USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=11 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 Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -82:sc= 0.904 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= -0.976 X(o=-0.98,f=-0.98) USER MOD Single : A 22 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.234) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -141:sc=-0.00288 (180deg=-0.0834) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 33 ASN : amide:sc= -1.08! X(o=-1.1!,f=-0.71) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -152:sc= -0.35 (180deg=-1.11) USER MOD Single : A 45 ASN : amide:sc=-8.76e-05 X(o=-8.8e-05,f=0) USER MOD Single : A 49 TYR OH : rot -17:sc= -5.79! 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 USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.514!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -152:sc= 1.2 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.298 0.245 -1.148 1.00 0.00 N ATOM 138 CA TRP A 11 12.918 1.673 -1.339 1.00 0.00 C ATOM 139 C TRP A 11 13.924 2.610 -0.672 1.00 0.00 C ATOM 140 O TRP A 11 14.201 2.513 0.508 1.00 0.00 O ATOM 141 CB TRP A 11 11.546 1.800 -0.680 1.00 0.00 C ATOM 142 CG TRP A 11 10.533 1.084 -1.512 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.891 1.616 -2.574 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.038 -0.279 -1.374 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.028 0.669 -3.095 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.083 -0.515 -2.390 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.319 -1.321 -0.475 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.431 -1.741 -2.510 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.665 -2.558 -0.593 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.723 -2.767 -1.609 1.00 0.00 C ATOM 0 HA TRP A 11 12.902 1.950 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.572 1.379 0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.274 2.851 -0.579 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.029 2.617 -2.954 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.425 0.827 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.043 -1.170 0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.705 -1.896 -3.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.889 -3.353 0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.223 -3.721 -1.695 1.00 0.00 H new ATOM 161 N ASN A 12 14.460 3.531 -1.424 1.00 0.00 N ATOM 162 CA ASN A 12 15.436 4.500 -0.852 1.00 0.00 C ATOM 163 C ASN A 12 14.799 5.891 -0.814 1.00 0.00 C ATOM 164 O ASN A 12 15.220 6.762 -0.079 1.00 0.00 O ATOM 165 CB ASN A 12 16.627 4.477 -1.810 1.00 0.00 C ATOM 166 CG ASN A 12 17.259 3.083 -1.811 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.241 2.397 -2.813 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.822 2.632 -0.723 1.00 0.00 N ATOM 0 H ASN A 12 14.262 3.655 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 12 15.738 4.249 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.302 4.741 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.364 5.221 -1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.246 1.704 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.838 3.207 0.119 1.00 0.00 H new ATOM 175 N THR A 13 13.780 6.095 -1.605 1.00 0.00 N ATOM 176 CA THR A 13 13.094 7.419 -1.628 1.00 0.00 C ATOM 177 C THR A 13 11.647 7.265 -1.154 1.00 0.00 C ATOM 178 O THR A 13 11.043 6.221 -1.308 1.00 0.00 O ATOM 179 CB THR A 13 13.130 7.860 -3.091 1.00 0.00 C ATOM 180 OG1 THR A 13 12.544 6.851 -3.902 1.00 0.00 O ATOM 181 CG2 THR A 13 14.578 8.089 -3.524 1.00 0.00 C ATOM 0 H THR A 13 13.391 5.397 -2.240 1.00 0.00 H new ATOM 0 HA THR A 13 13.573 8.145 -0.972 1.00 0.00 H new ATOM 0 HB THR A 13 12.571 8.789 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.206 6.151 -4.082 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.600 8.403 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.026 8.864 -2.902 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.142 7.163 -3.412 1.00 0.00 H new ATOM 189 N LYS A 14 11.084 8.293 -0.583 1.00 0.00 N ATOM 190 CA LYS A 14 9.675 8.196 -0.104 1.00 0.00 C ATOM 191 C LYS A 14 8.720 8.056 -1.293 1.00 0.00 C ATOM 192 O LYS A 14 7.640 7.512 -1.171 1.00 0.00 O ATOM 193 CB LYS A 14 9.417 9.506 0.644 1.00 0.00 C ATOM 194 CG LYS A 14 9.357 9.230 2.148 1.00 0.00 C ATOM 195 CD LYS A 14 7.901 9.252 2.613 1.00 0.00 C ATOM 196 CE LYS A 14 7.652 8.083 3.565 1.00 0.00 C ATOM 197 NZ LYS A 14 7.285 8.714 4.863 1.00 0.00 N ATOM 0 H LYS A 14 11.536 9.194 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 14 9.515 7.327 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.208 10.224 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.481 9.951 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.806 