USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 483 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 35 SER OG : rot -147:sc= 1.45 USER MOD Set 1.2: A 38 GLN : amide:sc= 1.02 K(o=2.5,f=-2.4) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 13 THR OG1 : rot 142:sc= -1.71 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.02 K(o=-1,f=0.31) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= -0.377 (180deg=-2.52!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.83! C(o=-1.8!,f=-9.3!) USER MOD Single : A 40 MET CE :methyl -162:sc= -0.0737 (180deg=-0.667) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.0435 (180deg=-0.0435) USER MOD Single : A 42 MET CE :methyl -159:sc= -1.35 (180deg=-1.54) USER MOD Single : A 45 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 49 TYR OH : rot -4:sc= -2.61! USER MOD Single : A 50 SER OG : rot -25:sc= 0.122 USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0955) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 1.08 (180deg=-0.0764) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0648) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.63) USER MOD Single : A 65 TYR OH : rot -151:sc= 0.806 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.914 (180deg=0.773) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.182 0.150 -1.199 1.00 0.00 N ATOM 138 CA TRP A 11 12.844 1.568 -1.514 1.00 0.00 C ATOM 139 C TRP A 11 13.880 2.509 -0.895 1.00 0.00 C ATOM 140 O TRP A 11 14.294 2.338 0.234 1.00 0.00 O ATOM 141 CB TRP A 11 11.470 1.796 -0.883 1.00 0.00 C ATOM 142 CG TRP A 11 10.419 1.146 -1.723 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.787 1.735 -2.763 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.867 -0.199 -1.615 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.879 0.840 -3.297 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.893 -0.366 -2.626 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.113 -1.279 -0.748 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.188 -1.559 -2.773 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.405 -2.484 -0.896 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.445 -2.620 -1.904 1.00 0.00 C ATOM 0 HA TRP A 11 12.839 1.763 -2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.449 1.385 0.126 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.271 2.864 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.963 2.740 -3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.272 1.046 -4.091 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.850 -1.182 0.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.449 -1.662 -3.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.603 -3.309 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.902 -3.547 -2.010 1.00 0.00 H new ATOM 161 N ASN A 12 14.299 3.506 -1.626 1.00 0.00 N ATOM 162 CA ASN A 12 15.306 4.460 -1.080 1.00 0.00 C ATOM 163 C ASN A 12 14.729 5.879 -1.060 1.00 0.00 C ATOM 164 O ASN A 12 15.353 6.807 -0.583 1.00 0.00 O ATOM 165 CB ASN A 12 16.496 4.375 -2.036 1.00 0.00 C ATOM 166 CG ASN A 12 17.010 2.936 -2.080 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.027 2.253 -1.074 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.433 2.440 -3.211 1.00 0.00 N ATOM 0 H ASN A 12 13.988 3.701 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 12 15.592 4.219 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.199 4.697 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.289 5.046 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.777 1.481 -3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.419 3.012 -4.056 1.00 0.00 H new ATOM 175 N THR A 13 13.539 6.053 -1.570 1.00 0.00 N ATOM 176 CA THR A 13 12.921 7.411 -1.575 1.00 0.00 C ATOM 177 C THR A 13 11.466 7.330 -1.100 1.00 0.00 C ATOM 178 O THR A 13 10.833 6.296 -1.175 1.00 0.00 O ATOM 179 CB THR A 13 12.988 7.879 -3.030 1.00 0.00 C ATOM 180 OG1 THR A 13 12.120 7.084 -3.826 1.00 0.00 O ATOM 181 CG2 THR A 13 14.422 7.745 -3.544 1.00 0.00 C ATOM 0 H THR A 13 12.969 5.315 -1.983 1.00 0.00 H new ATOM 0 HA THR A 13 13.436 8.100 -0.906 1.00 0.00 H new ATOM 0 HB THR A 13 12.678 8.922 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.686 7.648 -4.500 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.470 8.078 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.086 8.358 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.734 6.702 -3.484 1.00 0.00 H new ATOM 189 N LYS A 14 10.935 8.415 -0.608 1.00 0.00 N ATOM 190 CA LYS A 14 9.525 8.406 -0.123 1.00 0.00 C ATOM 191 C LYS A 14 8.556 8.231 -1.296 1.00 0.00 C ATOM 192 O LYS A 14 7.540 7.574 -1.181 1.00 0.00 O ATOM 193 CB LYS A 14 9.327 9.773 0.532 1.00 0.00 C ATOM 194 CG LYS A 14 8.750 9.588 1.937 1.00 0.00 C ATOM 195 CD LYS A 14 7.322 10.137 1.979 1.00 0.00 C ATOM 196 CE LYS A 14 6.720 9.886 3.362 1.00 0.00 C ATOM 197 NZ LYS A 14 5.828 11.053 3.612 1.00 0.00 N ATOM 0 H LYS A 14 11.417 9.310 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 14 9.334 7.586 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.278 10.304 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.655 10.383 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.753 8.532 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.371 10.105 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.325 11.205 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.713 9.656 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.162 8.950 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.497 9.813 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.378 10.952 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.388 11.929 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.094 11.093 2.876 1.00 0.00 H new ATOM 211 N GLU A 15 8.859 8.818 -2.420 1.00 0.00 N ATOM 212 CA GLU A 15 7.951 8.693 -3.597 1.00 0.00 C ATOM 213 C GLU A 15 7.849 7.234 -4.048 1.00 0.00 C ATOM 214 O GLU A 15 6.773 6.716 -4.272 1.00 0.00 O ATOM 215 CB GLU A 15 8.603 9.546 -4.686 1.00 0.00 C ATOM 216 CG GLU A 15 7.981 9.211 -6.043 1.00 0.00 C ATOM 217 CD GLU A 15 8.691 10.010 -7.138 1.00 0.00 C ATOM 218 OE1 GLU A 15 9.693 9.527 -7.640 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.221 11.089 -7.457 1.00 0.00 O ATOM 0 H GLU A 15 9.696 9.379 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 15 6.936 9.020 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.466 10.604 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.677 9.362 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.069 8.143 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.917 9.448 -6.036 1.00 0.00 H new ATOM 226 N GLU A 16 8.960 6.572 -4.191 1.00 0.00 N ATOM 227 CA GLU A 16 8.929 5.148 -4.635 1.00 0.00 C ATOM 228 C GLU A 16 8.206 4.282 -3.603 1.00 0.00 C ATOM 229 O GLU A 16 7.359 3.478 -3.937 1.00 0.00 O ATOM 230 CB GLU A 16 10.396 4.736 -4.756 1.00 0.00 C ATOM 231 CG GLU A 16 10.990 5.338 -6.031 1.00 0.00 C ATOM 232 CD GLU A 16 11.799 4.271 -6.772 1.00 0.00 C ATOM 233 OE1 GLU A 16 11.290 3.173 -6.927 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.912 4.570 -7.171 1.00 0.00 O ATOM 0 H GLU A 16 9.891 6.953 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 16 8.394 5.023 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.954 5.079 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.479 3.649 