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 38 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.024) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.338 K(o=-0.34,f=-3.2!) USER MOD Single : A 13 THR OG1 : rot -144:sc= -1.67 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -0.334 (180deg=-0.484) USER MOD Single : A 19 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ -136:sc= -0.231 (180deg=-1.33!) USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -0.0437 (180deg=-0.392) USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= -4.03! (180deg=-5.77!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.56! X(o=-1.6!,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0.23 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -150:sc= -0.329 (180deg=-1.32!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 49 TYR OH : rot -37:sc= -3.96! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.428 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0.844 (180deg=0.834) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.0305 K(o=-0.031,f=-1.8!) USER MOD Single : A 65 TYR OH : rot 33:sc= 0.113 USER MOD Single : A 66 LYS NZ :NH3+ -148:sc= -2.76! (180deg=-3.96!) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.375 0.080 -1.305 1.00 0.00 N ATOM 138 CA TRP A 11 13.006 1.501 -1.566 1.00 0.00 C ATOM 139 C TRP A 11 14.046 2.446 -0.960 1.00 0.00 C ATOM 140 O TRP A 11 14.579 2.201 0.103 1.00 0.00 O ATOM 141 CB TRP A 11 11.650 1.689 -0.886 1.00 0.00 C ATOM 142 CG TRP A 11 10.577 1.111 -1.748 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.937 1.778 -2.734 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.008 -0.230 -1.721 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.006 0.935 -3.311 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.012 -0.313 -2.722 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.254 -1.372 -0.933 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.285 -1.483 -2.934 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.525 -2.551 -1.148 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.542 -2.605 -2.144 1.00 0.00 C ATOM 0 HA TRP A 11 12.964 1.724 -2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.650 1.202 0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.461 2.749 -0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.123 2.802 -3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.390 1.203 -4.078 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.007 -1.339 -0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.528 -1.521 -3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.723 -3.423 -0.542 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.982 -3.515 -2.301 1.00 0.00 H new ATOM 161 N ASN A 12 14.334 3.528 -1.630 1.00 0.00 N ATOM 162 CA ASN A 12 15.335 4.494 -1.097 1.00 0.00 C ATOM 163 C ASN A 12 14.703 5.883 -0.959 1.00 0.00 C ATOM 164 O ASN A 12 15.047 6.650 -0.081 1.00 0.00 O ATOM 165 CB ASN A 12 16.456 4.513 -2.136 1.00 0.00 C ATOM 166 CG ASN A 12 17.810 4.470 -1.429 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.880 4.544 -0.218 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.900 4.351 -2.139 1.00 0.00 N ATOM 0 H ASN A 12 13.918 3.785 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 12 15.701 4.212 -0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.358 3.660 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.383 5.411 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.809 4.320 -1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.842 4.289 -3.155 1.00 0.00 H new ATOM 175 N THR A 13 13.778 6.210 -1.822 1.00 0.00 N ATOM 176 CA THR A 13 13.120 7.548 -1.743 1.00 0.00 C ATOM 177 C THR A 13 11.725 7.413 -1.123 1.00 0.00 C ATOM 178 O THR A 13 11.114 6.364 -1.169 1.00 0.00 O ATOM 179 CB THR A 13 13.015 8.025 -3.193 1.00 0.00 C ATOM 180 OG1 THR A 13 12.776 6.911 -4.042 1.00 0.00 O ATOM 181 CG2 THR A 13 14.318 8.712 -3.604 1.00 0.00 C ATOM 0 H THR A 13 13.449 5.609 -2.578 1.00 0.00 H new ATOM 0 HA THR A 13 13.680 8.248 -1.123 1.00 0.00 H new ATOM 0 HB THR A 13 12.191 8.733 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.245 7.041 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.241 9.051 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.499 9.568 -2.954 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.145 8.007 -3.514 1.00 0.00 H new ATOM 189 N LYS A 14 11.217 8.468 -0.545 1.00 0.00 N ATOM 190 CA LYS A 14 9.862 8.397 0.077 1.00 0.00 C ATOM 191 C LYS A 14 8.788 8.230 -1.003 1.00 0.00 C ATOM 192 O LYS A 14 7.845 7.481 -0.845 1.00 0.00 O ATOM 193 CB LYS A 14 9.685 9.732 0.804 1.00 0.00 C ATOM 194 CG LYS A 14 8.407 9.691 1.646 1.00 0.00 C ATOM 195 CD LYS A 14 8.704 9.036 2.998 1.00 0.00 C ATOM 196 CE LYS A 14 7.604 9.402 3.998 1.00 0.00 C ATOM 197 NZ LYS A 14 8.324 9.976 5.168 1.00 0.00 N ATOM 0 H LYS A 14 11.680 9.374 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 14 9.767 7.548 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.547 9.928 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.631 10.547 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.025 10.701 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.632 9.132 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.761 7.953 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.673 9.369 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.906 10.123 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.022 8.526 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.636 10.251 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.976 9.265 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.863 10.813 4.867 1.00 0.00 H new ATOM 211 N GLU A 15 8.921 8.927 -2.099 1.00 0.00 N ATOM 212 CA GLU A 15 7.905 8.813 -3.185 1.00 0.00 C ATOM 213 C GLU A 15 7.848 7.380 -3.720 1.00 0.00 C ATOM 214 O GLU A 15 6.787 6.822 -3.918 1.00 0.00 O ATOM 215 CB GLU A 15 8.383 9.779 -4.274 1.00 0.00 C ATOM 216 CG GLU A 15 7.728 9.420 -5.613 1.00 0.00 C ATOM 217 CD GLU A 15 7.218 10.692 -6.292 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.001 11.329 -6.976 1.00 0.00 O ATOM 219 OE2 GLU A 15 6.052 11.007 -6.117 1.00 0.00 O ATOM 0 H GLU A 15 9.689 9.570 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 15 6.901 9.054 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.132 10.804 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.468 9.730 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.448 8.915 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.903 8.726 -5.451 1.00 0.00 H new ATOM 226 N GLU A 16 8.980 6.786 -3.962 1.00 0.00 N ATOM 227 CA GLU A 16 8.989 5.393 -4.494 1.00 0.00 C ATOM 228 C GLU A 16 8.341 4.433 -3.494 1.00 0.00 C ATOM 229 O GLU A 16 7.612 3.535 -3.865 1.00 0.00 O ATOM 230 CB GLU A 16 10.467 5.053 -4.693 1.00 0.00 C ATOM 231 CG GLU A 16 11.007 5.825 -5.899 1.00 0.00 C ATOM 232 CD GLU A 16 12.261 5.129 -6.432 1.00 0.00 C ATOM 233 OE1 GLU A 16 12.163 3.965 -6.785 1.00 0.00 O ATOM 234 OE2 GLU A 16 13.297 5.771 -6.478 1.00 0.00 O ATOM 0 H GLU A 16 9.900 7.202 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 16 8.423 5.304 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.035 5.310 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.587 3.981 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.248 