM 514 CA LEU A 36 -14.948 -3.439 -22.475 1.00 0.00 C ATOM 515 C LEU A 36 -15.244 -4.910 -22.748 1.00 0.00 C ATOM 516 O LEU A 36 -16.158 -5.491 -22.161 1.00 0.00 O ATOM 517 CB LEU A 36 -14.980 -2.649 -23.784 1.00 0.00 C ATOM 518 CG LEU A 36 -14.978 -1.126 -23.649 1.00 0.00 C ATOM 519 CD1 LEU A 36 -14.824 -0.469 -25.013 1.00 0.00 C ATOM 520 CD2 LEU A 36 -16.251 -0.649 -22.966 1.00 0.00 C ATOM 0 H LEU A 36 -12.891 -3.031 -22.451 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.716 -3.052 -21.805 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.118 -2.942 -24.383 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.870 -2.943 -24.341 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.128 -0.837 -23.031 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.825 0.615 -24.897 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.884 -0.785 -25.465 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.653 -0.766 -25.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.232 0.437 -22.879 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.116 -0.950 -23.557 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.319 -1.092 -21.972 1.00 0.00 H new ATOM 532 N LEU A 37 -14.463 -5.509 -23.642 1.00 0.00 N ATOM 533 CA LEU A 37 -14.640 -6.914 -23.992 1.00 0.00 C ATOM 534 C LEU A 37 -14.705 -7.783 -22.741 1.00 0.00 C ATOM 535 O LEU A 37 -15.183 -8.917 -22.785 1.00 0.00 O ATOM 536 CB LEU A 37 -13.496 -7.382 -24.894 1.00 0.00 C ATOM 537 CG LEU A 37 -12.101 -7.374 -24.267 1.00 0.00 C ATOM 538 CD1 LEU A 37 -11.810 -8.707 -23.595 1.00 0.00 C ATOM 539 CD2 LEU A 37 -11.046 -7.063 -25.319 1.00 0.00 C ATOM 0 H LEU A 37 -13.702 -5.044 -24.137 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.583 -7.014 -24.529 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.716 -8.395 -25.230 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.477 -6.749 -25.781 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.069 -6.593 -23.507 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.813 -8.683 -23.155 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.548 -8.889 -22.813 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.860 -9.506 -24.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.059 -7.061 -24.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.078 -7.821 -26.102 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.244 -6.084 -25.754 1.00 0.00 H new ATOM 551 N TRP A 38 -14.224 -7.244 -21.627 1.00 0.00 N ATOM 552 CA TRP A 38 -14.230 -7.970 -20.362 1.00 0.00 C ATOM 553 C TRP A 38 -15.648 -8.106 -19.818 1.00 0.00 C ATOM 554 O TRP A 38 -16.240 -9.185 -19.861 1.00 0.00 O ATOM 555 CB TRP A 38 -13.344 -7.259 -19.337 1.00 0.00 C ATOM 556 CG TRP A 38 -13.583 -7.712 -17.929 1.00 0.00 C ATOM 557 CD1 TRP A 38 -13.965 -6.936 -16.872 1.00 0.00 C ATOM 558 CD2 TRP A 38 -13.455 -9.046 -17.424 1.00 0.00 C ATOM 559 NE1 TRP A 38 -14.081 -7.707 -15.740 1.00 0.00 N ATOM 560 CE2 TRP A 38 -13.774 -9.005 -16.053 1.00 0.00 C ATOM 561 CE3 TRP A 38 -13.103 -10.271 -17.997 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -13.751 -10.141 -15.249 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -13.079 -11.398 -17.198 1.00 0.00 C ATOM 564 CH2 TRP A 38 -13.402 -11.327 -15.837 1.00 0.00 C ATOM 0 H TRP A 38 -13.825 -6.307 -21.574 1.00 0.00 H new ATOM 0 HA TRP A 38 -13.833 -8.969 -20.544 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -12.298 -7.428 -19.593 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -13.518 -6.185 -19.400 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -14.149 -5.873 -16.919 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -14.352 -7.368 -14.817 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -12.854 -10.336 -19.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -13.999 -10.089 -14.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -12.807 -12.350 -17.630 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -13.375 -12.226 -15.239 1.00 0.00 H new ATOM 575 N THR A 39 -16.189 -7.004 -19.307 1.00 0.00 N ATOM 576 CA THR A 39 -17.538 -7.001 -18.756 1.00 0.00 C ATOM 577 C THR A 39 -18.579 -7.231 -19.846 1.00 0.00 C ATOM 578 O THR A 39 -19.620 -7.840 -19.603 1.00 0.00 O ATOM 579 CB THR A 39 -17.849 -5.673 -18.039 1.00 0.00 C ATOM 580 OG1 THR A 39 -16.788 -5.345 -17.135 1.00 0.00 O ATOM 581 CG2 THR A 39 -19.162 -5.764 -17.276 1.00 0.00 C ATOM 0 H THR A 39 -15.713 -6.103 -19.264 1.00 0.00 H new ATOM 0 HA THR A 39 -17.585 -7.816 -18.034 1.00 0.00 H new ATOM 0 HB THR A 39 -17.939 -4.891 -18.793 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.106 -6.049 -17.161 1.00 0.00 H new ATOM 0 HG21 THR A 39 -19.360 -4.815 -16.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.972 -5.985 -17.971 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.096 -6.557 -16.531 1.00 0.00 H new ATOM 589 N GLU A 40 -18.289 -6.742 -21.047 1.00 0.00 N ATOM 590 CA GLU A 40 -19.201 -6.896 -22.175 1.00 0.00 C ATOM 591 C GLU A 40 -19.606 -8.357 -22.352 1.00 0.00 C ATOM 592 O GLU A 40 -20.698 -8.656 -22.835 1.00 0.00 O ATOM 593 CB GLU A 40 -18.553 -6.376 -23.459 1.00 0.00 C ATOM 594 CG GLU A 40 -19.534 -6.187 -24.603 1.00 0.00 C ATOM 595 CD GLU A 40 -18.894 -6.397 -25.962 1.00 0.00 C ATOM 596 OE1 GLU A 40 -17.831 -5.792 -26.216 1.00 0.00 O ATOM 597 OE2 GLU A 40 -19.455 -7.165 -26.771 1.00 0.00 O ATOM 0 H GLU A 40 -17.430 -6.236 -21.264 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.097 -6.311 -21.967 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -18.064 -5.424 -23.250 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -17.774 -7.072 -23.771 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -20.363 -6.885 -24.484 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -19.953 -5.182 -24.555 1.00 0.00 H new ATOM 604 N HIS A 41 -18.717 -9.263 -21.957 1.00 0.00 N ATOM 605 CA HIS A 41 -18.980 -10.693 -22.072 1.00 0.00 C ATOM 606 C HIS A 41 -19.602 -11.235 -20.788 1.00 0.00 C ATOM 607 O HIS A 41 -20.115 -12.353 -20.761 1.00 0.00 O ATOM 608 CB HIS A 41 -17.688 -11.448 -22.385 1.00 0.00 C ATOM 609 CG HIS A 41 -17.811 -12.933 -22.236 1.00 0.00 C ATOM 610 ND1 HIS A 41 -17.982 -13.701 -21.135 1.00 0.00 N flip ATOM 611 CD2 HIS A 41 -17.759 -13.803 -23.305 1.00 0.00 C flip ATOM 612 CE1 HIS A 41 -18.031 -15.008 -21.554 1.00 0.00 C flip ATOM 613 NE2 HIS A 41 -17.895 -15.042 -22.867 1.00 0.00 N flip ATOM 0 H HIS A 41 -17.809 -9.032 -21.555 1.00 0.00 H new ATOM 0 HA HIS A 41 -19.686 -10.843 -22.889 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.380 -11.218 -23.405 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.898 -11.089 -21.725 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.628 -13.516 -24.338 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.160 -15.868 -20.914 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -17.895 -15.882 -23.445 1.00 0.00 H new ATOM 621 N GLN A 42 -19.550 -10.436 -19.728 1.00 0.00 N ATOM 622 CA GLN A 42 -20.107 -10.837 -18.441 1.00 0.00 C ATOM 623 C GLN A 42 -21.555 -10.379 -18.308 1.00 0.00 C ATOM 624 O GLN A 42 -22.305 -10.893 -17.478 1.00 0.00 O ATOM 625 CB GLN A 42 -19.270 -10.261 -17.297 1.00 0.00 C ATOM 626 CG GLN A 42 -17.800 -10.644 -17.366 1.00 0.00 C ATOM 627 CD GLN A 42 -17.157 -10.735 -15.996 1.00 0.00 C ATOM 628 OE1 GLN A 42 -16.625 -11.779 -15.615 1.00 0.00 O ATOM 629 NE2 GLN A 42 -17.201 -9.640 -15.247 1.00 0.00 N ATOM 0 H GLN A 42 -19.128 -9.507 -19.734 1.00 0.00 H new ATOM 0 HA GLN A 42 -20.083 -11.925 -18.387 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -19.355 -9.174 -17.307 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -19.682 -10.604 -16.