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.194 5.716 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.628 6.186 -5.782 1.00 0.00 H new ATOM 241 N ALA A 17 8.534 4.438 -2.354 1.00 0.00 N ATOM 242 CA ALA A 17 7.863 3.621 -1.302 1.00 0.00 C ATOM 243 C ALA A 17 6.361 3.925 -1.289 1.00 0.00 C ATOM 244 O ALA A 17 5.533 3.032 -1.280 1.00 0.00 O ATOM 245 CB ALA A 17 8.512 4.057 0.011 1.00 0.00 C ATOM 0 H ALA A 17 9.237 5.094 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 17 7.973 2.550 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.071 3.500 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.583 3.859 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.345 5.123 0.163 1.00 0.00 H new ATOM 251 N LYS A 18 6.006 5.180 -1.307 1.00 0.00 N ATOM 252 CA LYS A 18 4.564 5.545 -1.313 1.00 0.00 C ATOM 253 C LYS A 18 3.917 5.032 -2.602 1.00 0.00 C ATOM 254 O LYS A 18 2.797 4.557 -2.607 1.00 0.00 O ATOM 255 CB LYS A 18 4.549 7.075 -1.273 1.00 0.00 C ATOM 256 CG LYS A 18 3.298 7.562 -0.541 1.00 0.00 C ATOM 257 CD LYS A 18 3.647 8.794 0.296 1.00 0.00 C ATOM 258 CE LYS A 18 2.607 9.892 0.052 1.00 0.00 C ATOM 259 NZ LYS A 18 3.052 10.591 -1.190 1.00 0.00 N ATOM 0 H LYS A 18 6.653 5.968 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 18 4.012 5.114 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.443 7.443 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.567 7.475 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.515 7.806 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.907 6.772 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.673 8.532 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.641 9.155 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.610 9.469 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.558 10.581 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.385 11.356 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.000 10.991 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.081 9.913 -1.978 1.00 0.00 H new ATOM 273 N GLN A 19 4.627 5.116 -3.696 1.00 0.00 N ATOM 274 CA GLN A 19 4.071 4.629 -4.988 1.00 0.00 C ATOM 275 C GLN A 19 3.900 3.110 -4.948 1.00 0.00 C ATOM 276 O GLN A 19 2.910 2.576 -5.405 1.00 0.00 O ATOM 277 CB GLN A 19 5.108 5.026 -6.038 1.00 0.00 C ATOM 278 CG GLN A 19 4.489 4.921 -7.433 1.00 0.00 C ATOM 279 CD GLN A 19 4.718 3.513 -7.988 1.00 0.00 C ATOM 280 OE1 GLN A 19 3.795 2.874 -8.452 1.00 0.00 O ATOM 281 NE2 GLN A 19 5.917 3.000 -7.958 1.00 0.00 N ATOM 0 H GLN A 19 5.570 5.502 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 19 3.090 5.053 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.452 6.044 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.981 4.377 -5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.421 5.136 -7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.934 5.662 -8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.692 3.537 -7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.080 2.062 -8.324 1.00 0.00 H new ATOM 290 N ALA A 20 4.857 2.409 -4.401 1.00 0.00 N ATOM 291 CA ALA A 20 4.739 0.925 -4.333 1.00 0.00 C ATOM 292 C ALA A 20 3.533 0.543 -3.478 1.00 0.00 C ATOM 293 O ALA A 20 2.827 -0.404 -3.768 1.00 0.00 O ATOM 294 CB ALA A 20 6.038 0.444 -3.686 1.00 0.00 C ATOM 0 H ALA A 20 5.711 2.798 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 20 4.593 0.474 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.023 -0.643 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.885 0.749 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.134 0.882 -2.693 1.00 0.00 H new ATOM 300 N PHE A 21 3.283 1.277 -2.428 1.00 0.00 N ATOM 301 CA PHE A 21 2.112 0.957 -1.563 1.00 0.00 C ATOM 302 C PHE A 21 0.815 1.198 -2.342 1.00 0.00 C ATOM 303 O PHE A 21 -0.096 0.391 -2.317 1.00 0.00 O ATOM 304 CB PHE A 21 2.218 1.908 -0.371 1.00 0.00 C ATOM 305 CG PHE A 21 1.379 1.379 0.769 1.00 0.00 C ATOM 306 CD1 PHE A 21 -0.007 1.584 0.769 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.984 0.685 1.826 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.788 1.097 1.824 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.201 0.199 2.883 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.184 0.405 2.881 1.00 0.00 C ATOM 0 H PHE A 21 3.836 2.081 -2.133 1.00 0.00 H new ATOM 0 HA PHE A 21 2.103 -0.084 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.258 2.003 -0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.879 2.904 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.473 2.118 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.052 0.525 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.856 1.255 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.666 -0.334 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.787 0.030 3.695 1.00 0.00 H new ATOM 320 N LYS A 22 0.721 2.294 -3.049 1.00 0.00 N ATOM 321 CA LYS A 22 -0.519 2.554 -3.835 1.00 0.00 C ATOM 322 C LYS A 22 -0.651 1.492 -4.929 1.00 0.00 C ATOM 323 O LYS A 22 -1.686 0.874 -5.093 1.00 0.00 O ATOM 324 CB LYS A 22 -0.326 3.940 -4.452 1.00 0.00 C ATOM 325 CG LYS A 22 -0.885 5.004 -3.504 1.00 0.00 C ATOM 326 CD LYS A 22 -0.835 6.374 -4.184 1.00 0.00 C ATOM 327 CE LYS A 22 -0.313 7.419 -3.194 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.781 8.730 -3.727 1.00 0.00 N ATOM 0 H LYS A 22 1.442 3.013 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.421 2.515 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.732 4.123 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.832 3.994 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.912 4.759 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.306 5.024 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.188 6.333 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.828 6.654 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.701 7.240 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.774 7.387 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.460 9.495 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.390 8.877 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.820 8.734 -3.775 1.00 0.00 H new ATOM 342 N GLU A 23 0.404 1.258 -5.663 1.00 0.00 N ATOM 343 CA GLU A 23 0.353 0.219 -6.729 1.00 0.00 C ATOM 344 C GLU A 23 0.064 -1.137 -6.087 1.00 0.00 C ATOM 345 O GLU A 23 -0.573 -1.993 -6.669 1.00 0.00 O ATOM 346 CB GLU A 23 1.743 0.233 -7.366 1.00 0.00 C ATOM 347 CG GLU A 23 1.867 -0.930 -8.354 1.00 0.00 C ATOM 348 CD GLU A 23 2.962 -0.616 -9.375 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.151 0.552 -9.671 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.593 -1.550 -9.843 1.00 0.00 O ATOM 0 H GLU A 23 1.297 1.741 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.424 0.405 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.909 1.180 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.509 0.151 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.105 -1.850 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.917 -1.093 -8.862 1.00 0.00 H new ATOM 357 N LEU A 24 0.523 -1.330 -4.881 1.00 0.00 N ATOM 358 CA LEU A 24 0.273 -2.618 -4.181 1.00 0.00 C ATOM 359 C LEU A 24 -1.234 -2.818 -4.012 1.00 0.00 C ATOM 360 O LEU A 24 -1.779 -3.840 -4.382 1.00 0.00 O ATOM 361 CB LEU A 24 0.960 -2.453 -2.825 1.00 0.00 C ATOM 362 CG LEU A 24 0.623 -3.628 -1.917 