8.262 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.934 9.980 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.682 10.195 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.233 9.184 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.852 7.439 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.541 7.460 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.099 7.973 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.068 9.315 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.432 9.295 4.738 1.00 0.00 H new ATOM 211 N GLU A 15 9.106 8.539 -2.444 1.00 0.00 N ATOM 212 CA GLU A 15 8.213 8.424 -3.633 1.00 0.00 C ATOM 213 C GLU A 15 8.051 6.957 -4.025 1.00 0.00 C ATOM 214 O GLU A 15 6.957 6.477 -4.245 1.00 0.00 O ATOM 215 CB GLU A 15 8.925 9.202 -4.745 1.00 0.00 C ATOM 216 CG GLU A 15 8.391 8.763 -6.115 1.00 0.00 C ATOM 217 CD GLU A 15 6.936 9.210 -6.261 1.00 0.00 C ATOM 218 OE1 GLU A 15 6.499 10.013 -5.454 1.00 0.00 O ATOM 219 OE2 GLU A 15 6.282 8.740 -7.178 1.00 0.00 O ATOM 0 H GLU A 15 9.997 9.006 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 15 7.214 8.816 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.768 10.272 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.000 9.028 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.998 9.197 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.462 7.680 -6.215 1.00 0.00 H new ATOM 226 N GLU A 16 9.136 6.245 -4.117 1.00 0.00 N ATOM 227 CA GLU A 16 9.052 4.809 -4.498 1.00 0.00 C ATOM 228 C GLU A 16 8.276 4.031 -3.439 1.00 0.00 C ATOM 229 O GLU A 16 7.419 3.229 -3.747 1.00 0.00 O ATOM 230 CB GLU A 16 10.503 4.328 -4.562 1.00 0.00 C ATOM 231 CG GLU A 16 11.187 4.933 -5.788 1.00 0.00 C ATOM 232 CD GLU A 16 12.666 4.540 -5.792 1.00 0.00 C ATOM 233 OE1 GLU A 16 13.270 4.570 -4.733 1.00 0.00 O ATOM 234 OE2 GLU A 16 13.169 4.216 -6.855 1.00 0.00 O ATOM 0 H GLU A 16 10.079 6.595 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 16 8.534 4.662 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.034 4.619 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.535 3.240 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.703 4.580 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.088 6.018 -5.775 1.00 0.00 H new ATOM 241 N ALA A 17 8.574 4.259 -2.192 1.00 0.00 N ATOM 242 CA ALA A 17 7.856 3.530 -1.111 1.00 0.00 C ATOM 243 C ALA A 17 6.353 3.793 -1.217 1.00 0.00 C ATOM 244 O ALA A 17 5.547 2.882 -1.178 1.00 0.00 O ATOM 245 CB ALA A 17 8.412 4.104 0.191 1.00 0.00 C ATOM 0 H ALA A 17 9.284 4.919 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 17 7.998 2.451 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.931 3.616 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.487 3.931 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.215 5.175 0.230 1.00 0.00 H new ATOM 251 N LYS A 18 5.971 5.030 -1.370 1.00 0.00 N ATOM 252 CA LYS A 18 4.523 5.347 -1.499 1.00 0.00 C ATOM 253 C LYS A 18 4.000 4.755 -2.803 1.00 0.00 C ATOM 254 O LYS A 18 2.864 4.340 -2.904 1.00 0.00 O ATOM 255 CB LYS A 18 4.451 6.874 -1.540 1.00 0.00 C ATOM 256 CG LYS A 18 3.126 7.337 -0.929 1.00 0.00 C ATOM 257 CD LYS A 18 3.325 8.683 -0.232 1.00 0.00 C ATOM 258 CE LYS A 18 2.918 9.814 -1.179 1.00 0.00 C ATOM 259 NZ LYS A 18 2.489 10.927 -0.287 1.00 0.00 N ATOM 0 H LYS A 18 6.598 5.833 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 18 3.925 4.940 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.288 7.303 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.532 7.225 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.367 7.427 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.765 6.597 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.728 8.725 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.367 8.800 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.751 10.116 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.109 9.504 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.195 11.741 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.691 10.613 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.282 11.206 0.326 1.00 0.00 H new ATOM 273 N GLN A 19 4.835 4.712 -3.802 1.00 0.00 N ATOM 274 CA GLN A 19 4.409 4.147 -5.111 1.00 0.00 C ATOM 275 C GLN A 19 4.199 2.635 -4.992 1.00 0.00 C ATOM 276 O GLN A 19 3.223 2.100 -5.483 1.00 0.00 O ATOM 277 CB GLN A 19 5.553 4.461 -6.072 1.00 0.00 C ATOM 278 CG GLN A 19 5.072 4.276 -7.511 1.00 0.00 C ATOM 279 CD GLN A 19 5.327 2.835 -7.946 1.00 0.00 C ATOM 280 OE1 GLN A 19 4.439 2.168 -8.440 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.513 2.321 -7.779 1.00 0.00 N ATOM 0 H GLN A 19 5.798 5.045 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 19 3.465 4.569 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.899 5.484 -5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.400 