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -17.702 -11.603 -17.874 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -17.264 -9.909 -17.967 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -17.652 -8.797 -15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.784 -9.642 -14.316 1.00 0.00 H new ATOM 638 N TYR A 43 -21.942 -9.410 -19.131 1.00 0.00 N ATOM 639 CA TYR A 43 -23.299 -8.880 -19.102 1.00 0.00 C ATOM 640 C TYR A 43 -23.998 -9.097 -20.441 1.00 0.00 C ATOM 641 O TYR A 43 -25.148 -8.698 -20.626 1.00 0.00 O ATOM 642 CB TYR A 43 -23.280 -7.389 -18.761 1.00 0.00 C ATOM 643 CG TYR A 43 -22.842 -7.098 -17.343 1.00 0.00 C ATOM 644 CD1 TYR A 43 -21.585 -7.481 -16.891 1.00 0.00 C ATOM 645 CD2 TYR A 43 -23.686 -6.442 -16.455 1.00 0.00 C ATOM 646 CE1 TYR A 43 -21.181 -7.218 -15.596 1.00 0.00 C ATOM 647 CE2 TYR A 43 -23.290 -6.173 -15.159 1.00 0.00 C ATOM 648 CZ TYR A 43 -22.037 -6.564 -14.734 1.00 0.00 C ATOM 649 OH TYR A 43 -21.639 -6.299 -13.444 1.00 0.00 O ATOM 0 H TYR A 43 -21.335 -8.976 -19.826 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.854 -9.416 -18.332 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -22.611 -6.875 -19.452 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -24.277 -6.976 -18.916 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -20.912 -7.993 -17.563 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -24.669 -6.137 -16.784 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -20.201 -7.523 -15.261 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.957 -5.660 -14.483 1.00 0.00 H new ATOM 0 HH TYR A 43 -20.909 -5.645 -13.455 1.00 0.00 H new ATOM 659 N ARG A 44 -23.294 -9.733 -21.371 1.00 0.00 N ATOM 660 CA ARG A 44 -23.844 -10.003 -22.694 1.00 0.00 C ATOM 661 C ARG A 44 -24.178 -8.703 -23.420 1.00 0.00 C ATOM 662 O ARG A 44 -25.281 -8.536 -23.941 1.00 0.00 O ATOM 663 CB ARG A 44 -25.097 -10.873 -22.581 1.00 0.00 C ATOM 664 CG ARG A 44 -24.950 -12.029 -21.605 1.00 0.00 C ATOM 665 CD ARG A 44 -23.825 -12.966 -22.016 1.00 0.00 C ATOM 666 NE ARG A 44 -24.298 -14.039 -22.887 1.00 0.00 N ATOM 667 CZ ARG A 44 -24.400 -13.924 -24.207 1.00 0.00 C ATOM 668 NH1 ARG A 44 -24.064 -12.789 -24.804 1.00 0.00 N ATOM 669 NH2 ARG A 44 -24.838 -14.945 -24.931 1.00 0.00 N ATOM 0 H ARG A 44 -22.342 -10.071 -21.233 1.00 0.00 H new ATOM 0 HA ARG A 44 -23.090 -10.538 -23.271 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -25.935 -10.250 -22.269 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -25.344 -11.269 -23.566 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -24.754 -11.640 -20.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -25.887 -12.584 -21.553 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -23.049 -12.398 -22.529 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -23.368 -13.397 -21.125 1.00 0.00 H new ATOM 0 HE ARG A 44 -24.565 -14.925 -22.458 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -23.726 -12.002 -24.250 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -24.143 -12.703 -25.817 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -25.097 -15.820 -24.475 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -24.916 -14.856 -25.944 1.00 0.00 H new ATOM 683 N LEU A 45 -23.218 -7.785 -23.449 1.00 0.00 N ATOM 684 CA LEU A 45 -23.410 -6.499 -24.111 1.00 0.00 C ATOM 685 C LEU A 45 -22.856 -6.529 -25.532 1.00 0.00 C ATOM 686 O LEU A 45 -21.981 -7.328 -25.866 1.00 0.00 O ATOM 687 CB LEU A 45 -22.731 -5.386 -23.310 1.00 0.00 C ATOM 688 CG LEU A 45 -22.577 -5.636 -21.810 1.00 0.00 C ATOM 689 CD1 LEU A 45 -21.608 -4.636 -21.199 1.00 0.00 C ATOM 690 CD2 LEU A 45 -23.930 -5.563 -21.116 1.00 0.00 C ATOM 0 H LEU A 45 -22.300 -7.907 -23.022 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.481 -6.301 -24.163 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.741 -5.214 -23.733 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.301 -4.467 -23.448 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.171 -6.638 -21.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.511 -4.829 -20.131 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.633 -4.736 -21.676 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -21.984 -3.625 -21.352 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.802 -5.743 -20.049 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.364 -4.575 -21.267 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.595 -6.319 -21.534 1.00 0.00 H new ATOM 702 N PRO A 46 -23.375 -5.637 -26.388 1.00 0.00 N ATOM 703 CA PRO A 46 -22.946 -5.540 -27.787 1.00 0.00 C ATOM 704 C PRO A 46 -21.529 -4.992 -27.921 1.00 0.00 C ATOM 705 O PRO A 46 -20.924 -4.525 -26.956 1.00 0.00 O ATOM 706 CB PRO A 46 -23.956 -4.568 -28.401 1.00 0.00 C ATOM 707 CG PRO A 46 -24.435 -3.745 -27.255 1.00 0.00 C ATOM 708 CD PRO A 46 -24.421 -4.655 -26.058 1.00 0.00 C ATOM 0 HA PRO A 46 -22.921 -6.514 -28.275 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -23.492 -3.947 -29.168 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -24.779 -5.101 -28.877 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -23.788 -2.882 -27.097 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -25.438 -3.362 -27.442 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -24.187 -4.111 -25.143 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.388 -5.134 -25.906 1.00 0.00 H new ATOM 716 N PRO A 47 -20.986 -5.048 -29.146 1.00 0.00 N ATOM 717 CA PRO A 47 -19.634 -4.560 -29.436 1.00 0.00 C ATOM 718 C PRO A 47 -19.537 -3.040 -29.355 1.00 0.00 C ATOM 719 O PRO A 47 -19.846 -2.338 -30.317 1.00 0.00 O ATOM 720 CB PRO A 47 -19.384 -5.037 -30.868 1.00 0.00 C ATOM 721 CG PRO A 47 -20.742 -5.170 -31.466 1.00 0.00 C ATOM 722 CD PRO A 47 -21.649 -5.592 -30.343 1.00 0.00 C ATOM 0 HA PRO A 47 -18.904 -4.930 -28.716 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.776 -4.323 -31.423 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.851 -5.988 -30.881 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.071 -4.226 -31.900 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.745 -5.908 -32.268 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.654 -5.188 -30.465 