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.870 -4.934 -2.668 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.517 -3.569 -0.673 1.00 0.00 C ATOM 0 H LEU A 24 1.063 -0.647 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 24 0.651 -3.485 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.039 -2.388 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.641 -1.521 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.424 -3.579 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.630 -5.777 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.240 -4.968 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.917 -4.991 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.283 -4.407 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.563 -3.625 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.342 -2.633 -0.143 1.00 0.00 H new ATOM 376 N LEU A 25 -1.915 -1.841 -3.480 1.00 0.00 N ATOM 377 CA LEU A 25 -3.391 -1.973 -3.317 1.00 0.00 C ATOM 378 C LEU A 25 -4.036 -2.183 -4.687 1.00 0.00 C ATOM 379 O LEU A 25 -4.977 -2.944 -4.835 1.00 0.00 O ATOM 380 CB LEU A 25 -3.845 -0.651 -2.700 1.00 0.00 C ATOM 381 CG LEU A 25 -3.837 -0.773 -1.179 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.963 0.326 -0.578 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.264 -0.628 -0.659 1.00 0.00 C ATOM 0 H LEU A 25 -1.516 -0.961 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.672 -2.821 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.183 0.156 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.846 -0.398 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.436 -1.746 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.960 0.235 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.944 0.227 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.360 1.301 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.266 -0.714 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.659 0.347 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.888 -1.413 -1.086 1.00 0.00 H new ATOM 395 N LYS A 26 -3.526 -1.522 -5.692 1.00 0.00 N ATOM 396 CA LYS A 26 -4.094 -1.694 -7.057 1.00 0.00 C ATOM 397 C LYS A 26 -3.906 -3.144 -7.500 1.00 0.00 C ATOM 398 O LYS A 26 -4.799 -3.758 -8.047 1.00 0.00 O ATOM 399 CB LYS A 26 -3.289 -0.747 -7.948 1.00 0.00 C ATOM 400 CG LYS A 26 -4.100 -0.411 -9.201 1.00 0.00 C ATOM 401 CD LYS A 26 -3.491 0.811 -9.893 1.00 0.00 C ATOM 402 CE LYS A 26 -2.883 0.391 -11.232 1.00 0.00 C ATOM 403 NZ LYS A 26 -1.410 0.478 -11.030 1.00 0.00 N ATOM 0 H LYS A 26 -2.743 -0.872 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.160 -1.472 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.048 0.165 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.343 -1.210 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.106 -1.262 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.137 -0.210 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.256 1.571 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.725 1.257 -9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.185 -0.621 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.210 1.048 -12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.923 0.204 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.151 1.454 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.126 -0.163 -10.262 1.00 0.00 H new ATOM 417 N GLU A 27 -2.751 -3.700 -7.250 1.00 0.00 N ATOM 418 CA GLU A 27 -2.509 -5.116 -7.638 1.00 0.00 C ATOM 419 C GLU A 27 -3.359 -6.029 -6.753 1.00 0.00 C ATOM 420 O GLU A 27 -3.674 -7.147 -7.111 1.00 0.00 O ATOM 421 CB GLU A 27 -1.022 -5.353 -7.379 1.00 0.00 C ATOM 422 CG GLU A 27 -0.615 -6.711 -7.953 1.00 0.00 C ATOM 423 CD GLU A 27 0.725 -6.579 -8.675 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.057 -5.474 -9.071 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.397 -7.586 -8.823 1.00 0.00 O ATOM 0 H GLU A 27 -1.966 -3.234 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.771 -5.321 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.431 -4.560 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.819 -5.323 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.538 -7.447 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.378 -7.069 -8.644 1.00 0.00 H new ATOM 432 N LYS A 28 -3.737 -5.548 -5.601 1.00 0.00 N ATOM 433 CA LYS A 28 -4.576 -6.367 -4.681 1.00 0.00 C ATOM 434 C LYS A 28 -6.053 -6.179 -5.022 1.00 0.00 C ATOM 435 O LYS A 28 -6.926 -6.692 -4.349 1.00 0.00 O ATOM 436 CB LYS A 28 -4.282 -5.819 -3.283 1.00 0.00 C ATOM 437 CG LYS A 28 -3.125 -6.593 -2.652 1.00 0.00 C ATOM 438 CD LYS A 28 -1.817 -6.261 -3.372 1.00 0.00 C ATOM 439 CE LYS A 28 -0.821 -7.400 -3.158 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.485 -8.602 -3.735 1.00 0.00 N ATOM 0 H LYS A 28 -3.500 -4.618 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.357 -7.432 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.032 -4.760 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.170 -5.901 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.042 -6.340 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.319 -7.664 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.001 -6.118 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.406 -5.326 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.127 -7.195 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.602 -7.540 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.779 -9.185 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.921 -9.158 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.219 -8.303 -4.408 1.00 0.00 H new ATOM 454 N ARG A 29 -6.341 -5.439 -6.056 1.00 0.00 N ATOM 455 CA ARG A 29 -7.762 -5.209 -6.430 1.00 0.00 C ATOM 456 C ARG A 29 -8.532 -4.661 -5.226 1.00 0.00 C ATOM 457 O ARG A 29 -9.731 -4.826 -5.117 1.00 0.00 O ATOM 458 CB ARG A 29 -8.298 -6.584 -6.833 1.00 0.00 C ATOM 459 CG ARG A 29 -7.990 -6.841 -8.311 1.00 0.00 C ATOM 460 CD ARG A 29 -8.849 -5.918 -9.179 1.00 0.00 C ATOM 461 NE ARG A 29 -8.066 -5.732 -10.434 1.00 0.00 N ATOM 462 CZ ARG A 29 -8.685 -5.584 -11.573 1.00 0.00 C ATOM 463 NH1 ARG A 29 -9.734 -4.810 -11.651 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.255 -6.207 -12.637 1.00 0.00 N ATOM 0 H ARG A 29 -5.654 -4.984 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.868 -4.484 -7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.842 -7.358 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.373 -6.631 -6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.933 -6.664 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.191 -7.883 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.823 -6.362 -9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.031 -4.965 -8.682 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.047 -5.720 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.070 -4.321 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.218 -4.695 -12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.434 -6.810 -12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.740 -6.091 -13.527 1.00 0.00 H new ATOM 478 N VAL A 30 -7.853 -4.006 -4.319 1.00 0.00 N ATOM 479 CA VAL A 30 -8.560 -3.451 -3.127 1.00 0.00 C ATOM 480 C VAL A 30 -9.652 -2.481 -3.578 1.00 0.00 C ATOM 481 O VAL A 30 -9.401 -1.586 -4.359 1.00 0.00 O ATOM 482 CB VAL A 30 -7.489 -2.709 -2.324 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.150 -1.984 -1.151 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.462 -3.710 -1.788 1.00 0.00 C ATOM 0 H VAL A 30 -6.848 -3.833 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.039 -4.230 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.988 -1.987 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.390 -1.454 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.882 -1.271 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.650 -2.710 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.700 -3.179 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.961 -4.433 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.992 -4.231 -2.622 1.00 0.00 H new ATOM 494 N PRO A 31 -10.836 -2.689 -3.067 1.00 0.00 N ATOM 495 CA PRO A 31 -11.978 -1.818 -3.426 1.00 0.00 C ATOM 496 C PRO A 31 -11.813 -0.440 -2.782 1.00 0.00 C ATOM 497 O PRO A 31 -11.026 -0.257 -1.876 1.00 0.00 O ATOM 498 CB PRO A 31 -13.186 -2.549 -2.849 1.00 0.00 C ATOM 499 CG PRO A 31 -12.634 -3.380 -1.737 1.00 0.00 C ATOM 500 CD PRO A 31 -11.221 -3.740 -2.118 1.00 0.00 C ATOM 0 HA PRO A 31 -12.068 -1.646 -4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.936 -1.847 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.671 -3.169 -3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.652 -2.828 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.235 -4.278 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.564 -3.754 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.169 -4.729 -2.573 1.00 0.00 H new ATOM 508 N SER A 32 -12.551 0.529 -3.244 1.00 0.00 N ATOM 509 CA SER A 32 -12.440 1.895 -2.661 1.00 0.00 C ATOM 510 C SER A 32 -13.069 1.931 -1.265 1.00 0.00 C ATOM 511 O SER A 32 -12.964 2.910 -0.554 1.00 0.00 O ATOM 512 CB SER A 32 -13.212 2.799 -3.620 1.00 0.00 C ATOM 513 OG SER A 32 -14.594 2.765 -3.285 1.00 0.00 O ATOM 0 H SER A 32 -13.228 0.434 -4.001 1.00 0.00 H new ATOM 0 HA SER A 32 -11.403 2.211 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.836 3.820 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.067 2.467 -4.648 1.00 0.00 H new ATOM 0 HG SER A 32 -15.093 3.345 -3.897 1.00 0.00 H new ATOM 519 N ASN A 33 -13.729 0.876 -0.871 1.00 0.00 N ATOM 520 CA ASN A 33 -14.369 0.865 0.477 1.00 0.00 C ATOM 521 C ASN A 33 -13.738 -0.210 1.367 1.00 0.00 C ATOM 522 O ASN A 33 -14.265 -0.548 2.409 1.00 0.00 O ATOM 523 CB ASN A 33 -15.838 0.541 0.212 1.00 0.00 C ATOM 524 CG ASN A 33 -15.946 -0.835 -0.446 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.086 -1.675 -0.268 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.971 -1.102 -1.207 1.00 0.00 N ATOM 0 H ASN A 33 -13.853 0.025 -1.420 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.242 1.815 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.399 0.554 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.278 1.300 -0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.051 -2.016 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.693 -0.397 -1.356 1.00 0.00 H new ATOM 533 N ALA A 34 -12.618 -0.752 0.973 1.00 0.00 N ATOM 534 CA ALA A 34 -11.973 -1.804 1.813 1.00 0.00 C ATOM 535 C ALA A 34 -11.555 -1.224 3.165 1.00 0.00 C ATOM 536 O ALA A 34 -11.295 -0.045 3.294 1.00 0.00 O ATOM 537 CB ALA A 34 -10.736 -2.250 1.029 1.00 0.00 C ATOM 0 H ALA A 34 -12.124 -0.515 0.113 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.652 -2.633 2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.211 -3.025 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.042 -2.646 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.073 -1.398 0.880 1.00 0.00 H new ATOM 543 N SER A 35 -11.472 -2.050 4.170 1.00 0.00 N ATOM 544 CA SER A 35 -11.049 -1.556 5.510 1.00 0.00 C ATOM 545 C SER A 35 -9.538 -1.726 5.642 1.00 0.00 C ATOM 546 O SER A 35 -8.940 -2.522 4.947 1.00 0.00 O ATOM 547 CB SER A 35 -11.775 -2.451 6.512 1.00 0.00 C ATOM 548 OG SER A 35 -11.152 -3.730 6.532 1.00 0.00 O ATOM 0 H SER A 35 -11.679 -3.048 4.121 1.00 0.00 H new ATOM 0 HA SER A 35 -11.285 -0.504 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.746 -2.003 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.825 -2.549 6.237 1.00 0.00 H new ATOM 0 HG SER A 35 -11.825 -4.419 6.713 1.00 0.00 H new ATOM 554 N TRP A 36 -8.903 -0.999 6.518 1.00 0.00 N ATOM 555 CA TRP A 36 -7.432 -1.166 6.646 1.00 0.00 C ATOM 556 C TRP A 36 -7.105 -2.638 6.886 1.00 0.00 C ATOM 557 O TRP A 36 -6.081 -3.122 6.472 1.00 0.00 O ATOM 558 CB TRP A 36 -6.997 -0.328 7.845 1.00 0.00 C ATOM 559 CG TRP A 36 -5.568 -0.654 8.147 1.00 0.00 C ATOM 560 CD1 TRP A 36 -5.091 -1.040 9.353 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.428 -0.645 7.239 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.730 -1.271 9.241 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.275 -1.040 7.956 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.284 -0.335 5.875 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.024 -1.126 7.339 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.027 -0.418 5.256 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.901 -0.812 5.985 1.00 0.00 C ATOM 0 H TRP A 36 -9.329 -0.311 7.138 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.914 -0.847 5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.107 0.734 7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.627 -0.543 8.708 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.675 -1.150 10.255 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.136 -1.575 10.012 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.146 -0.031 5.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.158 -1.433 7.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.929 -0.176 4.208 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.937 -0.873 5.501 1.00 0.00 H new ATOM 578 N GLU A 37 -7.963 -3.354 7.556 1.00 0.00 N ATOM 579 CA GLU A 37 -7.677 -4.795 7.813 1.00 0.00 C ATOM 580 C GLU A 37 -7.674 -5.579 6.497 1.00 0.00 C ATOM 581 O GLU A 37 -6.765 -6.337 6.216 1.00 0.00 O ATOM 582 CB GLU A 37 -8.808 -5.270 8.720 1.00 0.00 C ATOM 583 CG GLU A 37 -8.869 -4.376 9.959 1.00 0.00 C ATOM 584 CD GLU A 37 -9.405 -5.179 11.145 1.00 0.00 C ATOM 585 OE1 GLU A 37 -8.787 -6.175 11.488 1.00 0.00 O ATOM 586 OE2 GLU A 37 -10.423 -4.786 11.690 1.00 0.00 O ATOM 0 H GLU A 37 -8.845 -3.008 7.935 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.700 -4.945 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.757 -5.236 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.644 -6.307 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.877 -3.987 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.512 -3.517 9.768 1.00 0.00 H new ATOM 593 N GLN A 38 -8.683 -5.405 5.688 1.00 0.00 N ATOM 594 CA GLN A 38 -8.733 -6.143 4.394 1.00 0.00 C ATOM 595 C GLN A 38 -7.659 -5.619 3.444 1.00 0.00 C ATOM 596 O GLN A 38 -6.931 -6.374 2.828 1.00 0.00 O ATOM 597 CB GLN A 38 -10.125 -5.855 3.837 1.00 0.00 C ATOM 598 CG GLN A 38 -11.104 -6.895 4.369 1.00 0.00 C ATOM 599 CD GLN A 38 -12.276 -6.192 5.057 1.00 0.00 C ATOM 600 OE1 GLN A 38 -12.293 -6.057 6.265 1.00 0.00 O ATOM 601 NE2 GLN A 38 -13.262 -5.737 4.334 1.00 0.00 N ATOM 0 H GLN A 38 -9.473 -4.785 5.866 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.551 -7.211 4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.446 -4.855 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.106 -5.880 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.469 -7.517 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.600 -7.557 5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.246 -5.851 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.049 -5.267 4.782 1.00 0.00 H new ATOM 610 N ALA A 39 -7.554 -4.330 3.328 1.00 0.00 N ATOM 611 CA ALA A 39 -6.530 -3.745 2.420 1.00 0.00 C ATOM 612 C ALA A 39 -5.122 -4.010 2.956 1.00 0.00 C ATOM 613 O ALA A 39 -4.211 -4.283 2.206 1.00 0.00 O ATOM 614 CB ALA A 39 -6.825 -2.244 2.404 1.00 0.00 C ATOM 0 H ALA A 39 -8.133 -3.652 3.823 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.572 -4.181 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.110 -1.740 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.835 -2.076 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.740 -1.846 3.415 1.00 0.00 H new ATOM 620 N MET A 40 -4.932 -3.928 4.243 1.00 0.00 N ATOM 621 CA MET A 40 -3.572 -4.168 4.806 1.00 0.00 C ATOM 622 C MET A 40 -3.139 -5.613 4.572 1.00 0.00 C ATOM 623 O MET A 40 -2.051 -5.864 4.116 1.00 0.00 O ATOM 624 CB MET A 40 -3.684 -3.894 6.305 1.00 0.00 C ATOM 625 CG MET A 40 -2.387 -4.317 6.999 1.00 0.00 C ATOM 626 SD MET A 40 -2.759 -5.562 8.260 1.00 0.00 S ATOM 627 CE MET A 40 -2.953 -4.422 9.651 1.00 0.00 C ATOM 0 H MET A 40 -5.655 -3.706 4.928 1.00 0.00 H new ATOM 0 HA MET A 40 -2.830 -3.527 4.330 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.873 -2.835 6.479 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.528 -4.442 6.724 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.686 -4.721 6.269 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.907 -3.452 7.457 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.871 -4.974 10.588 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.174 -3.661 9.609 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.931 -3.944 9.596 1.00 0.00 H new ATOM 637 N LYS A 41 -3.971 -6.568 4.885 1.00 0.00 N ATOM 638 CA LYS A 41 -3.567 -7.990 4.674 1.00 0.00 C ATOM 639 C LYS A 41 -3.345 -8.264 3.184 1.00 0.00 C ATOM 640 O LYS A 41 -2.343 -8.841 2.783 1.00 0.00 O ATOM 641 CB LYS A 41 -4.741 -8.820 5.197 1.00 0.00 C ATOM 642 CG LYS A 41 -4.950 -8.537 6.686 1.00 0.00 C ATOM 643 CD LYS A 41 -6.194 -9.278 7.178 1.00 0.00 C ATOM 644 CE LYS A 41 -6.531 -8.831 8.602 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.019 -8.859 8.669 1.00 0.00 N ATOM 0 H LYS A 41 -4.904 -6.430 5.274 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.635 -8.231 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.646 -8.578 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.546 -9.881 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.076 -8.856 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.063 -7.465 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.035 -9.077 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.021 -10.354 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.089 -9.499 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.145 -7.832 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.329 -8.564 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.411 -8.208 7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.357 -9.824 8.478 1.00 0.00 H new ATOM 659 N MET A 42 -4.268 -7.849 2.357 1.00 0.00 N ATOM 660 CA MET A 42 -4.118 -8.083 0.894 1.00 0.00 C ATOM 661 C MET A 42 -2.817 -7.466 0.389 1.00 0.00 C ATOM 662 O MET A 42 -2.213 -7.946 -0.549 1.00 0.00 O ATOM 663 CB MET A 42 -5.316 -7.381 0.251 1.00 0.00 C ATOM 664 CG MET A 42 -6.619 -8.001 0.756 1.00 0.00 C ATOM 665 SD MET A 42 -7.294 -9.100 -0.514 1.00 0.00 S ATOM 666 CE MET A 42 -7.720 -7.815 -1.716 1.00 0.00 C ATOM 0 H MET A 42 -5.119 -7.358 2.633 1.00 0.00 H new ATOM 0 HA MET A 42 -4.086 -9.146 0.653 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.294 -6.317 0.487 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.259 -7.468 -0.834 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.437 -8.558 1.675 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.339 -7.218 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.473 -8.197 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.116 -6.944 -1.193 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.828 -7.529 -2.274 1.00 0.00 H new ATOM 676 N ILE A 43 -2.389 -6.391 0.991 1.00 0.00 N ATOM 677 CA ILE A 43 -1.137 -5.734 0.527 1.00 0.00 C ATOM 678 C ILE A 43 0.067 -6.207 1.352 1.00 0.00 C ATOM 679 O ILE A 43 1.192 -6.165 0.899 1.00 0.00 O ATOM 680 CB ILE A 43 -1.376 -4.234 0.719 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.306 -3.878 2.201 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.749 -3.835 0.176 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.218 -2.357 2.338 1.00 0.00 C ATOM 0 H ILE A 43 -2.851 -5.941 1.781 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.911 -5.979 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.602 -3.694 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.187 -4.254 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.438 -4.349 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.901 -2.765 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.801 -4.068 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.525 -4.387 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.167 -2.089 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.324 -1.997 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.100 -1.900 1.889 1.00 0.00 H new ATOM 695 N ILE A 44 -0.149 -6.668 2.555 1.00 0.00 N ATOM 696 CA ILE A 44 1.001 -7.139 3.376 1.00 0.00 C ATOM 697 C ILE A 44 1.600 -8.379 2.715 1.00 0.00 C ATOM 698 O ILE A 44 2.803 -8.539 2.639 1.00 0.00 O ATOM 699 CB ILE A 44 0.423 -7.463 4.765 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.485 -7.191 5.832 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.008 -8.934 4.844 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.815 -6.614 7.081 1.00 0.00 C ATOM 0 H ILE A 44 -1.064 -6.738 3.001 1.00 0.00 H new ATOM 0 HA ILE A 44 1.795 -6.397 3.462 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.452 -6.835 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.011 -8.113 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.230 -6.493 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.398 -9.145 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.751 -9.139 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.877 -9.567 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.570 -6.420 7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.309 -5.683 6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.087 -7.328 7.466 1.00 0.00 H new ATOM 714 N ASN A 45 0.764 -9.250 2.213 1.00 0.00 N ATOM 715 CA ASN A 45 1.295 -10.465 1.534 1.00 0.00 C ATOM 716 C ASN A 45 2.253 -10.040 0.416 1.00 0.00 C ATOM 717 O ASN A 45 3.056 -10.816 -0.062 1.00 0.00 O ATOM 718 CB ASN A 45 0.066 -11.170 0.959 1.00 0.00 C ATOM 719 CG ASN A 45 -0.718 -11.833 2.093 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.139 -12.365 3.018 1.00 0.00 O ATOM 721 ND2 ASN A 45 -2.024 -11.820 2.061 1.00 0.00 N ATOM 0 H ASN A 45 -0.253 -9.173 2.244 1.00 0.00 H new ATOM 0 HA ASN A 45 1.849 -11.119 2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.567 -10.453 