5.878 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.241 6.850 -5.612 1.00 0.00 H new ATOM 241 N ALA A 17 8.597 4.617 -2.230 1.00 0.00 N ATOM 242 CA ALA A 17 7.989 3.715 -1.210 1.00 0.00 C ATOM 243 C ALA A 17 6.471 3.910 -1.185 1.00 0.00 C ATOM 244 O ALA A 17 5.708 2.960 -1.204 1.00 0.00 O ATOM 245 CB ALA A 17 8.609 4.145 0.120 1.00 0.00 C ATOM 0 H ALA A 17 9.200 5.351 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 17 8.175 2.662 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.211 3.526 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.691 4.026 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.367 5.190 0.313 1.00 0.00 H new ATOM 251 N LYS A 18 6.026 5.136 -1.156 1.00 0.00 N ATOM 252 CA LYS A 18 4.560 5.393 -1.144 1.00 0.00 C ATOM 253 C LYS A 18 3.953 4.923 -2.464 1.00 0.00 C ATOM 254 O LYS A 18 2.843 4.429 -2.512 1.00 0.00 O ATOM 255 CB LYS A 18 4.423 6.909 -1.001 1.00 0.00 C ATOM 256 CG LYS A 18 3.138 7.237 -0.239 1.00 0.00 C ATOM 257 CD LYS A 18 3.233 8.651 0.338 1.00 0.00 C ATOM 258 CE LYS A 18 4.287 8.683 1.449 1.00 0.00 C ATOM 259 NZ LYS A 18 5.118 9.883 1.155 1.00 0.00 N ATOM 0 H LYS A 18 6.614 5.969 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 18 4.046 4.866 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.285 7.314 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.404 7.377 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.278 7.162 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.984 6.515 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.497 9.358 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.265 8.960 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.822 8.756 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.890 7.775 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.715 10.102 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.721 9.694 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.498 10.693 0.952 1.00 0.00 H new ATOM 273 N GLN A 19 4.680 5.070 -3.537 1.00 0.00 N ATOM 274 CA GLN A 19 4.156 4.630 -4.860 1.00 0.00 C ATOM 275 C GLN A 19 4.013 3.106 -4.886 1.00 0.00 C ATOM 276 O GLN A 19 3.034 2.577 -5.375 1.00 0.00 O ATOM 277 CB GLN A 19 5.196 5.093 -5.880 1.00 0.00 C ATOM 278 CG GLN A 19 4.637 4.914 -7.294 1.00 0.00 C ATOM 279 CD GLN A 19 4.983 3.514 -7.807 1.00 0.00 C ATOM 280 OE1 GLN A 19 4.134 2.820 -8.333 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.202 3.066 -7.676 1.00 0.00 N ATOM 0 H GLN A 19 5.615 5.476 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 19 3.172 5.046 -5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.450 6.139 -5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.115 4.518 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.556 5.054 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.054 5.670 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.914 3.648 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.442 2.134 -8.015 1.00 0.00 H new ATOM 290 N ALA A 20 4.971 2.391 -4.359 1.00 0.00 N ATOM 291 CA ALA A 20 4.860 0.905 -4.357 1.00 0.00 C ATOM 292 C ALA A 20 3.680 0.485 -3.482 1.00 0.00 C ATOM 293 O ALA A 20 2.948 -0.428 -3.806 1.00 0.00 O ATOM 294 CB ALA A 20 6.176 0.396 -3.771 1.00 0.00 C ATOM 0 H ALA A 20 5.818 2.768 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 20 4.689 0.499 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.163 -0.693 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.005 0.731 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.300 0.786 -2.761 1.00 0.00 H new ATOM 300 N PHE A 21 3.485 1.157 -2.382 1.00 0.00 N ATOM 301 CA PHE A 21 2.341 0.808 -1.491 1.00 0.00 C ATOM 302 C PHE A 21 1.023 1.045 -2.235 1.00 0.00 C ATOM 303 O PHE A 21 0.124 0.225 -2.209 1.00 0.00 O ATOM 304 CB PHE A 21 2.468 1.753 -0.295 1.00 0.00 C ATOM 305 CG PHE A 21 1.554 1.289 0.814 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.211 1.682 0.822 1.00 0.00 C ATOM 307 CD2 PHE A 21 2.050 0.468 1.837 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.638 1.254 1.849 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.199 0.040 2.864 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.145 0.434 2.870 1.00 0.00 C ATOM 0 H PHE A 21 4.066 1.931 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 21 2.352 -0.236 -1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.500 1.776 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.210 2.769 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.171 2.316 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.087 0.166 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.675 1.557 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.579 -0.594 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.801 0.105 3.663 1.00 0.00 H new ATOM 320 N LYS A 22 0.904 2.152 -2.915 1.00 0.00 N ATOM 321 CA LYS A 22 -0.350 2.419 -3.672 1.00 0.00 C ATOM 322 C LYS A 22 -0.452 1.428 -4.830 1.00 0.00 C ATOM 323 O LYS A 22 -1.474 0.805 -5.039 1.00 0.00 O ATOM 324 CB LYS A 22 -0.218 3.852 -4.185 1.00 0.00 C ATOM 325 CG LYS A 22 -0.870 4.808 -3.185 1.00 0.00 C ATOM 326 CD LYS A 22 -1.260 6.104 -3.898 1.00 0.00 C ATOM 327 CE LYS A 22 0.006 6.880 -4.270 1.00 0.00 C ATOM 328 NZ LYS A 22 0.625 7.273 -2.970 1.00 0.00 N ATOM 0 H LYS A 22 1.617 2.879 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.247 2.305 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.833 4.108 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.695 3.947 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.752 4.344 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.181 5.023 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.839 5.879 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.895 6.710 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.686 6.264 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.233 7.756 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.936 8.264 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.074 7.167 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.444 6.662 -2.777 1.00 0.00 H new ATOM 342 N GLU A 23 0.611 1.254 -5.570 1.00 0.00 N ATOM 343 CA GLU A 23 0.572 0.278 -6.692 1.00 0.00 C ATOM 344 C GLU A 23 0.249 -1.104 -6.123 1.00 0.00 C ATOM 345 O GLU A 23 -0.409 -1.911 -6.746 1.00 0.00 O ATOM 346 CB GLU A 23 1.976 0.301 -7.299 1.00 0.00 C ATOM 347 CG GLU A 23 2.045 -0.695 -8.460 1.00 0.00 C ATOM 348 CD GLU A 23 3.336 -0.474 -9.250 1.00 0.00 C ATOM 349 OE1 GLU A 23 4.394 -0.507 -8.641 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.246 -0.276 -10.450 1.00 0.00 O ATOM 0 H GLU A 23 1.498 1.743 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.182 0.517 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.215 1.304 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.716 0.045 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.010 -1.716 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.181 -0.569 -9.113 1.00 0.00 H new ATOM 357 N LEU A 24 0.697 -1.364 -4.924 1.00 0.00 N ATOM 358 CA LEU A 24 0.411 -2.675 -4.281 1.00 0.00 C ATOM 359 C LEU A 24 -1.100 -2.830 -4.108 1.00 0.00 C ATOM 360 O LEU A 24 -1.679 -3.823 -4.493 1.00 0.00 O ATOM 361 CB LEU A 24 1.125 -2.597 -2.932 1.00 0.00 C ATOM 362 CG LEU A 24 0.755 -3.789 -2.055 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.061 -5.088 -2.799 