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -21.746 -6.676 -30.291 1.00 0.00 H new ATOM 730 N MET A 48 -19.105 -2.539 -28.203 1.00 0.00 N ATOM 731 CA MET A 48 -18.967 -1.102 -27.999 1.00 0.00 C ATOM 732 C MET A 48 -17.580 -0.625 -28.416 1.00 0.00 C ATOM 733 O MET A 48 -17.390 0.543 -28.754 1.00 0.00 O ATOM 734 CB MET A 48 -19.221 -0.747 -26.532 1.00 0.00 C ATOM 735 CG MET A 48 -20.462 -1.407 -25.953 1.00 0.00 C ATOM 736 SD MET A 48 -20.284 -1.806 -24.204 1.00 0.00 S ATOM 737 CE MET A 48 -21.913 -2.456 -23.838 1.00 0.00 C ATOM 0 H MET A 48 -18.844 -3.107 -27.397 1.00 0.00 H new ATOM 0 HA MET A 48 -19.707 -0.599 -28.621 1.00 0.00 H new ATOM 0 HB2 MET A 48 -18.354 -1.040 -25.940 1.00 0.00 H new ATOM 0 HB3 MET A 48 -19.318 0.335 -26.440 1.00 0.00 H new ATOM 0 HG2 MET A 48 -21.317 -0.744 -26.085 1.00 0.00 H new ATOM 0 HG3 MET A 48 -20.677 -2.319 -26.510 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.950 -2.781 -22.798 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.660 -1.679 -24.002 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.121 -3.304 -24.491 1.00 0.00 H new ATOM 747 N GLY A 49 -16.612 -1.536 -28.391 1.00 0.00 N ATOM 748 CA GLY A 49 -15.255 -1.188 -28.769 1.00 0.00 C ATOM 749 C GLY A 49 -15.205 -0.279 -29.981 1.00 0.00 C ATOM 750 O GLY A 49 -14.388 0.639 -30.046 1.00 0.00 O ATOM 0 H GLY A 49 -16.744 -2.509 -28.116 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.762 -0.697 -27.930 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.695 -2.099 -28.979 1.00 0.00 H new ATOM 754 N LYS A 50 -16.081 -0.536 -30.947 1.00 0.00 N ATOM 755 CA LYS A 50 -16.136 0.266 -32.164 1.00 0.00 C ATOM 756 C LYS A 50 -16.638 1.675 -31.865 1.00 0.00 C ATOM 757 O LYS A 50 -16.192 2.645 -32.478 1.00 0.00 O ATOM 758 CB LYS A 50 -17.044 -0.402 -33.199 1.00 0.00 C ATOM 759 CG LYS A 50 -17.173 0.384 -34.492 1.00 0.00 C ATOM 760 CD LYS A 50 -16.105 -0.015 -35.496 1.00 0.00 C ATOM 761 CE LYS A 50 -16.021 0.979 -36.644 1.00 0.00 C ATOM 762 NZ LYS A 50 -17.196 0.877 -37.553 1.00 0.00 N ATOM 0 H LYS A 50 -16.763 -1.294 -30.911 1.00 0.00 H new ATOM 0 HA LYS A 50 -15.126 0.338 -32.568 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.655 -1.395 -33.424 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.035 -0.539 -32.766 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.160 0.217 -34.924 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.094 1.450 -34.280 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.139 -0.077 -34.996 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.325 -1.008 -35.888 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.958 1.991 -36.244 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.107 0.803 -37.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.101 1.571 -38.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.242 -0.081 -37.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.067 1.070 -37.018 1.00 0.00 H new ATOM 776 N ALA A 51 -17.566 1.780 -30.920 1.00 0.00 N ATOM 777 CA ALA A 51 -18.125 3.071 -30.538 1.00 0.00 C ATOM 778 C ALA A 51 -17.194 3.811 -29.584 1.00 0.00 C ATOM 779 O ALA A 51 -17.191 5.041 -29.533 1.00 0.00 O ATOM 780 CB ALA A 51 -19.496 2.885 -29.904 1.00 0.00 C ATOM 0 H ALA A 51 -17.947 0.986 -30.405 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.233 3.674 -31.439 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -19.902 3.857 -29.623 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.165 2.405 -30.618 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -19.404 2.260 -29.016 1.00 0.00 H new ATOM 786 N PHE A 52 -16.406 3.055 -28.827 1.00 0.00 N ATOM 787 CA PHE A 52 -15.471 3.640 -27.874 1.00 0.00 C ATOM 788 C PHE A 52 -14.048 3.623 -28.426 1.00 0.00 C ATOM 789 O PHE A 52 -13.121 4.128 -27.794 1.00 0.00 O ATOM 790 CB PHE A 52 -15.523 2.882 -26.545 1.00 0.00 C ATOM 791 CG PHE A 52 -16.827 3.038 -25.818 1.00 0.00 C ATOM 792 CD1 PHE A 52 -18.012 2.608 -26.393 1.00 0.00 C ATOM 793 CD2 PHE A 52 -16.869 3.614 -24.558 1.00 0.00 C ATOM 794 CE1 PHE A 52 -19.215 2.749 -25.726 1.00 0.00 C ATOM 795 CE2 PHE A 52 -18.068 3.758 -23.886 1.00 0.00 C ATOM 796 CZ PHE A 52 -19.242 3.326 -24.471 1.00 0.00 C ATOM 0 H PHE A 52 -16.397 2.035 -28.855 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.764 4.676 -27.706 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -15.345 1.823 -26.732 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.714 3.233 -25.904 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -17.996 2.157 -27.374 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.954 3.954 -24.096 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -20.131 2.409 -26.185 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -18.087 4.208 -22.904 1.00 0.00 H new ATOM 0 HZ PHE A 52 -20.180 3.439 -23.948 1.00 0.00 H new ATOM 806 N GLN A 53 -13.886 3.038 -29.609 1.00 0.00 N ATOM 807 CA GLN A 53 -12.577 2.954 -30.245 1.00 0.00 C ATOM 808 C GLN A 53 -11.859 4.298 -30.194 1.00 0.00 C ATOM 809 O GLN A 53 -10.650 4.357 -29.971 1.00 0.00 O ATOM 810 CB GLN A 53 -12.722 2.495 -31.697 1.00 0.00 C ATOM 811 CG GLN A 53 -13.197 3.591 -32.637 1.00 0.00 C ATOM 812 CD GLN A 53 -13.213 3.150 -34.088 1.00 0.00 C ATOM 813 OE1 GLN A 53 -14.392 3.164 -34.698 1.00 0.00 O flip ATOM 814 NE2 GLN A 53 -12.177 2.799 -34.653 1.00 0.00 N flip ATOM 0 H GLN A 53 -14.644 2.616 -30.145 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.981 2.224 -29.697 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.761 2.118 -32.048 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.425 1.663 -31.738 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.199 3.905 -32.346 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.548 4.460 -32.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.292 2.804 -34.145 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.203 2.503 -35.629 1.00 0.00 H new ATOM 823 N GLU A 54 -12.611 5.374 -30.401 1.00 0.00 N ATOM 824 CA GLU A 54 -12.044 6.717 -30.380 1.00 0.00 C ATOM 825 C GLU A 54 -11.904 7.226 -28.949 1.00 0.00 C ATOM 826 O GLU A 54 -11.135 8.150 -28.679 1.00 0.00 O ATOM 827 CB GLU A 54 -12.918 7.676 -31.191 1.00 0.00 C ATOM 828 CG GLU A 54 -14.354 7.754 -30.699 1.00 0.00 C ATOM 829 CD GLU A 54 -14.568 8.871 -29.696 1.00 0.00 C ATOM 830 OE1 GLU A 54 -13.566 9.379 -29.151 1.00 0.00 O ATOM 831 OE2 GLU A 54 -15.737 9.238 -29.457 1.00 0.00 O ATOM 0 H GLU A 54 -13.614 5.342 -30.585 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.052 6.672 -30.830 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.477 8.672 -31.158 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.917 7.361 -32.235 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -15.018 7.903 -31.550 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.630 6.803 -30.243 1.00 0.00 H new ATOM 838 N LEU A 55 -12.652 6.618 -28.035 1.00 0.00 N ATOM 839 CA LEU A 55 -12.612 7.009 -26.630 