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.372 -11.918 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.557 -12.257 2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.511 -11.373 1.284 1.00 0.00 H new ATOM 728 N ASP A 46 2.169 -8.802 0.002 1.00 0.00 N ATOM 729 CA ASP A 46 3.062 -8.294 -1.082 1.00 0.00 C ATOM 730 C ASP A 46 4.236 -7.517 -0.477 1.00 0.00 C ATOM 731 O ASP A 46 4.093 -6.863 0.540 1.00 0.00 O ATOM 732 CB ASP A 46 2.176 -7.364 -1.903 1.00 0.00 C ATOM 733 CG ASP A 46 2.768 -7.186 -3.299 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.619 -6.327 -3.451 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.363 -7.914 -4.192 1.00 0.00 O ATOM 0 H ASP A 46 1.513 -8.115 0.373 1.00 0.00 H new ATOM 0 HA ASP A 46 3.489 -9.097 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.169 -7.775 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.091 -6.397 -1.408 1.00 0.00 H new ATOM 740 N PRO A 47 5.367 -7.619 -1.122 1.00 0.00 N ATOM 741 CA PRO A 47 6.586 -6.929 -0.634 1.00 0.00 C ATOM 742 C PRO A 47 6.408 -5.407 -0.661 1.00 0.00 C ATOM 743 O PRO A 47 7.093 -4.688 0.037 1.00 0.00 O ATOM 744 CB PRO A 47 7.676 -7.398 -1.599 1.00 0.00 C ATOM 745 CG PRO A 47 6.939 -7.805 -2.831 1.00 0.00 C ATOM 746 CD PRO A 47 5.619 -8.360 -2.362 1.00 0.00 C ATOM 0 HA PRO A 47 6.825 -7.164 0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.389 -6.601 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.242 -8.231 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.790 -6.954 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.500 -8.553 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.830 -8.197 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.673 -9.434 -2.185 1.00 0.00 H new ATOM 754 N ARG A 48 5.484 -4.903 -1.439 1.00 0.00 N ATOM 755 CA ARG A 48 5.280 -3.424 -1.461 1.00 0.00 C ATOM 756 C ARG A 48 4.905 -2.926 -0.067 1.00 0.00 C ATOM 757 O ARG A 48 5.124 -1.779 0.265 1.00 0.00 O ATOM 758 CB ARG A 48 4.149 -3.153 -2.446 1.00 0.00 C ATOM 759 CG ARG A 48 4.727 -2.897 -3.836 1.00 0.00 C ATOM 760 CD ARG A 48 5.006 -4.228 -4.516 1.00 0.00 C ATOM 761 NE ARG A 48 3.778 -4.517 -5.308 1.00 0.00 N ATOM 762 CZ ARG A 48 3.827 -5.352 -6.310 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.616 -6.390 -6.257 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.086 -5.149 -7.366 1.00 0.00 N ATOM 0 H ARG A 48 4.871 -5.442 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 48 6.190 -2.904 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.468 -4.004 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.568 -2.291 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.027 -2.311 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.645 -2.315 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.885 -4.168 -5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.199 -5.013 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 48 2.898 -4.062 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.195 -6.549 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.654 -7.042 -7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.469 -4.338 -7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.124 -5.802 -8.149 1.00 0.00 H new ATOM 778 N TYR A 49 4.342 -3.770 0.758 1.00 0.00 N ATOM 779 CA TYR A 49 3.976 -3.308 2.125 1.00 0.00 C ATOM 780 C TYR A 49 5.241 -2.832 2.842 1.00 0.00 C ATOM 781 O TYR A 49 5.228 -1.877 3.599 1.00 0.00 O ATOM 782 CB TYR A 49 3.367 -4.529 2.824 1.00 0.00 C ATOM 783 CG TYR A 49 2.563 -4.068 4.014 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.353 -3.398 3.818 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.022 -4.315 5.313 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.600 -2.973 4.914 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.271 -3.886 6.412 1.00 0.00 C ATOM 788 CZ TYR A 49 1.059 -3.216 6.213 1.00 0.00 C ATOM 789 OH TYR A 49 0.316 -2.797 7.297 1.00 0.00 O ATOM 0 H TYR A 49 4.123 -4.744 0.547 1.00 0.00 H new ATOM 0 HA TYR A 49 3.271 -2.477 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.731 -5.080 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.155 -5.211 3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.999 -3.208 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.955 -4.836 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.336 -2.457 4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.627 -4.072 7.415 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.469 -2.301 6.984 1.00 0.00 H new ATOM 799 N SER A 50 6.347 -3.470 2.578 1.00 0.00 N ATOM 800 CA SER A 50 7.618 -3.041 3.219 1.00 0.00 C ATOM 801 C SER A 50 8.052 -1.706 2.617 1.00 0.00 C ATOM 802 O SER A 50 8.983 -1.075 3.078 1.00 0.00 O ATOM 803 CB SER A 50 8.626 -4.139 2.883 1.00 0.00 C ATOM 804 OG SER A 50 9.903 -3.778 3.393 1.00 0.00 O ATOM 0 H SER A 50 6.424 -4.268 1.947 1.00 0.00 H new ATOM 0 HA SER A 50 7.526 -2.904 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.305 -5.087 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.680 -4.281 1.804 1.00 0.00 H new ATOM 0 HG SER A 50 9.962 -2.803 3.467 1.00 0.00 H new ATOM 810 N ALA A 51 7.362 -1.259 1.601 1.00 0.00 N ATOM 811 CA ALA A 51 7.705 0.046 0.982 1.00 0.00 C ATOM 812 C ALA A 51 7.496 1.148 2.017 1.00 0.00 C ATOM 813 O ALA A 51 8.050 2.225 1.919 1.00 0.00 O ATOM 814 CB ALA A 51 6.723 0.205 -0.181 1.00 0.00 C ATOM 0 H ALA A 51 6.574 -1.746 1.175 1.00 0.00 H new ATOM 0 HA ALA A 51 8.738 0.100 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.913 1.149 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.854 -0.619 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.702 0.198 0.201 1.00 0.00 H new ATOM 820 N LEU A 52 6.699 0.878 3.018 1.00 0.00 N ATOM 821 CA LEU A 52 6.456 1.901 4.073 1.00 0.00 C ATOM 822 C LEU A 52 6.800 1.321 5.445 1.00 0.00 C ATOM 823 O LEU A 52 6.252 0.321 5.863 1.00 0.00 O ATOM 824 CB LEU A 52 4.965 2.228 3.981 1.00 0.00 C ATOM 825 CG LEU A 52 4.690 3.050 2.721 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.277 3.626 2.793 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.698 4.199 2.622 1.00 0.00 C ATOM 0 H LEU A 52 6.207 -0.006 3.149 1.00 0.00 H new ATOM 0 HA LEU A 52 7.069 2.792 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.382 1.307 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.650 2.784 4.864 1.00 0.00 H new ATOM 0 HG LEU A 52 4.785 2.409 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.077 4.213 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.555 2.812 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.189 4.265 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.498 4.782 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.606 4.841 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.709 3.793 2.574 1.00 0.00 H new ATOM 839 N ALA A 53 7.710 1.936 6.142 1.00 0.00 N ATOM 840 CA ALA A 53 8.100 1.416 7.484 1.00 0.00 C ATOM 841 C ALA A 53 7.048 1.787 8.530 1.00 0.00 C ATOM 842 O ALA A 53 6.774 1.035 9.444 1.00 0.00 O ATOM 843 CB ALA A 53 9.432 2.097 7.800 1.00 0.00 C ATOM 0 H ALA A 53 8.203 2.777 5.842 1.00 0.00 H new ATOM 0 HA ALA A 53 8.182 0.329 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.788 1.766 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.165 1.833 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.294 3.178 7.812 1.00 0.00 H new