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.578 -3.728 -0.762 1.00 0.00 C ATOM 0 H LEU A 24 1.252 -0.720 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 24 0.750 -3.532 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.204 -2.574 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.856 -1.670 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.308 -3.758 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.796 -5.938 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.482 -5.124 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.124 -5.130 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.321 -4.576 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.640 -3.765 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.358 -2.800 -0.234 1.00 0.00 H new ATOM 376 N LEU A 25 -1.752 -1.841 -3.558 1.00 0.00 N ATOM 377 CA LEU A 25 -3.231 -1.937 -3.398 1.00 0.00 C ATOM 378 C LEU A 25 -3.875 -2.137 -4.773 1.00 0.00 C ATOM 379 O LEU A 25 -4.795 -2.917 -4.931 1.00 0.00 O ATOM 380 CB LEU A 25 -3.659 -0.597 -2.799 1.00 0.00 C ATOM 381 CG LEU A 25 -3.656 -0.683 -1.276 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.782 0.430 -0.699 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.085 -0.510 -0.769 1.00 0.00 C ATOM 0 H LEU A 25 -1.329 -0.978 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.532 -2.772 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.982 0.191 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.654 -0.331 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.261 -1.650 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.782 0.366 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.763 0.321 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.177 1.399 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.095 -0.570 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.467 0.461 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.715 -1.298 -1.181 1.00 0.00 H new ATOM 395 N LYS A 26 -3.387 -1.447 -5.771 1.00 0.00 N ATOM 396 CA LYS A 26 -3.961 -1.610 -7.137 1.00 0.00 C ATOM 397 C LYS A 26 -3.761 -3.053 -7.603 1.00 0.00 C ATOM 398 O LYS A 26 -4.662 -3.679 -8.122 1.00 0.00 O ATOM 399 CB LYS A 26 -3.176 -0.641 -8.023 1.00 0.00 C ATOM 400 CG LYS A 26 -4.025 -0.254 -9.237 1.00 0.00 C ATOM 401 CD LYS A 26 -3.415 -0.858 -10.503 1.00 0.00 C ATOM 402 CE LYS A 26 -2.229 -0.004 -10.955 1.00 0.00 C ATOM 403 NZ LYS A 26 -2.838 1.178 -11.623 1.00 0.00 N ATOM 0 H LYS A 26 -2.618 -0.780 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.030 -1.401 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.907 0.250 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.245 -1.104 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.047 -0.611 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.075 0.831 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.089 -1.880 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.164 -0.906 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.613 0.296 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.584 -0.555 -11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.574 1.183 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.873 1.130 -11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.493 2.049 -11.170 1.00 0.00 H new ATOM 417 N GLU A 27 -2.589 -3.593 -7.400 1.00 0.00 N ATOM 418 CA GLU A 27 -2.344 -5.003 -7.810 1.00 0.00 C ATOM 419 C GLU A 27 -3.253 -5.921 -6.992 1.00 0.00 C ATOM 420 O GLU A 27 -3.710 -6.946 -7.457 1.00 0.00 O ATOM 421 CB GLU A 27 -0.874 -5.267 -7.485 1.00 0.00 C ATOM 422 CG GLU A 27 0.000 -4.231 -8.195 1.00 0.00 C ATOM 423 CD GLU A 27 0.874 -4.928 -9.239 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.552 -5.876 -8.877 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.850 -4.503 -10.381 1.00 0.00 O ATOM 0 H GLU A 27 -1.795 -3.120 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.553 -5.182 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.714 -5.217 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.595 -6.272 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.626 -3.478 -8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.626 -3.710 -7.470 1.00 0.00 H new ATOM 432 N LYS A 28 -3.526 -5.540 -5.774 1.00 0.00 N ATOM 433 CA LYS A 28 -4.416 -6.360 -4.908 1.00 0.00 C ATOM 434 C LYS A 28 -5.881 -6.049 -5.230 1.00 0.00 C ATOM 435 O LYS A 28 -6.789 -6.627 -4.666 1.00 0.00 O ATOM 436 CB LYS A 28 -4.065 -5.936 -3.482 1.00 0.00 C ATOM 437 CG LYS A 28 -2.958 -6.846 -2.944 1.00 0.00 C ATOM 438 CD LYS A 28 -1.604 -6.357 -3.462 1.00 0.00 C ATOM 439 CE LYS A 28 -0.640 -7.540 -3.612 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.835 -8.365 -2.388 1.00 0.00 N ATOM 0 H LYS A 28 -3.167 -4.690 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.282 -7.432 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.736 -4.897 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.946 -5.999 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.966 -6.842 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.131 -7.875 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.732 -5.858 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.186 -5.622 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.859 -8.114 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.392 -7.198 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.066 -8.811 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.164 -7.759 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.544 -9.102 -2.576 1.00 0.00 H new ATOM 454 N ARG A 29 -6.112 -5.142 -6.141 1.00 0.00 N ATOM 455 CA ARG A 29 -7.509 -4.787 -6.517 1.00 0.00 C ATOM 456 C ARG A 29 -8.327 -4.421 -5.277 1.00 0.00 C ATOM 457 O ARG A 29 -9.471 -4.806 -5.141 1.00 0.00 O ATOM 458 CB ARG A 29 -8.073 -6.041 -7.184 1.00 0.00 C ATOM 459 CG ARG A 29 -8.087 -5.844 -8.701 1.00 0.00 C ATOM 460 CD ARG A 29 -9.164 -4.824 -9.076 1.00 0.00 C ATOM 461 NE ARG A 29 -8.449 -3.519 -9.156 1.00 0.00 N ATOM 462 CZ ARG A 29 -7.583 -3.307 -10.110 1.00 0.00 C ATOM 463 NH1 ARG A 29 -6.313 -3.509 -9.893 1.00 0.00 N ATOM 464 NH2 ARG A 29 -7.987 -2.889 -11.279 1.00 0.00 N ATOM 0 H ARG A 29 -5.387 -4.629 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.545 -3.921 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.467 -6.909 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.082 -6.237 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.111 -5.499 -9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.282 -6.794 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.632 -5.076 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.957 -4.794 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.636 -2.792 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.997 -3.832 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.636 -3.344 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.980 -2.728 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.310 -2.724 -12.024 1.00 0.00 H new ATOM 478 N VAL A 30 -7.753 -3.671 -4.378 1.00 0.00 N ATOM 479 CA VAL A 30 -8.503 -3.269 -3.155 1.00 0.00 C ATOM 480 C VAL A 30 -9.621 -2.293 -3.540 1.00 0.00 C ATOM 481 O VAL A 30 -9.390 -1.344 -4.262 1.00 0.00 O ATOM 482 CB VAL A 30 -7.462 -2.587 -2.266 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.113 -2.141 -0.957 