1.00 0.00 C ATOM 840 C LEU A 55 -11.406 6.394 -25.927 1.00 0.00 C ATOM 841 O LEU A 55 -10.861 5.386 -26.376 1.00 0.00 O ATOM 842 CB LEU A 55 -13.900 6.581 -25.925 1.00 0.00 C ATOM 843 CG LEU A 55 -15.185 7.260 -26.403 1.00 0.00 C ATOM 844 CD1 LEU A 55 -16.406 6.495 -25.917 1.00 0.00 C ATOM 845 CD2 LEU A 55 -15.234 8.704 -25.926 1.00 0.00 C ATOM 0 H LEU A 55 -13.294 5.852 -28.241 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.522 8.094 -26.583 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.016 5.504 -26.045 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.787 6.772 -24.858 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.190 7.258 -27.493 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.310 6.993 -26.267 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.377 5.478 -26.308 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.407 6.465 -24.827 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.155 9.171 -26.275 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.205 8.729 -24.837 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.377 9.248 -26.324 1.00 0.00 H new ATOM 857 N ALA A 56 -10.996 7.007 -24.821 1.00 0.00 N ATOM 858 CA ALA A 56 -9.858 6.517 -24.054 1.00 0.00 C ATOM 859 C ALA A 56 -10.189 6.444 -22.567 1.00 0.00 C ATOM 860 O ALA A 56 -11.271 6.845 -22.142 1.00 0.00 O ATOM 861 CB ALA A 56 -8.645 7.406 -24.283 1.00 0.00 C ATOM 0 H ALA A 56 -11.435 7.844 -24.437 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.626 5.509 -24.398 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.802 7.028 -23.704 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.387 7.404 -25.342 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.875 8.424 -23.967 1.00 0.00 H new ATOM 867 N GLY A 57 -9.249 5.929 -21.781 1.00 0.00 N ATOM 868 CA GLY A 57 -9.461 5.812 -20.350 1.00 0.00 C ATOM 869 C GLY A 57 -9.998 7.090 -19.737 1.00 0.00 C ATOM 870 O GLY A 57 -10.922 7.057 -18.924 1.00 0.00 O ATOM 0 H GLY A 57 -8.344 5.591 -22.109 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.159 4.998 -20.155 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.520 5.548 -19.867 1.00 0.00 H new ATOM 874 N LYS A 58 -9.419 8.220 -20.126 1.00 0.00 N ATOM 875 CA LYS A 58 -9.844 9.516 -19.610 1.00 0.00 C ATOM 876 C LYS A 58 -11.273 9.831 -20.041 1.00 0.00 C ATOM 877 O LYS A 58 -12.146 10.061 -19.205 1.00 0.00 O ATOM 878 CB LYS A 58 -8.899 10.617 -20.096 1.00 0.00 C ATOM 879 CG LYS A 58 -8.726 10.647 -21.605 1.00 0.00 C ATOM 880 CD LYS A 58 -7.370 11.207 -22.000 1.00 0.00 C ATOM 881 CE LYS A 58 -6.290 10.136 -21.953 1.00 0.00 C ATOM 882 NZ LYS A 58 -4.931 10.726 -21.802 1.00 0.00 N ATOM 0 H LYS A 58 -8.653 8.265 -20.798 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.812 9.473 -18.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.278 11.583 -19.763 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.924 10.479 -19.629 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.835 9.639 -22.005 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.515 11.253 -22.051 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.426 11.625 -23.005 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.103 12.024 -21.330 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.486 9.458 -21.122 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.328 9.541 -22.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.223 9.965 -21.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.733 11.353 -22.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.886 11.273 -20.919 1.00 0.00 H new ATOM 896 N GLU A 59 -11.503 9.838 -21.350 1.00 0.00 N ATOM 897 CA GLU A 59 -12.827 10.124 -21.890 1.00 0.00 C ATOM 898 C GLU A 59 -13.905 9.371 -21.116 1.00 0.00 C ATOM 899 O GLU A 59 -14.724 9.976 -20.422 1.00 0.00 O ATOM 900 CB GLU A 59 -12.891 9.745 -23.372 1.00 0.00 C ATOM 901 CG GLU A 59 -11.824 10.420 -24.218 1.00 0.00 C ATOM 902 CD GLU A 59 -12.281 11.752 -24.780 1.00 0.00 C ATOM 903 OE1 GLU A 59 -13.481 11.881 -25.101 1.00 0.00 O ATOM 904 OE2 GLU A 59 -11.439 12.666 -24.899 1.00 0.00 O ATOM 0 H GLU A 59 -10.791 9.649 -22.055 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.009 11.194 -21.787 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.788 8.664 -23.467 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.874 10.008 -23.764 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.929 10.572 -23.614 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.545 9.760 -25.039 1.00 0.00 H new ATOM 911 N LEU A 60 -13.900 8.048 -21.240 1.00 0.00 N ATOM 912 CA LEU A 60 -14.877 7.211 -20.552 1.00 0.00 C ATOM 913 C LEU A 60 -15.210 7.781 -19.177 1.00 0.00 C ATOM 914 O LEU A 60 -16.353 8.155 -18.909 1.00 0.00 O ATOM 915 CB LEU A 60 -14.345 5.784 -20.410 1.00 0.00 C ATOM 916 CG LEU A 60 -14.716 4.815 -21.533 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.083 5.252 -22.846 1.00 0.00 C ATOM 918 CD2 LEU A 60 -14.287 3.399 -21.179 1.00 0.00 C ATOM 0 H LEU A 60 -13.230 7.532 -21.811 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.789 7.194 -21.149 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.258 5.828 -20.339 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.709 5.374 -19.468 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.799 4.826 -21.653 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.358 4.551 -23.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.438 6.249 -23.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.998 5.270 -22.739 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.559 2.723 -21.990 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.207 3.372 -21.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.787 3.086 -20.262 1.00 0.00 H new ATOM 930 N CYS A 61 -14.206 7.846 -18.310 1.00 0.00 N ATOM 931 CA CYS A 61 -14.392 8.371 -16.962 1.00 0.00 C ATOM 932 C CYS A 61 -14.884 9.814 -17.004 1.00 0.00 C ATOM 933 O CYS A 61 -15.605 10.261 -16.112 1.00 0.00 O ATOM 934 CB CYS A 61 -13.084 8.287 -16.174 1.00 0.00 C ATOM 935 SG CYS A 61 -13.070 9.274 -14.659 1.00 0.00 S ATOM 0 H CYS A 61 -13.255 7.542 -18.516 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.147 7.764 -16.463 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.893 7.245 -15.918 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.265 8.613 -16.815 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.042 10.069 -14.669 1.00 0.00 H new ATOM 941 N ALA A 62 -14.488 10.539 -18.045 1.00 0.00 N ATOM 942 CA ALA A 62 -14.887 11.932 -18.202 1.00 0.00 C ATOM 943 C ALA A 62 -16.294 12.037 -18.780 1.00 0.00 C ATOM 944 O ALA A 62 -16.901 13.108 -18.768 1.00 0.00 O ATOM 945 CB ALA A 62 -13.893 12.669 -19.088 1.00 0.00 C ATOM 0 H ALA A 62 -13.891 10.184 -18.792 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.892 12.397 -17.216 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.203 13.708 -19.197 