ATOM 849 N LYS A 54 6.462 2.945 8.411 1.00 0.00 N ATOM 850 CA LYS A 54 5.436 3.366 9.406 1.00 0.00 C ATOM 851 C LYS A 54 4.034 2.962 8.939 1.00 0.00 C ATOM 852 O LYS A 54 3.676 3.123 7.789 1.00 0.00 O ATOM 853 CB LYS A 54 5.559 4.888 9.477 1.00 0.00 C ATOM 854 CG LYS A 54 6.681 5.263 10.447 1.00 0.00 C ATOM 855 CD LYS A 54 6.164 6.291 11.455 1.00 0.00 C ATOM 856 CE LYS A 54 7.265 7.310 11.754 1.00 0.00 C ATOM 857 NZ LYS A 54 7.239 8.250 10.601 1.00 0.00 N ATOM 0 H LYS A 54 6.649 3.618 7.668 1.00 0.00 H new ATOM 0 HA LYS A 54 5.589 2.895 10.377 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.769 5.293 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.617 5.325 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.037 4.374 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.529 5.672 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.284 6.796 11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.856 5.792 12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.077 7.831 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.237 6.826 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.213 8.460 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.720 7.816 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.766 9.132 10.883 1.00 0.00 H new ATOM 871 N LEU A 55 3.229 2.446 9.821 1.00 0.00 N ATOM 872 CA LEU A 55 1.856 2.055 9.411 1.00 0.00 C ATOM 873 C LEU A 55 1.023 3.311 9.147 1.00 0.00 C ATOM 874 O LEU A 55 0.132 3.312 8.320 1.00 0.00 O ATOM 875 CB LEU A 55 1.286 1.251 10.580 1.00 0.00 C ATOM 876 CG LEU A 55 0.186 0.317 10.068 1.00 0.00 C ATOM 877 CD1 LEU A 55 0.698 -0.481 8.864 1.00 0.00 C ATOM 878 CD2 LEU A 55 -0.218 -0.651 11.183 1.00 0.00 C ATOM 0 H LEU A 55 3.460 2.279 10.800 1.00 0.00 H new ATOM 0 HA LEU A 55 1.848 1.465 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.077 0.672 11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.883 1.924 11.337 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.676 0.911 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.090 -1.143 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.985 0.206 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.563 -1.074 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.001 -1.317 10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.648 -1.240 11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.589 -0.086 12.038 1.00 0.00 H new ATOM 890 N SER A 56 1.308 4.385 9.837 1.00 0.00 N ATOM 891 CA SER A 56 0.530 5.635 9.606 1.00 0.00 C ATOM 892 C SER A 56 0.651 6.038 8.137 1.00 0.00 C ATOM 893 O SER A 56 -0.325 6.361 7.487 1.00 0.00 O ATOM 894 CB SER A 56 1.180 6.684 10.507 1.00 0.00 C ATOM 895 OG SER A 56 0.507 6.710 11.759 1.00 0.00 O ATOM 0 H SER A 56 2.040 4.449 10.544 1.00 0.00 H new ATOM 0 HA SER A 56 -0.531 5.520 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.235 6.451 10.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.132 7.665 10.035 1.00 0.00 H new ATOM 0 HG SER A 56 0.923 7.381 12.340 1.00 0.00 H new ATOM 901 N GLU A 57 1.839 5.986 7.598 1.00 0.00 N ATOM 902 CA GLU A 57 2.011 6.330 6.160 1.00 0.00 C ATOM 903 C GLU A 57 1.393 5.213 5.320 1.00 0.00 C ATOM 904 O GLU A 57 0.805 5.450 4.284 1.00 0.00 O ATOM 905 CB GLU A 57 3.522 6.433 5.926 1.00 0.00 C ATOM 906 CG GLU A 57 4.210 5.153 6.394 1.00 0.00 C ATOM 907 CD GLU A 57 5.646 5.120 5.870 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.193 6.184 5.631 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.175 4.031 5.716 1.00 0.00 O ATOM 0 H GLU A 57 2.693 5.722 8.089 1.00 0.00 H new ATOM 0 HA GLU A 57 1.524 7.265 5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.724 6.599 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.924 7.290 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.209 5.105 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.662 4.282 6.036 1.00 0.00 H new ATOM 916 N LYS A 58 1.500 3.993 5.780 1.00 0.00 N ATOM 917 CA LYS A 58 0.893 2.860 5.027 1.00 0.00 C ATOM 918 C LYS A 58 -0.606 3.111 4.868 1.00 0.00 C ATOM 919 O LYS A 58 -1.178 2.914 3.813 1.00 0.00 O ATOM 920 CB LYS A 58 1.118 1.633 5.910 1.00 0.00 C ATOM 921 CG LYS A 58 2.517 1.069 5.680 1.00 0.00 C ATOM 922 CD LYS A 58 2.618 -0.306 6.341 1.00 0.00 C ATOM 923 CE LYS A 58 3.613 -1.169 5.572 1.00 0.00 C ATOM 924 NZ LYS A 58 4.620 -1.593 6.586 1.00 0.00 N ATOM 0 H LYS A 58 1.980 3.735 6.642 1.00 0.00 H new ATOM 0 HA LYS A 58 1.325 2.736 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.994 1.903 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.370 0.873 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.719 0.988 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.267 1.742 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.938 -0.200 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.640 -0.786 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.121 -2.030 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.080 -0.607 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.103 -2.453 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.318 -0.834 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.142 -1.788 7.489 1.00 0.00 H new ATOM 938 N LYS A 59 -1.242 3.554 5.918 1.00 0.00 N ATOM 939 CA LYS A 59 -2.704 3.830 5.848 1.00 0.00 C ATOM 940 C LYS A 59 -2.955 5.072 4.992 1.00 0.00 C ATOM 941 O LYS A 59 -3.929 5.154 4.271 1.00 0.00 O ATOM 942 CB LYS A 59 -3.130 4.078 7.295 1.00 0.00 C ATOM 943 CG LYS A 59 -3.182 2.745 8.045 1.00 0.00 C ATOM 944 CD LYS A 59 -4.111 2.876 9.253 1.00 0.00 C ATOM 945 CE LYS A 59 -3.306 2.676 10.539 1.00 0.00 C ATOM 946 NZ LYS A 59 -2.863 4.043 10.932 1.00 0.00 N ATOM 0 H LYS A 59 -0.810 3.737 6.824 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.264 3.010 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.427 4.755 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.107 4.561 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.538 1.956 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.182 2.460 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.584 3.858 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.910 2.137 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.915 2.219 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.454 2.017 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.169 3.975 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.427 4.515 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.684 4.595 11.253 1.00 0.00 H new ATOM 960 N GLN A 60 -2.077 6.037 5.058 1.00 0.00 N ATOM 961 CA GLN A 60 -2.269 7.263 4.234 1.00 0.00 C ATOM 962 C GLN A 60 -2.272 6.879 2.756 1.00 0.00 C ATOM 963 O GLN A 60 -3.035 7.402 1.967 1.00 0.00 O ATOM 964 CB GLN A 60 -1.072 8.156 4.559 1.00 0.00 C ATOM 965 CG GLN A 60 -1.072 8.488 6.053 1.00 0.00 C ATOM 966 CD GLN A 60 -1.267 9.993 6.240 1.00 0.00 C ATOM 967 OE1 GLN A 60 -2.368 10.496 6.128 1.00 0.00 O ATOM 968 NE2 GLN A 60 -0.236 10.741 6.524 1.00 0.00 N ATOM 0 H GLN A 60 -1.241 6.029 5.643 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.211 7.770 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.145 7.652 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.119 9.073 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.869 7.942 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.132 8.173 6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.689 