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.332 -3.573 -1.961 1.00 0.00 C ATOM 0 H VAL A 30 -6.797 -3.319 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.974 -4.110 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.060 -1.716 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.368 -1.656 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.919 -1.439 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.517 -3.010 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.588 -3.090 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.738 -4.443 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.864 -3.890 -2.893 1.00 0.00 H new ATOM 494 N PRO A 31 -10.802 -2.564 -3.058 1.00 0.00 N ATOM 495 CA PRO A 31 -11.966 -1.701 -3.373 1.00 0.00 C ATOM 496 C PRO A 31 -11.853 -0.359 -2.648 1.00 0.00 C ATOM 497 O PRO A 31 -11.086 -0.203 -1.720 1.00 0.00 O ATOM 498 CB PRO A 31 -13.157 -2.503 -2.857 1.00 0.00 C ATOM 499 CG PRO A 31 -12.593 -3.387 -1.794 1.00 0.00 C ATOM 500 CD PRO A 31 -11.166 -3.682 -2.180 1.00 0.00 C ATOM 0 HA PRO A 31 -12.047 -1.463 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.931 -1.848 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.615 -3.087 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.636 -2.897 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.169 -4.309 -1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.517 -3.731 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.081 -4.639 -2.695 1.00 0.00 H new ATOM 508 N SER A 32 -12.613 0.612 -3.070 1.00 0.00 N ATOM 509 CA SER A 32 -12.555 1.948 -2.414 1.00 0.00 C ATOM 510 C SER A 32 -13.205 1.890 -1.028 1.00 0.00 C ATOM 511 O SER A 32 -13.144 2.834 -0.265 1.00 0.00 O ATOM 512 CB SER A 32 -13.341 2.876 -3.340 1.00 0.00 C ATOM 513 OG SER A 32 -14.582 3.213 -2.731 1.00 0.00 O ATOM 0 H SER A 32 -13.274 0.538 -3.843 1.00 0.00 H new ATOM 0 HA SER A 32 -11.531 2.291 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.765 3.779 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.515 2.388 -4.299 1.00 0.00 H new ATOM 0 HG SER A 32 -15.086 3.809 -3.323 1.00 0.00 H new ATOM 519 N ASN A 33 -13.835 0.796 -0.698 1.00 0.00 N ATOM 520 CA ASN A 33 -14.495 0.694 0.636 1.00 0.00 C ATOM 521 C ASN A 33 -13.787 -0.342 1.516 1.00 0.00 C ATOM 522 O ASN A 33 -14.254 -0.680 2.585 1.00 0.00 O ATOM 523 CB ASN A 33 -15.926 0.248 0.330 1.00 0.00 C ATOM 524 CG ASN A 33 -15.921 -1.218 -0.108 1.00 0.00 C ATOM 525 OD1 ASN A 33 -16.126 -1.519 -1.267 1.00 0.00 O ATOM 526 ND2 ASN A 33 -15.692 -2.149 0.778 1.00 0.00 N ATOM 0 H ASN A 33 -13.922 -0.029 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.462 1.637 1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.554 0.373 1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.353 0.872 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.685 -3.130 0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.520 -1.896 1.751 1.00 0.00 H new ATOM 533 N ALA A 34 -12.667 -0.849 1.078 1.00 0.00 N ATOM 534 CA ALA A 34 -11.941 -1.864 1.898 1.00 0.00 C ATOM 535 C ALA A 34 -11.490 -1.259 3.228 1.00 0.00 C ATOM 536 O ALA A 34 -11.122 -0.104 3.305 1.00 0.00 O ATOM 537 CB ALA A 34 -10.720 -2.261 1.065 1.00 0.00 C ATOM 0 H ALA A 34 -12.224 -0.607 0.192 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.576 -2.718 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.137 -3.006 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.049 -2.678 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.103 -1.381 0.882 1.00 0.00 H new ATOM 543 N SER A 35 -11.498 -2.041 4.271 1.00 0.00 N ATOM 544 CA SER A 35 -11.047 -1.523 5.593 1.00 0.00 C ATOM 545 C SER A 35 -9.531 -1.679 5.692 1.00 0.00 C ATOM 546 O SER A 35 -8.951 -2.529 5.046 1.00 0.00 O ATOM 547 CB SER A 35 -11.743 -2.408 6.624 1.00 0.00 C ATOM 548 OG SER A 35 -11.082 -3.666 6.681 1.00 0.00 O ATOM 0 H SER A 35 -11.797 -3.016 4.266 1.00 0.00 H new ATOM 0 HA SER A 35 -11.286 -0.470 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.725 -1.929 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.790 -2.546 6.355 1.00 0.00 H new ATOM 0 HG SER A 35 -11.524 -4.238 7.343 1.00 0.00 H new ATOM 554 N TRP A 36 -8.874 -0.877 6.480 1.00 0.00 N ATOM 555 CA TRP A 36 -7.396 -1.023 6.576 1.00 0.00 C ATOM 556 C TRP A 36 -7.040 -2.485 6.830 1.00 0.00 C ATOM 557 O TRP A 36 -6.021 -2.966 6.391 1.00 0.00 O ATOM 558 CB TRP A 36 -6.947 -0.161 7.755 1.00 0.00 C ATOM 559 CG TRP A 36 -5.503 -0.446 8.023 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.966 -0.692 9.241 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.405 -0.529 7.067 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.608 -0.922 9.093 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.214 -0.832 7.771 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.327 -0.375 5.672 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.991 -0.974 7.110 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.099 -0.518 5.006 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.934 -0.817 5.724 1.00 0.00 C ATOM 0 H TRP A 36 -9.286 -0.140 7.052 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.904 -0.711 5.655 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.090 0.896 7.529 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.548 -0.382 8.637 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.508 -0.707 10.175 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.976 -1.132 9.865 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.219 -0.145 5.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.095 -1.204 7.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.053 -0.397 3.934 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.993 -0.926 5.206 1.00 0.00 H new ATOM 578 N GLU A 37 -7.871 -3.196 7.539 1.00 0.00 N ATOM 579 CA GLU A 37 -7.568 -4.628 7.820 1.00 0.00 C ATOM 580 C GLU A 37 -7.594 -5.444 6.524 1.00 0.00 C ATOM 581 O GLU A 37 -6.689 -6.207 6.242 1.00 0.00 O ATOM 582 CB GLU A 37 -8.674 -5.087 8.770 1.00 0.00 C ATOM 583 CG GLU A 37 -8.403 -4.534 10.172 1.00 0.00 C ATOM 584 CD GLU A 37 -9.680 -3.901 10.727 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.743 -4.221 10.222 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.572 -3.107 11.647 1.00 0.00 O ATOM 0 H GLU A 37 -8.745 -2.850 7.935 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.577 -4.762 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.643 -4.740 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.715 -6.176 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.065 -5.334 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.604 -3.793 10.134 1.00 0.00 H new ATOM 593 N GLN A 38 -8.620 -5.293 5.730 1.00 0.00 N ATOM 594 CA GLN A 38 -8.693 -6.068 4.456 1.00 0.00 C ATOM 595 C GLN A 38 -7.650 -5.556 3.461 1.00 0.00 C ATOM 596 O GLN A 38 -6.932 -6.322 2.841 1.00 0.00 O ATOM 597 CB GLN A 38 -10.103 -5.818 3.921 1.00 0.00 C ATOM 598 CG GLN A 38 -11.061 -6.862 4.496 1.00 0.00 C ATOM 599 CD GLN A 38 -10.936 -8.162 3.700 1.00 0.00 C ATOM 600 OE1 GLN A 38 -10.607 -9.195 4.249 1.00 0.00 O ATOM 601 NE2 GLN A 38 -11.187 -8.156 2.419 1.00 0.00 N ATOM 0 H GLN A 38 -9.408 -4.670 5.907 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.493 -7.129 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.434 -4.816 4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.104 -5.869 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.831 -7.043 5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.086 -6.494 4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.463 -7.289 1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.107 -9.018 1.880 1.00 0.00 H new ATOM 610 N ALA A 39 -7.557 -4.266 3.308 1.00 0.00 N ATOM 611 CA ALA A 39 -6.566 -3.700 2.353 1.00 0.00 C ATOM 612 C ALA A 39 -5.142 -3.949 2.851 1.00 0.00 C ATOM 613 O ALA A 39 -4.257 -4.254 2.079 1.00 0.00 O ATOM 614 CB ALA A 39 -6.868 -2.202 2.314 1.00 0.00 C ATOM 0 H ALA A 39 -8.125 -3.578 3.803 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.637 -4.158 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.178 -1.709 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.891 -2.046 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.751 -1.781 3.313 1.00 0.00 H new ATOM 620 N MET A 40 -4.910 -3.813 4.128 1.00 0.00 N ATOM 621 CA MET A 40 -3.533 -4.030 4.659 1.00 0.00 C ATOM 622 C MET A 40 -3.101 -5.487 4.496 1.00 0.00 C ATOM 623 O MET A 40 -2.027 -5.759 4.016 1.00 0.00 O ATOM 624 CB MET A 40 -3.605 -3.674 6.141 1.00 0.00 C ATOM 625 CG MET A 40 -2.268 -3.999 6.805 1.00 0.00 C ATOM 626 SD MET A 40 -2.350 -3.586 8.566 1.00 0.00 S ATOM 627 CE MET A 40 -2.450 -5.283 9.187 1.00 0.00 C ATOM 0 H MET A 40 -5.611 -3.562 4.825 1.00 0.00 H new ATOM 0 HA MET A 40 -2.806 -3.422 4.121 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.836 -2.616 6.262 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.408 -4.232 6.622 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.035 -5.056 6.679 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.466 -3.437 6.326 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.510 -5.269 10.275 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.338 -5.767 8.781 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.562 -5.836 8.880 1.00 0.00 H new ATOM 637 N LYS A 41 -3.916 -6.426 4.895 1.00 0.00 N ATOM 638 CA LYS A 41 -3.508 -7.855 4.757 1.00 0.00 C ATOM 639 C LYS A 41 -3.322 -8.213 3.277 1.00 0.00 C ATOM 640 O LYS A 41 -2.330 -8.816 2.889 1.00 0.00 O ATOM 641 CB LYS A 41 -4.648 -8.665 5.392 1.00 0.00 C ATOM 642 CG LYS A 41 -5.789 -8.863 4.389 1.00 0.00 C ATOM 643 CD LYS A 41 -6.878 -9.736 5.020 1.00 0.00 C ATOM 644 CE LYS A 41 -7.214 -9.207 6.415 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.229 -10.157 6.951 1.00 0.00 N ATOM 0 H LYS A 41 -4.836 -6.269 5.306 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.556 -8.064 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.274 -9.634 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.020 -8.149 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.204 -7.898 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.412 -9.333 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.770 -9.732 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.538 -10.770 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.328 -9.176 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.609 -8.192 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.511 -9.861 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.063 -10.161 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.823 -11.114 6.990 1.00 0.00 H new ATOM 659 N MET A 42 -4.259 -7.837 2.449 1.00 0.00 N ATOM 660 CA MET A 42 -4.136 -8.151 1.000 1.00 0.00 C ATOM 661 C MET A 42 -2.836 -7.569 0.446 1.00 0.00 C ATOM 662 O MET A 42 -2.217 -8.138 -0.428 1.00 0.00 O ATOM 663 CB MET A 42 -5.345 -7.483 0.344 1.00 0.00 C ATOM 664 CG MET A 42 -6.616 -8.254 0.707 1.00 0.00 C ATOM 665 SD MET A 42 -7.164 -9.222 -0.722 1.00 0.00 S ATOM 666 CE MET A 42 -7.565 -7.827 -1.806 1.00 0.00 C ATOM 0 H MET A 42 -5.102 -7.327 2.714 1.00 0.00 H new ATOM 0 HA MET A 42 -4.112 -9.224 0.810 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.427 -6.448 0.677 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.218 -7.460 -0.738 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.425 -8.913 1.554 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.400 -7.561 1.012 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.372 -8.111 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.880 -6.976 -1.202 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.685 -7.554 -2.388 1.00 0.00 H new ATOM 676 N ILE A 43 -2.420 -6.436 0.944 1.00 0.00 N ATOM 677 CA ILE A 43 -1.163 -5.821 0.433 1.00 0.00 C ATOM 678 C ILE A 43 0.042 -6.288 1.260 1.00 0.00 C ATOM 679 O ILE A 43 1.165 -6.271 0.798 1.00 0.00 O ATOM 680 CB ILE A 43 -1.369 -4.308 0.571 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.326 -3.912 2.048 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.722 -3.912 -0.021 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.165 -2.394 2.160 1.00 0.00 C ATOM 0 H ILE A 43 -2.894 -5.912 1.679 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.958 -6.107 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.574 -3.792 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.241 -4.230 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.498 -4.415 2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.862 -2.836 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.751 -4.184 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.518 -4.433 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.134 -2.108 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.238 -2.090 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.008 -1.902 1.675 1.00 0.00 H new ATOM 695 N ILE A 44 -0.175 -6.713 2.474 1.00 0.00 N ATOM 696 CA ILE A 44 0.975 -7.178 3.301 1.00 0.00 C ATOM 697 C ILE A 44 1.564 -8.436 2.666 1.00 0.00 C ATOM 698 O ILE A 44 2.765 -8.608 2.599 1.00 0.00 O ATOM 699 CB ILE A 44 0.393 -7.455 4.700 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.396 -7.009 5.765 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.104 -8.948 4.884 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.640 -6.474 6.983 1.00 0.00 C ATOM 0 H ILE A 44 -1.088 -6.759 2.926 1.00 0.00 H new ATOM 0 HA ILE A 44 1.781 -6.448 3.367 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.539 -6.900 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.031 -7.846 6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.052 -6.237 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.306 -9.119 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.616 -9.274 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.028 -9.514 4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.353 -6.156 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.024 -5.625 6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.003 -7.259 7.390 1.00 0.00 H new ATOM 714 N ASN A 45 0.726 -9.312 2.179 1.00 0.00 N ATOM 715 CA ASN A 45 1.253 -10.544 1.528 1.00 0.00 C ATOM 716 C ASN A 45 2.263 -10.150 0.443 1.00 0.00 C ATOM 717 O ASN A 45 3.083 -10.940 0.021 1.00 0.00 O ATOM 718 CB ASN A 45 0.031 -11.222 0.907 1.00 0.00 C ATOM 719 CG ASN A 45 0.342 -12.697 0.643 1.00 0.00 C ATOM 720 OD1 ASN A 45 1.046 -13.024 -0.292 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.160 -13.608 1.431 1.00 0.00 N ATOM 0 H ASN A 45 -0.290 -9.229 2.204 1.00 0.00 H new ATOM 0 HA ASN A 45 1.764 -11.206 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.825 -11.134 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.240 -10.724 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.039 -14.594 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.751 -13.334 2.216 1.00 0.00 H new ATOM 728 N ASP A 46 2.198 -8.925 -0.007 1.00 0.00 N ATOM 729 CA ASP A 46 3.138 -8.449 -1.063 1.00 0.00 C ATOM 730 C ASP A 46 4.296 -7.666 -0.432 1.00 0.00 C ATOM 731 O ASP A 46 4.118 -6.986 0.562 1.00 0.00 O ATOM 732 CB ASP A 46 2.291 -7.532 -1.939 1.00 0.00 C ATOM 733 CG ASP A 46 2.936 -7.391 -3.316 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.902 -6.656 -3.421 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.453 -8.021 -4.243 1.00 0.00 O ATOM 0 H ASP A 46 1.527 -8.227 0.315 1.00 0.00 H new ATOM 0 HA ASP A 46 3.583 -9.269 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.284 -7.937 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.195 -6.553 -1.470 1.00 0.00 H new ATOM 740 N PRO A 47 5.451 -7.793 -1.028 1.00 0.00 N ATOM 741 CA PRO A 47 6.659 -7.100 -0.509 1.00 0.00 C ATOM 742 C PRO A 47 6.500 -5.577 -0.586 1.00 0.00 C ATOM 743 O PRO A 47 7.182 -4.845 0.101 1.00 0.00 O ATOM 744 CB PRO A 47 7.779 -7.605 -1.418 1.00 0.00 C ATOM 745 CG PRO A 47 7.085 -8.033 -2.668 1.00 0.00 C ATOM 746 CD PRO A 47 5.745 -8.567 -2.239 1.00 0.00 C ATOM 0 HA PRO A 47 6.853 -7.308 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.510 -6.822 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.318 -8.434 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.969 -7.195 -3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.660 -8.797 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.987 -8.417 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.784 -9.637 -2.034 1.00 0.00 H new ATOM 754 N ARG A 48 5.594 -5.090 -1.391 1.00 0.00 N ATOM 755 CA ARG A 48 5.398 -3.613 -1.464 1.00 0.00 C ATOM 756 C ARG A 48 5.019 -3.070 -0.090 1.00 0.00 C ATOM 757 O ARG A 48 5.231 -1.910 0.203 1.00 0.00 O ATOM 758 CB ARG A 48 4.265 -3.376 -2.453 1.00 0.00 C ATOM 759 CG ARG A 48 4.837 -3.153 -3.851 1.00 0.00 C ATOM 760 CD ARG A 48 4.999 -4.493 -4.559 1.00 0.00 C ATOM 761 NE ARG A 48 3.629 -4.855 -5.016 1.00 0.00 N ATOM 762 CZ ARG A 48 3.456 -5.843 -5.852 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.467 -6.311 -6.532 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.270 -6.364 -6.006 1.00 0.00 N ATOM 0 H ARG A 48 4.987 -5.644 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 48 6.309 -3.107 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.590 -4.232 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.679 -2.509 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.176 -2.505 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.800 -2.647 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.688 -4.414 -5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.403 -5.249 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 48 2.824 -4.330 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.395 -5.905 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.329 -7.083 -7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.480 -6.000 -5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.133 -7.136 -6.659 1.00 0.00 H new ATOM 778 N TYR A 49 4.455 -3.886 0.757 1.00 0.00 N ATOM 779 CA TYR A 49 4.075 -3.378 2.102 1.00 0.00 C ATOM 780 C TYR A 49 5.326 -2.855 2.809 1.00 0.00 C ATOM 781 O TYR A 49 5.285 -1.890 3.553 1.00 0.00 O ATOM 782 CB TYR A 49 3.485 -4.577 2.848 1.00 0.00 C ATOM 783 CG TYR A 49 2.639 -4.073 3.989 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.388 -3.511 3.726 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.106 -4.162 5.306 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.597 -3.039 4.775 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.315 -3.689 6.359 1.00 0.00 C ATOM 788 CZ TYR A 49 1.061 -3.128 6.095 1.00 0.00 C ATOM 789 OH TYR A 49 0.286 -2.662 7.134 1.00 0.00 O ATOM 0 H TYR A 49 4.244 -4.868 0.579 1.00 0.00 H new ATOM 0 HA TYR A 49 3.356 -2.560 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.883 -5.183 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.283 -5.217 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.032 -3.441 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.075 -4.595 5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.371 -2.606 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.673 -3.757 7.376 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.186 -1.851 6.852 1.00 0.00 H new ATOM 799 N SER A 50 6.447 -3.467 2.554 1.00 0.00 N ATOM 800 CA SER A 50 7.705 -3.002 3.191 1.00 0.00 C ATOM 801 C SER A 50 8.113 -1.661 2.580 1.00 0.00 C ATOM 802 O SER A 50 8.986 -0.980 3.078 1.00 0.00 O ATOM 803 CB SER A 50 8.736 -4.081 2.867 1.00 0.00 C ATOM 804 OG SER A 50 9.862 -3.927 3.721 1.00 0.00 O ATOM 0 H SER A 50 6.545 -4.269 1.932 1.00 0.00 H new ATOM 0 HA SER A 50 7.607 -2.855 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.298 -5.070 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.043 -4.005 1.824 1.00 0.00 H new ATOM 0 HG SER A 50 10.525 -4.619 3.516 1.00 0.00 H new ATOM 810 N ALA A 51 7.464 -1.266 1.517 1.00 0.00 N ATOM 811 CA ALA A 51 7.791 0.044 0.896 1.00 0.00 C ATOM 812 C ALA A 51 7.509 1.152 1.909 1.00 0.00 C ATOM 813 O ALA A 51 8.050 2.237 1.831 1.00 0.00 O ATOM 814 CB ALA A 51 6.861 0.164 -0.312 1.00 0.00 C ATOM 0 H ALA A 51 6.724 -1.795 1.055 1.00 0.00 H new ATOM 0 HA ALA A 51 8.836 0.124 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.046 1.110 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.049 -0.661 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.824 0.129 0.022 1.00 0.00 H new ATOM 820 N LEU A 52 6.671 0.875 2.876 1.00 0.00 N ATOM 821 CA LEU A 52 6.364 1.905 3.911 1.00 0.00 C ATOM 822 C LEU A 52 6.696 1.345 5.295 1.00 0.00 C ATOM 823 O LEU A 52 6.180 0.325 5.706 1.00 0.00 O ATOM 824 CB LEU A 52 4.865 2.180 3.773 1.00 0.00 C ATOM 825 CG LEU A 52 4.602 2.999 2.505 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.177 3.548 2.542 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.588 4.166 2.429 1.00 0.00 C ATOM 0 H LEU A 52 6.189 -0.016 2.992 1.00 0.00 H new ATOM 0 HA LEU A 52 6.944 2.819 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.316 1.239 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.503 2.720 4.648 1.00 0.00 H new ATOM 0 HG LEU A 52 4.729 2.359 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.988 4.131 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.469 2.720 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.055 4.185 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.397 4.745 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.463 4.805 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.607 3.780 2.404 1.00 0.00 H new ATOM 839 N ALA A 53 7.575 1.994 6.007 1.00 0.00 N ATOM 840 CA ALA A 53 7.967 1.490 7.355 1.00 0.00 C ATOM 841 C ALA A 53 6.901 1.808 8.406 1.00 0.00 C ATOM 842 O ALA A 53 6.617 1.005 9.272 1.00 0.00 O ATOM 843 CB ALA A 53 9.269 2.220 7.681 1.00 0.00 C ATOM 0 H ALA A 53 8.040 2.853 5.714 1.00 0.00 H new ATOM 0 HA ALA A 53 8.081 0.406 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.627 1.905 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.019 1.981 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.091 3.295 7.688 1.00 0.00 H new ATOM 849 N LYS A 54 6.314 2.972 8.355 