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.903 12.632 -18.633 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.860 12.196 -20.069 1.00 0.00 H new ATOM 951 N MET A 63 -16.806 10.920 -19.286 1.00 0.00 N ATOM 952 CA MET A 63 -18.143 10.889 -19.869 1.00 0.00 C ATOM 953 C MET A 63 -19.207 10.773 -18.783 1.00 0.00 C ATOM 954 O MET A 63 -18.899 10.818 -17.592 1.00 0.00 O ATOM 955 CB MET A 63 -18.268 9.720 -20.848 1.00 0.00 C ATOM 956 CG MET A 63 -17.489 9.922 -22.138 1.00 0.00 C ATOM 957 SD MET A 63 -18.250 9.091 -23.546 1.00 0.00 S ATOM 958 CE MET A 63 -18.474 7.441 -22.885 1.00 0.00 C ATOM 0 H MET A 63 -16.316 10.025 -19.304 1.00 0.00 H new ATOM 0 HA MET A 63 -18.299 11.824 -20.408 1.00 0.00 H new ATOM 0 HB2 MET A 63 -17.919 8.810 -20.361 1.00 0.00 H new ATOM 0 HB3 MET A 63 -19.320 9.569 -21.088 1.00 0.00 H new ATOM 0 HG2 MET A 63 -17.413 10.989 -22.348 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.473 9.549 -22.007 1.00 0.00 H new ATOM 0 HE1 MET A 63 -18.380 6.711 -23.689 1.00 0.00 H new ATOM 0 HE2 MET A 63 -17.715 7.246 -22.127 1.00 0.00 H new ATOM 0 HE3 MET A 63 -19.464 7.360 -22.436 1.00 0.00 H new ATOM 968 N SER A 64 -20.460 10.625 -19.201 1.00 0.00 N ATOM 969 CA SER A 64 -21.570 10.506 -18.264 1.00 0.00 C ATOM 970 C SER A 64 -22.476 9.338 -18.639 1.00 0.00 C ATOM 971 O SER A 64 -22.615 8.999 -19.814 1.00 0.00 O ATOM 972 CB SER A 64 -22.380 11.804 -18.232 1.00 0.00 C ATOM 973 OG SER A 64 -21.540 12.923 -18.006 1.00 0.00 O ATOM 0 H SER A 64 -20.732 10.585 -20.183 1.00 0.00 H new ATOM 0 HA SER A 64 -21.157 10.319 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.911 11.928 -19.176 1.00 0.00 H new ATOM 0 HB3 SER A 64 -23.134 11.747 -17.447 1.00 0.00 H new ATOM 0 HG SER A 64 -22.081 13.740 -17.992 1.00 0.00 H new ATOM 979 N GLU A 65 -23.090 8.725 -17.632 1.00 0.00 N ATOM 980 CA GLU A 65 -23.983 7.595 -17.856 1.00 0.00 C ATOM 981 C GLU A 65 -24.746 7.755 -19.168 1.00 0.00 C ATOM 982 O GLU A 65 -24.635 6.923 -20.067 1.00 0.00 O ATOM 983 CB GLU A 65 -24.970 7.457 -16.694 1.00 0.00 C ATOM 984 CG GLU A 65 -25.463 6.036 -16.480 1.00 0.00 C ATOM 985 CD GLU A 65 -26.250 5.879 -15.193 1.00 0.00 C ATOM 986 OE1 GLU A 65 -25.648 6.025 -14.109 1.00 0.00 O ATOM 987 OE2 GLU A 65 -27.467 5.611 -15.270 1.00 0.00 O ATOM 0 H GLU A 65 -22.985 8.992 -16.653 1.00 0.00 H new ATOM 0 HA GLU A 65 -23.375 6.692 -17.917 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -24.493 7.809 -15.779 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -25.826 8.106 -16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -26.089 5.742 -17.322 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -24.610 5.358 -16.465 1.00 0.00 H new ATOM 994 N GLU A 66 -25.519 8.832 -19.269 1.00 0.00 N ATOM 995 CA GLU A 66 -26.300 9.100 -20.470 1.00 0.00 C ATOM 996 C GLU A 66 -25.430 8.999 -21.719 1.00 0.00 C ATOM 997 O GLU A 66 -25.842 8.431 -22.730 1.00 0.00 O ATOM 998 CB GLU A 66 -26.937 10.489 -20.391 1.00 0.00 C ATOM 999 CG GLU A 66 -28.114 10.566 -19.433 1.00 0.00 C ATOM 1000 CD GLU A 66 -27.799 9.973 -18.073 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -27.084 10.633 -17.290 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -28.266 8.850 -17.792 1.00 0.00 O ATOM 0 H GLU A 66 -25.621 9.532 -18.534 1.00 0.00 H new ATOM 0 HA GLU A 66 -27.088 8.349 -20.535 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -26.180 11.209 -20.081 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -27.270 10.784 -21.386 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -28.411 11.608 -19.311 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -28.965 10.041 -19.866 1.00 0.00 H new ATOM 1009 N GLN A 67 -24.225 9.554 -21.640 1.00 0.00 N ATOM 1010 CA GLN A 67 -23.297 9.527 -22.765 1.00 0.00 C ATOM 1011 C GLN A 67 -23.006 8.094 -23.197 1.00 0.00 C ATOM 1012 O GLN A 67 -23.035 7.775 -24.386 1.00 0.00 O ATOM 1013 CB GLN A 67 -21.993 10.235 -22.394 1.00 0.00 C ATOM 1014 CG GLN A 67 -22.189 11.669 -21.931 1.00 0.00 C ATOM 1015 CD GLN A 67 -22.260 12.650 -23.084 1.00 0.00 C ATOM 1016 OE1 GLN A 67 -21.288 13.343 -23.386 1.00 0.00 O ATOM 1017 NE2 GLN A 67 -23.415 12.714 -23.737 1.00 0.00 N ATOM 0 H GLN A 67 -23.868 10.027 -20.810 1.00 0.00 H new ATOM 0 HA GLN A 67 -23.762 10.051 -23.600 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -21.496 9.672 -21.604 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -21.328 10.229 -23.257 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -23.106 11.736 -21.345 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -21.368 11.949 -21.271 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.195 12.121 -23.453 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.522 13.356 -24.523 1.00 0.00 H new ATOM 1026 N PHE A 68 -22.727 7.233 -22.224 1.00 0.00 N ATOM 1027 CA PHE A 68 -22.428 5.833 -22.504 1.00 0.00 C ATOM 1028 C PHE A 68 -23.605 5.154 -23.198 1.00 0.00 C ATOM 1029 O PHE A 68 -23.429 4.182 -23.933 1.00 0.00 O ATOM 1030 CB PHE A 68 -22.090 5.093 -21.208 1.00 0.00 C ATOM 1031 CG PHE A 68 -20.674 5.298 -20.753 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -20.313 6.443 -20.062 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -19.703 4.345 -21.016 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -19.010 6.635 -19.641 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -18.399 4.531 -20.597 1.00 0.00 C ATOM 1036 CZ PHE A 68 -18.052 5.678 -19.910 1.00 0.00 C ATOM 0 H PHE A 68 -22.702 7.480 -21.235 1.00 0.00 H new ATOM 0 HA PHE A 68 -21.566 5.797 -23.170 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.768 5.426 -20.422 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.267 4.027 -21.351 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -21.058 7.195 -19.849 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -19.968 3.447 -21.554 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -18.742 7.532 -19.103 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.652 3.780 -20.807 1.00 0.00 H new ATOM 0 HZ PHE A 68 -17.033 5.826 -19.584 1.00 0.00 H new ATOM 1046 N ARG A 69 -24.805 5.674 -22.959 1.00 0.00 N ATOM 1047 CA ARG A 69 -26.011 5.118 -23.561 1.00 0.00 C ATOM 1048 C ARG A 69 -26.247 5.705 -24.949 1.00 0.00 C ATOM 1049 O ARG A 69 -26.992 5.144 -25.752 1.00 0.00 O ATOM 1050 CB ARG A 69 -27.224 5.390 -22.668 1.00 0.00 C ATOM 1051 CG ARG A 69 -27.015 4.987 -21.218 1.00 0.00 C ATOM 1052 CD ARG A 69 -28.302 5.102 -20.417 1.00 0.00 C ATOM 1053 NE ARG A 69 -28.950 6.397 -20.605 1.00 0.00 N ATOM 1054 CZ ARG A 69 -30.198 6.657 -20.229 1.00 0.00 C ATOM 1055 NH1 ARG A 69 -30.927 5.715 -19.647 1.00 0.00 N ATOM 1056 NH2 ARG A 69 -30.717 7.860 -20.435 1.00 0.00 N ATOM 0 H ARG A 69 -24.968 6.479 -22.353 1.00 0.00 H new ATOM 0 HA ARG A 69 -25.874 4.041 -23.660 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -27.465 6.452 -22.710 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -28.085 4.852 -23.065 