10.321 6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.355 11.746 6.652 1.00 0.00 H new ATOM 977 N ALA A 61 -1.433 5.951 2.379 1.00 0.00 N ATOM 978 CA ALA A 61 -1.395 5.515 0.957 1.00 0.00 C ATOM 979 C ALA A 61 -2.637 4.677 0.649 1.00 0.00 C ATOM 980 O ALA A 61 -3.234 4.798 -0.403 1.00 0.00 O ATOM 981 CB ALA A 61 -0.127 4.669 0.830 1.00 0.00 C ATOM 0 H ALA A 61 -0.773 5.477 2.996 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.386 6.353 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.030 4.310 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.742 5.275 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.188 3.818 1.508 1.00 0.00 H new ATOM 987 N PHE A 62 -3.041 3.836 1.565 1.00 0.00 N ATOM 988 CA PHE A 62 -4.254 3.007 1.321 1.00 0.00 C ATOM 989 C PHE A 62 -5.474 3.918 1.176 1.00 0.00 C ATOM 990 O PHE A 62 -6.285 3.755 0.286 1.00 0.00 O ATOM 991 CB PHE A 62 -4.392 2.116 2.555 1.00 0.00 C ATOM 992 CG PHE A 62 -5.773 1.505 2.578 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.412 1.174 1.377 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.416 1.273 3.798 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.688 0.609 1.393 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.696 0.708 3.817 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.332 0.374 2.614 1.00 0.00 C ATOM 0 H PHE A 62 -2.585 3.689 2.466 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.178 2.415 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.635 1.332 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.225 2.700 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.916 1.356 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.925 1.530 4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.178 0.353 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.194 0.529 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.319 -0.065 2.628 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.603 4.895 2.033 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.761 5.823 1.921 1.00 0.00 C ATOM 1009 C ASN A 63 -6.683 6.547 0.581 1.00 0.00 C ATOM 1010 O ASN A 63 -7.649 6.636 -0.154 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.606 6.806 3.082 1.00 0.00 C ATOM 1012 CG ASN A 63 -6.874 6.083 4.403 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -6.148 6.255 5.361 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.896 5.278 4.495 1.00 0.00 N ATOM 0 H ASN A 63 -4.960 5.089 2.801 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.723 5.312 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.601 7.228 3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.300 7.638 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.086 4.793 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.506 5.134 3.690 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.526 7.043 0.246 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.366 7.739 -1.058 1.00 0.00 C ATOM 1023 C ALA A 64 -5.677 6.757 -2.188 1.00 0.00 C ATOM 1024 O ALA A 64 -6.214 7.120 -3.215 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.898 8.169 -1.104 1.00 0.00 C ATOM 0 H ALA A 64 -4.684 6.996 0.820 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.034 8.593 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.701 8.691 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.687 8.834 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.259 7.289 -1.038 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.347 5.507 -1.993 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.626 4.486 -3.041 1.00 0.00 C ATOM 1033 C TYR A 65 -7.135 4.376 -3.272 1.00 0.00 C ATOM 1034 O TYR A 65 -7.597 4.309 -4.394 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.071 3.179 -2.472 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.665 2.008 -3.219 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.048 1.546 -4.387 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.832 1.388 -2.747 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.596 0.465 -5.084 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.378 0.306 -3.447 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.760 -0.156 -4.616 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.299 -1.223 -5.305 1.00 0.00 O ATOM 0 H TYR A 65 -4.895 5.150 -1.151 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.174 4.736 -4.001 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.985 3.165 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.307 3.104 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.150 2.024 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.308 1.745 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.120 0.108 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.276 -0.173 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.269 -1.247 -5.165 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.907 4.357 -2.221 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.384 4.252 -2.385 1.00 0.00 C ATOM 1054 C LYS A 66 -9.948 5.559 -2.949 1.00 0.00 C ATOM 1055 O LYS A 66 -10.936 5.566 -3.655 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.923 4.004 -0.977 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.206 2.808 -0.354 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.079 2.216 0.754 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.762 2.908 2.082 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.756 2.361 3.048 1.00 0.00 N ATOM 0 H LYS A 66 -7.579 4.410 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.666 3.458 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.776 4.890 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.996 3.817 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.003 2.054 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.243 3.118 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.133 2.344 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.900 1.144 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.742 2.697 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.851 3.991 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.647 2.838 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.717 2.523 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.598 1.340 3.167 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.330 6.665 -2.637 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.835 7.973 -3.149 1.00 0.00 C ATOM 1076 C VAL A 67 -9.509 8.132 -4.635 1.00 0.00 C ATOM 1077 O VAL A 67 -10.258 8.730 -5.383 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.100 9.029 -2.326 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.612 10.419 -2.707 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.355 8.783 -0.837 1.00 0.00 C ATOM 0 H VAL A 67 -8.498 6.721 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.918 8.058 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.031 8.967 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.088 11.173 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.432 10.595 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.681 10.481 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.831 9.536 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.424 8.845 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.992 7.792 -0.564 1.00 0.00 H new