1.00 0.00 N ATOM 850 CA LYS A 54 5.285 3.319 9.377 1.00 0.00 C ATOM 851 C LYS A 54 3.878 2.954 8.893 1.00 0.00 C ATOM 852 O LYS A 54 3.531 3.118 7.739 1.00 0.00 O ATOM 853 CB LYS A 54 5.410 4.829 9.578 1.00 0.00 C ATOM 854 CG LYS A 54 5.335 5.149 11.073 1.00 0.00 C ATOM 855 CD LYS A 54 6.368 6.222 11.423 1.00 0.00 C ATOM 856 CE LYS A 54 5.754 7.219 12.410 1.00 0.00 C ATOM 857 NZ LYS A 54 5.802 8.533 11.709 1.00 0.00 N ATOM 0 H LYS A 54 6.499 3.692 7.657 1.00 0.00 H new ATOM 0 HA LYS A 54 5.441 2.768 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.354 5.185 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.613 5.346 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.334 5.496 11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.520 4.248 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.254 5.761 11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.691 6.740 10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.730 6.944 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.317 7.248 13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.398 9.269 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.789 8.772 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.252 8.477 10.828 1.00 0.00 H new ATOM 871 N LEU A 55 3.057 2.468 9.778 1.00 0.00 N ATOM 872 CA LEU A 55 1.672 2.106 9.381 1.00 0.00 C ATOM 873 C LEU A 55 0.875 3.380 9.090 1.00 0.00 C ATOM 874 O LEU A 55 -0.014 3.391 8.264 1.00 0.00 O ATOM 875 CB LEU A 55 1.091 1.355 10.576 1.00 0.00 C ATOM 876 CG LEU A 55 0.067 0.336 10.076 1.00 0.00 C ATOM 877 CD1 LEU A 55 -1.035 1.064 9.307 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.753 -0.670 9.147 1.00 0.00 C ATOM 0 H LEU A 55 3.285 2.306 10.759 1.00 0.00 H new ATOM 0 HA LEU A 55 1.640 1.494 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.886 0.851 11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.620 2.054 11.267 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.364 -0.192 10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.767 0.341 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.525 1.781 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.599 1.590 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.021 -1.395 8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.185 -0.144 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.543 -1.188 9.691 1.00 0.00 H new ATOM 890 N SER A 56 1.195 4.457 9.760 1.00 0.00 N ATOM 891 CA SER A 56 0.459 5.729 9.509 1.00 0.00 C ATOM 892 C SER A 56 0.587 6.105 8.033 1.00 0.00 C ATOM 893 O SER A 56 -0.380 6.458 7.386 1.00 0.00 O ATOM 894 CB SER A 56 1.149 6.770 10.392 1.00 0.00 C ATOM 895 OG SER A 56 2.363 7.174 9.774 1.00 0.00 O ATOM 0 H SER A 56 1.930 4.510 10.466 1.00 0.00 H new ATOM 0 HA SER A 56 -0.604 5.653 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.497 7.631 10.538 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.350 6.352 11.378 1.00 0.00 H new ATOM 0 HG SER A 56 2.809 7.843 10.335 1.00 0.00 H new ATOM 901 N GLU A 57 1.767 6.004 7.482 1.00 0.00 N ATOM 902 CA GLU A 57 1.932 6.327 6.040 1.00 0.00 C ATOM 903 C GLU A 57 1.277 5.220 5.215 1.00 0.00 C ATOM 904 O GLU A 57 0.673 5.469 4.191 1.00 0.00 O ATOM 905 CB GLU A 57 3.442 6.393 5.789 1.00 0.00 C ATOM 906 CG GLU A 57 4.101 5.089 6.232 1.00 0.00 C ATOM 907 CD GLU A 57 5.533 5.031 5.693 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.057 6.076 5.348 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.079 3.941 5.638 1.00 0.00 O ATOM 0 H GLU A 57 2.617 5.714 7.966 1.00 0.00 H new ATOM 0 HA GLU A 57 1.464 7.271 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.636 6.567 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.874 7.232 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.108 5.024 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.528 4.237 5.865 1.00 0.00 H new ATOM 916 N LYS A 58 1.367 3.997 5.671 1.00 0.00 N ATOM 917 CA LYS A 58 0.721 2.882 4.923 1.00 0.00 C ATOM 918 C LYS A 58 -0.783 3.152 4.810 1.00 0.00 C ATOM 919 O LYS A 58 -1.388 2.951 3.775 1.00 0.00 O ATOM 920 CB LYS A 58 0.977 1.633 5.770 1.00 0.00 C ATOM 921 CG LYS A 58 2.421 1.171 5.574 1.00 0.00 C ATOM 922 CD LYS A 58 2.527 -0.323 5.887 1.00 0.00 C ATOM 923 CE LYS A 58 3.143 -0.516 7.277 1.00 0.00 C ATOM 924 NZ LYS A 58 4.545 -0.955 7.027 1.00 0.00 N ATOM 0 H LYS A 58 1.857 3.725 6.523 1.00 0.00 H new ATOM 0 HA LYS A 58 1.113 2.770 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.793 1.850 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.288 0.839 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.739 1.362 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.087 1.738 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.540 -0.784 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.140 -0.820 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.117 0.410 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.593 -1.262 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.992 -1.220 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.543 -1.775 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.080 -0.177 6.591 1.00 0.00 H new ATOM 938 N LYS A 59 -1.386 3.620 5.873 1.00 0.00 N ATOM 939 CA LYS A 59 -2.848 3.918 5.840 1.00 0.00 C ATOM 940 C LYS A 59 -3.110 5.141 4.961 1.00 0.00 C ATOM 941 O LYS A 59 -4.081 5.200 4.236 1.00 0.00 O ATOM 942 CB LYS A 59 -3.225 4.219 7.288 1.00 0.00 C ATOM 943 CG LYS A 59 -2.871 3.025 8.172 1.00 0.00 C ATOM 944 CD LYS A 59 -4.131 2.517 8.875 1.00 0.00 C ATOM 945 CE LYS A 59 -3.921 2.556 10.390 1.00 0.00 C ATOM 946 NZ LYS A 59 -5.289 2.454 10.973 1.00 0.00 N ATOM 0 H LYS A 59 -0.927 3.809 6.764 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.429 3.092 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.698 5.108 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.291 4.433 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.433 2.230 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.122 3.315 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.987 3.133 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.354 1.499 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.288 1.733 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.429 3.479 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.226 2.474 12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.867 3.254 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.730 1.562 10.670 1.00 0.00 H new ATOM 960 N GLN A 60 -2.247 6.120 5.020 1.00 0.00 N ATOM 961 CA GLN A 60 -2.449 7.335 4.183 1.00 0.00 C ATOM 962 C GLN A 60 -2.442 6.945 2.707 1.00 0.00 C ATOM 963 O GLN A 60 -3.240 7.419 1.924 1.00 0.00 O ATOM 964 CB GLN A 60 -1.261 8.241 4.505 1.00 0.00 C ATOM 965 CG GLN A 60 -1.483 8.907 5.864 1.00 0.00 C ATOM 966 CD GLN A 60 -0.225 9.678 6.265 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.200 9.620 7.402 1.00 0.00 O ATOM 968 NE2 GLN A 60 0.393 10.404 5.373 1.00 0.00 N ATOM 0 H GLN A 60 -1.415 6.130 5.609 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.399 7.830 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.339 7.659 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.147 8.999 3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.337 9.583 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.716 8.154 6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.036 