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -26.648 3.962 -21.174 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -26.249 5.620 -20.770 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -28.986 4.308 -20.715 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -28.085 4.956 -19.359 1.00 0.00 H new ATOM 0 HE ARG A 69 -28.415 7.143 -21.049 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -30.530 4.789 -19.487 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -31.885 5.916 -19.359 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -30.158 8.587 -20.882 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -31.675 8.058 -20.146 1.00 0.00 H new ATOM 1070 N GLN A 70 -25.607 6.837 -25.224 1.00 0.00 N ATOM 1071 CA GLN A 70 -25.748 7.500 -26.515 1.00 0.00 C ATOM 1072 C GLN A 70 -25.054 6.703 -27.615 1.00 0.00 C ATOM 1073 O GLN A 70 -25.429 6.784 -28.784 1.00 0.00 O ATOM 1074 CB GLN A 70 -25.169 8.915 -26.451 1.00 0.00 C ATOM 1075 CG GLN A 70 -25.988 9.869 -25.596 1.00 0.00 C ATOM 1076 CD GLN A 70 -27.185 10.434 -26.335 1.00 0.00 C ATOM 1077 OE1 GLN A 70 -27.289 10.314 -27.556 1.00 0.00 O ATOM 1078 NE2 GLN A 70 -28.098 11.054 -25.597 1.00 0.00 N ATOM 0 H GLN A 70 -24.986 7.314 -24.570 1.00 0.00 H new ATOM 0 HA GLN A 70 -26.811 7.560 -26.750 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -24.154 8.866 -26.056 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -25.098 9.316 -27.462 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -26.331 9.347 -24.703 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.352 10.689 -25.262 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -27.972 11.131 -24.588 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -28.926 11.454 -26.039 1.00 0.00 H new ATOM 1087 N ARG A 71 -24.040 5.934 -27.231 1.00 0.00 N ATOM 1088 CA ARG A 71 -23.292 5.125 -28.186 1.00 0.00 C ATOM 1089 C ARG A 71 -23.683 3.654 -28.074 1.00 0.00 C ATOM 1090 O ARG A 71 -23.600 2.904 -29.047 1.00 0.00 O ATOM 1091 CB ARG A 71 -21.788 5.283 -27.953 1.00 0.00 C ATOM 1092 CG ARG A 71 -21.422 5.562 -26.504 1.00 0.00 C ATOM 1093 CD ARG A 71 -19.919 5.710 -26.328 1.00 0.00 C ATOM 1094 NE ARG A 71 -19.458 7.054 -26.665 1.00 0.00 N ATOM 1095 CZ ARG A 71 -19.129 7.432 -27.895 1.00 0.00 C ATOM 1096 NH1 ARG A 71 -19.208 6.571 -28.900 1.00 0.00 N ATOM 1097 NH2 ARG A 71 -18.718 8.673 -28.121 1.00 0.00 N ATOM 0 H ARG A 71 -23.718 5.854 -26.266 1.00 0.00 H new ATOM 0 HA ARG A 71 -23.536 5.473 -29.190 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -21.281 4.375 -28.278 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -21.416 6.096 -28.576 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.920 6.473 -26.171 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -21.785 4.751 -25.873 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.651 5.483 -25.296 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -19.407 4.983 -26.958 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.385 7.741 -25.914 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.522 5.616 -28.730 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.955 6.864 -29.844 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.654 9.338 -27.350 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.465 8.963 -29.066 1.00 0.00 H new ATOM 1111 N SER A 72 -24.108 3.248 -26.882 1.00 0.00 N ATOM 1112 CA SER A 72 -24.508 1.866 -26.643 1.00 0.00 C ATOM 1113 C SER A 72 -25.816 1.807 -25.860 1.00 0.00 C ATOM 1114 O SER A 72 -25.841 1.910 -24.634 1.00 0.00 O ATOM 1115 CB SER A 72 -23.411 1.121 -25.880 1.00 0.00 C ATOM 1116 OG SER A 72 -23.746 -0.245 -25.710 1.00 0.00 O ATOM 0 H SER A 72 -24.184 3.856 -26.067 1.00 0.00 H new ATOM 0 HA SER A 72 -24.661 1.385 -27.609 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.468 1.203 -26.420 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.261 1.586 -24.906 1.00 0.00 H new ATOM 0 HG SER A 72 -23.551 -0.735 -26.536 1.00 0.00 H new ATOM 1122 N PRO A 73 -26.931 1.638 -26.586 1.00 0.00 N ATOM 1123 CA PRO A 73 -28.265 1.562 -25.982 1.00 0.00 C ATOM 1124 C PRO A 73 -28.469 0.276 -25.188 1.00 0.00 C ATOM 1125 O PRO A 73 -28.968 0.303 -24.062 1.00 0.00 O ATOM 1126 CB PRO A 73 -29.204 1.598 -27.191 1.00 0.00 C ATOM 1127 CG PRO A 73 -28.389 1.068 -28.320 1.00 0.00 C ATOM 1128 CD PRO A 73 -26.976 1.506 -28.052 1.00 0.00 C ATOM 0 HA PRO A 73 -28.436 2.368 -25.268 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -30.091 0.987 -27.022 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -29.549 2.612 -27.394 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -28.457 -0.019 -28.374 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -28.744 1.458 -29.274 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -26.253 0.774 -28.412 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -26.747 2.450 -28.547 1.00 0.00 H new ATOM 1136 N LEU A 74 -28.081 -0.848 -25.780 1.00 0.00 N ATOM 1137 CA LEU A 74 -28.221 -2.145 -25.127 1.00 0.00 C ATOM 1138 C LEU A 74 -27.359 -2.218 -23.871 1.00 0.00 C ATOM 1139 O LEU A 74 -27.625 -3.011 -22.969 1.00 0.00 O ATOM 1140 CB LEU A 74 -27.835 -3.268 -26.091 1.00 0.00 C ATOM 1141 CG LEU A 74 -28.143 -3.020 -27.568 1.00 0.00 C ATOM 1142 CD1 LEU A 74 -27.843 -4.262 -28.392 1.00 0.00 C ATOM 1143 CD2 LEU A 74 -29.594 -2.598 -27.746 1.00 0.00 C ATOM 0 H LEU A 74 -27.667 -0.888 -26.711 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.264 -2.267 -24.837 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -26.766 -3.455 -25.990 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -28.349 -4.178 -25.781 1.00 0.00 H new ATOM 0 HG LEU A 74 -27.504 -2.211 -27.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -28.068 -4.066 -29.440 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -26.789 -4.521 -28.290 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -28.456 -5.091 -28.038 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -29.796 -2.426 -28.803 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -30.250 -3.385 -27.375 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -29.777 -1.680 -27.187 1.00 0.00 H new ATOM 1155 N GLY A 75 -26.325 -1.383 -23.819 1.00 0.00 N ATOM 1156 CA GLY A 75 -25.441 -1.368 -22.668 1.00 0.00 C ATOM 1157 C GLY A 75 -25.422 -0.023 -21.970 1.00 0.00 C ATOM 1158 O GLY A 75 -26.163 0.199 -21.014 1.00 0.00 O ATOM 0 H GLY A 75 -26.084 -0.717 -24.553 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.756 -2.136 -21.962 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -24.430 -1.623 -22.987 1.00 0.00 H new ATOM 1162 N GLY A 76 -24.568 0.878 -22.448 1.00 0.00 N ATOM 1163 CA GLY A 76 -24.469 2.196 -21.849 1.00 0.00 C ATOM 1164 C GLY A 76 -24.370 2.141 -20.338 1.00 0.00 C ATOM 1165 O GLY A 76 -23.278 2.018 -19.784 1.00 0.00 O ATOM 0 H GLY A 76 -23.944 0.718 -23.239 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.594 2.708 -22.249 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.341 2.786 -22.131 1.00 0.00 H new ATOM 1169 N ASP A 77 -25.514 2.233 -19.668 1.00 0.00 N ATOM 1170 CA ASP A 77 -25.552 2.194 -18.211 1.00 0.00 C ATOM 1171 C ASP A 77 -24.549 1.182 -17.668 1.00 0.00 C ATOM 1172 O ASP A 77 -23.754 1.493 -16.781 1.00 0.00 O ATOM 1173 CB ASP A 77 -26.960 1.846 -17.726 1.00 0.00 C ATOM 1174 CG ASP A 77 -27.049 1.768 -16.214 1.00 0.00 C ATOM 1175 OD1 ASP A 77 -26.206 2.394 -15.537 1.00 0.00 O ATOM 1176 OD2 ASP A 77 -27.961 1.081 -15.709 1.00 0.00 O ATOM 0 H ASP A 77 -26.427 2.335 -20.111 1.00 0.00 H new ATOM 0 HA ASP A 77 -25.281 3.182 -17.838 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -27.662 2.596 -18.090 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -27.263 0.891 -18.155 1.00 0.00 H new ATOM 1181 N VAL A 78 -24.591 -0.033 -18.206 1.00 0.00 N ATOM 1182 CA VAL A 78 -23.686 -1.092 -17.776 1.00 0.00 C ATOM 1183 C VAL A 78 -22.250 -0.588 -17.693 1.00 0.00 C ATOM 1184 O VAL A 78 -21.547 -0.842 -16.714 1.00 0.00 O ATOM 1185 CB VAL A 78 -23.741 -2.300 -18.731 1.00 0.00 C ATOM 1186 CG1 VAL A 78 -23.423 -1.869 -20.155 1.00 0.00 C ATOM 1187 CG2 VAL A 78 -22.784 -3.388 -18.268 1.00 0.00 C ATOM 0 H VAL A 78 -25.243 -0.308 -18.941 1.00 0.00 H new ATOM 0 HA VAL A 78 -24.015 -1.406 -16.786 1.00 0.00 H new ATOM 0 HB VAL A 78 -24.752 -2.707 -18.717 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -23.466 -2.735 -20.816 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -24.151 -1.127 -20.482 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -22.423 -1.436 -20.189 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -22.835 -4.234 -18.954 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -21.767 -2.995 -18.252 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -23.063 -3.715 -17.266 1.00 0.00 H new ATOM 1197 N LEU A 79 -21.820 0.128 -18.726 1.00 0.00 N ATOM 1198 CA LEU A 79 -20.466 0.670 -18.770 1.00 0.00 C ATOM 1199 C LEU A 79 -20.237 1.656 -17.630 1.00 0.00 C ATOM 1200 O LEU A 79 -19.432 1.407 -16.731 1.00 0.00 O ATOM 1201 CB LEU A 79 -20.215 1.358 -20.113 1.00 0.00 C ATOM 1202 CG LEU A 79 -20.309 0.467 -21.352 1.00 0.00 C ATOM 1203 CD1 LEU A 79 -20.226 1.304 -22.619 1.00 0.00 C ATOM 1204 CD2 LEU A 79 -19.212 -0.588 -21.334 1.00 0.00 C ATOM 0 H LEU A 79 -22.389 0.347 -19.544 1.00 0.00 H new ATOM 0 HA LEU A 79 -19.766 -0.157 -18.656 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -20.931 2.172 -20.221 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -19.222 1.808 -20.088 1.00 0.00 H new ATOM 0 HG LEU A 79 -21.274 -0.040 -21.339 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -20.295 0.653 -23.490 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -21.047 2.021 -22.636 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.277 1.839 -22.640 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -19.294 -1.213 -22.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.238 -0.100 -21.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.318 -1.208 -20.444 1.00 0.00 H new ATOM 1216 N HIS A 80 -20.952 2.777 -17.670 1.00 0.00 N ATOM 1217 CA HIS A 80 -20.828 3.800 -16.639 1.00 0.00 C ATOM 1218 C HIS A 80 -20.964 3.189 -15.248 1.00 0.00 C ATOM 1219 O HIS A 80 -20.435 3.719 -14.271 1.00 0.00 O ATOM 1220 CB HIS A 80 -21.887 4.885 -16.837 1.00 0.00 C ATOM 1221 CG HIS A 80 -21.807 5.992 -15.831 1.00 0.00 C ATOM 1222 ND1 HIS A 80 -22.722 6.150 -14.812 1.00 0.00 N ATOM 1223 CD2 HIS A 80 -20.912 6.997 -15.690 1.00 0.00 C ATOM 1224 CE1 HIS A 80 -22.395 7.206 -14.089 1.00 0.00 C ATOM 1225 NE2 HIS A 80 -21.299 7.738 -14.600 1.00 0.00 N ATOM 0 H HIS A 80 -21.623 2.999 -18.406 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.838 4.248 -16.725 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -21.781 5.306 -17.837 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -22.876 4.429 -16.786 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -23.526 5.546 -14.643 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -20.053 7.182 -16.318 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -22.932 7.572 -13.227 1.00 0.00 H new ATOM 1233 N ALA A 81 -21.677 2.070 -15.165 1.00 0.00 N ATOM 1234 CA ALA A 81 -21.881 1.386 -13.894 1.00 0.00 C ATOM 1235 C ALA A 81 -20.647 0.584 -13.498 1.00 0.00 C ATOM 1236 O ALA A 81 -19.973 0.905 -12.518 1.00 0.00 O ATOM 1237 CB ALA A 81 -23.100 0.479 -13.973 1.00 0.00 C ATOM 0 H ALA A 81 -22.123 1.618 -15.963 1.00 0.00 H new ATOM 0 HA ALA A 81 -22.053 2.141 -13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -23.241 -0.026 -13.017 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -23.983 1.076 -14.202 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -22.951 -0.264 -14.757 1.00 0.00 H new ATOM 1243 N HIS A 82 -20.355 -0.462 -14.264 1.00 0.00 N ATOM 1244 CA HIS A 82 -19.201 -1.312 -13.992 1.00 0.00 C ATOM 1245 C HIS A 82 -17.920 -0.486 -13.935 1.00 0.00 C ATOM 1246 O HIS A 82 -16.902 -0.936 -13.407 1.00 0.00 O ATOM 1247 CB HIS A 82 -19.076 -2.397 -15.062 1.00 0.00 C ATOM 1248 CG HIS A 82 -18.470 -3.670 -14.556 1.00 0.00 C ATOM 1249 ND1 HIS A 82 -19.220 -4.764 -14.183 1.00 0.00 N ATOM 1250 CD2 HIS A 82 -17.176 -4.019 -14.365 1.00 0.00 C ATOM 1251 CE1 HIS A 82 -18.414 -5.732 -13.782 1.00 0.00 C ATOM 1252 NE2 HIS A 82 -17.169 -5.305 -13.883 1.00 0.00 N ATOM 0 H HIS A 82 -20.902 -0.742 -15.078 1.00 0.00 H new ATOM 0 HA HIS A 82 -19.350 -1.786 -13.022 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -20.065 -2.611 -15.468 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -18.469 -2.017 -15.884 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -16.311 -3.401 -14.556 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -18.722 -6.706 -13.432 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -16.337 -5.843 -13.642 1.00 0.00 H new ATOM 1260 N LEU A 83 -17.976 0.723 -14.483 1.00 0.00 N ATOM 1261 CA LEU A 83 -16.819 1.611 -14.497 1.00 0.00 C ATOM 1262 C LEU A 83 -16.698 2.368 -13.178 1.00 0.00 C ATOM 1263 O LEU A 83 -15.605 2.504 -12.627 1.00 0.00 O ATOM 1264 CB LEU A 83 -16.925 2.601 -15.658 1.00 0.00 C ATOM 1265 CG LEU A 83 -15.784 3.611 -15.786 1.00 0.00 C ATOM 1266 CD1 LEU A 83 -14.445 2.895 -15.864 1.00 0.00 C ATOM 1267 CD2 LEU A 83 -15.989 4.496 -17.006 1.00 0.00 C ATOM 0 H LEU A 83 -18.810 1.111 -14.923 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.925 1.001 -14.628 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -16.988 2.035 -16.587 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -17.860 3.151 -15.556 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.784 4.244 -14.899 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.645 3.629 -15.955 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -14.295 2.304 -14.960 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.434 2.237 -16.733 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -15.167 5.208 -17.081 