10.452 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.233 10.923 5.630 1.00 0.00 H new ATOM 977 N ALA A 61 -1.553 6.071 2.325 1.00 0.00 N ATOM 978 CA ALA A 61 -1.506 5.638 0.902 1.00 0.00 C ATOM 979 C ALA A 61 -2.738 4.791 0.586 1.00 0.00 C ATOM 980 O ALA A 61 -3.326 4.904 -0.471 1.00 0.00 O ATOM 981 CB ALA A 61 -0.230 4.803 0.778 1.00 0.00 C ATOM 0 H ALA A 61 -0.859 5.639 2.935 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.502 6.478 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.126 4.447 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.633 5.416 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.286 3.950 1.454 1.00 0.00 H new ATOM 987 N PHE A 62 -3.143 3.951 1.499 1.00 0.00 N ATOM 988 CA PHE A 62 -4.347 3.113 1.245 1.00 0.00 C ATOM 989 C PHE A 62 -5.578 4.010 1.135 1.00 0.00 C ATOM 990 O PHE A 62 -6.391 3.864 0.245 1.00 0.00 O ATOM 991 CB PHE A 62 -4.459 2.199 2.463 1.00 0.00 C ATOM 992 CG PHE A 62 -5.802 1.513 2.446 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.399 1.180 1.226 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.448 1.207 3.647 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.636 0.542 1.203 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.691 0.567 3.627 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.285 0.233 2.405 1.00 0.00 C ATOM 0 H PHE A 62 -2.695 3.810 2.404 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.274 2.543 0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.659 1.459 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.345 2.778 3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.899 1.419 0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.988 1.465 4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.095 0.286 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.192 0.331 4.554 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.244 -0.263 2.389 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.708 4.952 2.029 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.873 5.877 1.972 1.00 0.00 C ATOM 1009 C ASN A 63 -6.852 6.632 0.643 1.00 0.00 C ATOM 1010 O ASN A 63 -7.854 6.751 -0.035 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.677 6.835 3.147 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.063 6.129 4.449 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -7.182 4.921 4.485 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.264 6.837 5.528 1.00 0.00 N ATOM 0 H ASN A 63 -5.057 5.120 2.796 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.830 5.360 2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.639 7.164 3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.288 7.727 3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.521 6.375 6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.164 7.852 5.498 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.708 7.127 0.256 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.615 7.853 -1.041 1.00 0.00 C ATOM 1023 C ALA A 64 -5.901 6.875 -2.179 1.00 0.00 C ATOM 1024 O ALA A 64 -6.514 7.216 -3.171 1.00 0.00 O ATOM 1025 CB ALA A 64 -4.175 8.363 -1.118 1.00 0.00 C ATOM 0 H ALA A 64 -4.836 7.060 0.781 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.329 8.673 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.032 8.910 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.978 9.025 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.487 7.518 -1.084 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.469 5.653 -2.028 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.722 4.633 -3.082 1.00 0.00 C ATOM 1033 C TYR A 65 -7.227 4.432 -3.243 1.00 0.00 C ATOM 1034 O TYR A 65 -7.744 4.342 -4.338 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.070 3.355 -2.552 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.662 2.160 -3.258 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -6.853 1.581 -2.788 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -5.025 1.637 -4.390 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -7.398 0.477 -3.455 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -5.573 0.535 -5.055 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.758 -0.046 -4.588 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.296 -1.133 -5.244 1.00 0.00 O ATOM 0 H TYR A 65 -4.950 5.317 -1.217 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.323 4.922 -4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.993 3.390 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.229 3.272 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.346 1.986 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.110 2.085 -4.750 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.312 0.028 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.082 0.132 -5.929 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.274 -1.098 -5.188 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.928 4.360 -2.149 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.398 4.163 -2.215 1.00 0.00 C ATOM 1054 C LYS A 66 -10.062 5.401 -2.824 1.00 0.00 C ATOM 1055 O LYS A 66 -11.028 5.303 -3.555 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.823 3.980 -0.760 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.737 2.504 -0.377 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.736 2.362 1.148 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.735 3.332 1.780 1.00 0.00 C ATOM 1060 NZ LYS A 66 -9.905 4.443 2.327 1.00 0.00 N ATOM 0 H LYS A 66 -7.543 4.430 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.686 3.314 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.182 4.572 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.842 4.342 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.580 1.959 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.831 2.063 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.991 1.339 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.736 2.557 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.448 3.699 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.312 2.846 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.359 4.828 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.960 4.083 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.816 5.194 1.613 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.547 6.567 -2.533 1.00 0.00 N ATOM 1075 CA VAL A 67 -10.146 7.810 -3.102 1.00 0.00 C ATOM 1076 C VAL A 67 -9.817 7.918 -4.593 1.00 0.00 C ATOM 1077 O VAL A 67 -10.541 8.523 -5.358 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.491 8.956 -2.331 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.941 10.294 -2.921 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.903 8.883 -0.860 1.00 0.00 C ATOM 0 H VAL A 67 -8.739 6.712 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.232 7.823 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.407 8.872 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.473 11.110 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.646 10.347 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.025 10.379 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.436 9.700 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.987 8.966 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.580 7.931 -0.439 1.00 0.00 H new