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.016 3.878 -17.903 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.930 5.037 -16.909 1.00 0.00 H new ATOM 1279 N ASP A 84 -17.827 2.855 -12.676 1.00 0.00 N ATOM 1280 CA ASP A 84 -17.849 3.594 -11.419 1.00 0.00 C ATOM 1281 C ASP A 84 -16.936 2.939 -10.387 1.00 0.00 C ATOM 1282 O ASP A 84 -16.162 3.616 -9.710 1.00 0.00 O ATOM 1283 CB ASP A 84 -19.276 3.677 -10.876 1.00 0.00 C ATOM 1284 CG ASP A 84 -19.426 4.735 -9.800 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -19.497 5.931 -10.151 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -19.471 4.367 -8.608 1.00 0.00 O ATOM 0 H ASP A 84 -18.739 2.751 -13.120 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.483 4.602 -11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.961 3.896 -11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.564 2.707 -10.470 1.00 0.00 H new ATOM 1291 N ILE A 85 -17.033 1.619 -10.273 1.00 0.00 N ATOM 1292 CA ILE A 85 -16.215 0.872 -9.325 1.00 0.00 C ATOM 1293 C ILE A 85 -14.732 1.166 -9.527 1.00 0.00 C ATOM 1294 O ILE A 85 -13.976 1.286 -8.563 1.00 0.00 O ATOM 1295 CB ILE A 85 -16.448 -0.645 -9.452 1.00 0.00 C ATOM 1296 CG1 ILE A 85 -17.932 -0.971 -9.272 1.00 0.00 C ATOM 1297 CG2 ILE A 85 -15.608 -1.397 -8.431 1.00 0.00 C ATOM 1298 CD1 ILE A 85 -18.726 -0.903 -10.558 1.00 0.00 C ATOM 0 H ILE A 85 -17.670 1.044 -10.825 1.00 0.00 H new ATOM 0 HA ILE A 85 -16.515 1.195 -8.328 1.00 0.00 H new ATOM 0 HB ILE A 85 -16.143 -0.963 -10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -18.027 -1.971 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -18.363 -0.277 -8.551 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -15.784 -2.468 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.552 -1.185 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -15.885 -1.078 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -19.769 -1.146 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -18.662 0.103 -10.973 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -18.320 -1.617 -11.274 1.00 0.00 H new ATOM 1310 N TRP A 86 -14.324 1.282 -10.785 1.00 0.00 N ATOM 1311 CA TRP A 86 -12.932 1.563 -11.114 1.00 0.00 C ATOM 1312 C TRP A 86 -12.581 3.014 -10.804 1.00 0.00 C ATOM 1313 O TRP A 86 -11.806 3.294 -9.888 1.00 0.00 O ATOM 1314 CB TRP A 86 -12.665 1.266 -12.591 1.00 0.00 C ATOM 1315 CG TRP A 86 -12.870 -0.174 -12.954 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -14.030 -0.887 -12.852 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -11.887 -1.075 -13.474 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -13.828 -2.178 -13.278 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -12.521 -2.318 -13.666 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -10.533 -0.953 -13.799 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -11.846 -3.429 -14.166 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -9.865 -2.056 -14.295 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -10.522 -3.280 -14.475 1.00 0.00 C ATOM 0 H TRP A 86 -14.937 1.186 -11.594 1.00 0.00 H new ATOM 0 HA TRP A 86 -12.303 0.917 -10.501 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -13.321 1.885 -13.203 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.641 1.552 -12.832 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -14.969 -0.494 -12.490 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -14.536 -2.912 -13.302 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -10.018 -0.013 -13.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.350 -4.374 -14.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -8.818 -1.973 -14.548 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -9.972 -4.123 -14.866 1.00 0.00 H new ATOM 1334 N LYS A 87 -13.156 3.934 -11.570 1.00 0.00 N ATOM 1335 CA LYS A 87 -12.905 5.357 -11.376 1.00 0.00 C ATOM 1336 C LYS A 87 -12.955 5.722 -9.896 1.00 0.00 C ATOM 1337 O LYS A 87 -12.118 6.479 -9.405 1.00 0.00 O ATOM 1338 CB LYS A 87 -13.931 6.187 -12.152 1.00 0.00 C ATOM 1339 CG LYS A 87 -15.275 5.497 -12.313 1.00 0.00 C ATOM 1340 CD LYS A 87 -16.345 6.465 -12.789 1.00 0.00 C ATOM 1341 CE LYS A 87 -15.861 7.296 -13.967 1.00 0.00 C ATOM 1342 NZ LYS A 87 -16.994 7.839 -14.766 1.00 0.00 N ATOM 0 H LYS A 87 -13.800 3.720 -12.332 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.907 5.579 -11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.079 7.138 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.529 6.416 -13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.181 4.678 -13.026 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.577 5.059 -11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.238 5.909 -13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.630 7.125 -11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.246 8.119 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.226 6.683 -14.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.677 8.679 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.324 7.115 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.773 8.103 -14.129 1.00 0.00 H new ATOM 1356 N SER A 88 -13.940 5.177 -9.190 1.00 0.00 N ATOM 1357 CA SER A 88 -14.100 5.447 -7.766 1.00 0.00 C ATOM 1358 C SER A 88 -12.854 5.029 -6.991 1.00 0.00 C ATOM 1359 O SER A 88 -12.351 5.777 -6.153 1.00 0.00 O ATOM 1360 CB SER A 88 -15.325 4.710 -7.220 1.00 0.00 C ATOM 1361 OG SER A 88 -15.674 5.186 -5.932 1.00 0.00 O ATOM 0 H SER A 88 -14.639 4.546 -9.581 1.00 0.00 H new ATOM 0 HA SER A 88 -14.244 6.520 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 88 -16.166 4.842 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.119 3.641 -7.172 1.00 0.00 H new ATOM 0 HG SER A 88 -16.460 4.701 -5.606 1.00 0.00 H new ATOM 1367 N ALA A 89 -12.362 3.828 -7.276 1.00 0.00 N ATOM 1368 CA ALA A 89 -11.174 3.310 -6.609 1.00 0.00 C ATOM 1369 C ALA A 89 -9.920 4.042 -7.075 1.00 0.00 C ATOM 1370 O ALA A 89 -8.940 4.144 -6.338 1.00 0.00 O ATOM 1371 CB ALA A 89 -11.039 1.815 -6.857 1.00 0.00 C ATOM 0 H ALA A 89 -12.768 3.195 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.285 3.480 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.148 1.442 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.918 1.301 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.955 1.630 -7.928 1.00 0.00 H new ATOM 1377 N ALA A 90 -9.958 4.548 -8.303 1.00 0.00 N ATOM 1378 CA ALA A 90 -8.825 5.272 -8.866 1.00 0.00 C ATOM 1379 C ALA A 90 -8.797 6.715 -8.376 1.00 0.00 C ATOM 1380 O ALA A 90 -7.777 7.397 -8.482 1.00 0.00 O ATOM 1381 CB ALA A 90 -8.874 5.229 -10.386 1.00 0.00 C ATOM 0 H ALA A 90 -10.761 4.470 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.910 4.784 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.022 5.774 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.836 4.193 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.799 5.690 -10.733 1.00 0.00 H new