3.805 -5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.009 4.508 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.595 4.966 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.258 2.881 -7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.696 1.359 -8.063 1.00 0.00 H new ATOM 290 N ALA A 20 5.093 1.934 -4.342 1.00 0.00 N ATOM 291 CA ALA A 20 4.902 0.462 -4.208 1.00 0.00 C ATOM 292 C ALA A 20 3.682 0.186 -3.332 1.00 0.00 C ATOM 293 O ALA A 20 2.962 -0.761 -3.550 1.00 0.00 O ATOM 294 CB ALA A 20 6.179 -0.083 -3.559 1.00 0.00 C ATOM 0 H ALA A 20 5.934 2.312 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 20 4.729 -0.017 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.093 -1.163 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.035 0.143 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.319 0.383 -2.583 1.00 0.00 H new ATOM 300 N PHE A 21 3.433 1.013 -2.350 1.00 0.00 N ATOM 301 CA PHE A 21 2.240 0.783 -1.480 1.00 0.00 C ATOM 302 C PHE A 21 0.960 1.048 -2.277 1.00 0.00 C ATOM 303 O PHE A 21 0.025 0.273 -2.241 1.00 0.00 O ATOM 304 CB PHE A 21 2.373 1.782 -0.330 1.00 0.00 C ATOM 305 CG PHE A 21 1.456 1.372 0.800 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.128 1.818 0.824 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.934 0.545 1.823 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.720 1.437 1.872 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.085 0.165 2.871 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.241 0.611 2.895 1.00 0.00 C ATOM 0 H PHE A 21 3.997 1.829 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 21 2.189 -0.242 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.405 1.816 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.119 2.785 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.242 2.455 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.957 0.200 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.744 1.781 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.454 -0.473 3.661 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.895 0.318 3.703 1.00 0.00 H new ATOM 320 N LYS A 22 0.914 2.126 -3.014 1.00 0.00 N ATOM 321 CA LYS A 22 -0.304 2.409 -3.823 1.00 0.00 C ATOM 322 C LYS A 22 -0.418 1.360 -4.928 1.00 0.00 C ATOM 323 O LYS A 22 -1.460 0.770 -5.135 1.00 0.00 O ATOM 324 CB LYS A 22 -0.089 3.803 -4.413 1.00 0.00 C ATOM 325 CG LYS A 22 -0.638 4.852 -3.444 1.00 0.00 C ATOM 326 CD LYS A 22 -1.046 6.103 -4.223 1.00 0.00 C ATOM 327 CE LYS A 22 0.156 6.629 -5.014 1.00 0.00 C ATOM 328 NZ LYS A 22 0.944 7.438 -4.041 1.00 0.00 N ATOM 0 H LYS A 22 1.661 2.817 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.221 2.372 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.972 3.976 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.591 3.884 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.496 4.451 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.117 5.105 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.867 5.870 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.407 6.870 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.751 5.809 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.165 7.236 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.997 8.423 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.481 7.409 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.905 7.047 -3.962 1.00 0.00 H new ATOM 342 N GLU A 23 0.658 1.104 -5.623 1.00 0.00 N ATOM 343 CA GLU A 23 0.622 0.070 -6.693 1.00 0.00 C ATOM 344 C GLU A 23 0.307 -1.284 -6.056 1.00 0.00 C ATOM 345 O GLU A 23 -0.320 -2.138 -6.650 1.00 0.00 O ATOM 346 CB GLU A 23 2.027 0.074 -7.304 1.00 0.00 C ATOM 347 CG GLU A 23 2.022 -0.731 -8.604 1.00 0.00 C ATOM 348 CD GLU A 23 1.385 0.102 -9.718 1.00 0.00 C ATOM 349 OE1 GLU A 23 0.392 0.757 -9.448 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.902 0.071 -10.823 1.00 0.00 O ATOM 0 H GLU A 23 1.558 1.566 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.136 0.264 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.347 1.098 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.742 -0.355 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.041 -1.006 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.467 -1.659 -8.467 1.00 0.00 H new ATOM 357 N LEU A 24 0.729 -1.470 -4.834 1.00 0.00 N ATOM 358 CA LEU A 24 0.451 -2.748 -4.122 1.00 0.00 C ATOM 359 C LEU A 24 -1.062 -2.919 -3.970 1.00 0.00 C ATOM 360 O LEU A 24 -1.620 -3.941 -4.316 1.00 0.00 O ATOM 361 CB LEU A 24 1.133 -2.581 -2.761 1.00 0.00 C ATOM 362 CG LEU A 24 0.822 -3.767 -1.854 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.179 -5.070 -2.573 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.659 -3.639 -0.573 1.00 0.00 C ATOM 0 H LEU A 24 1.259 -0.785 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 24 0.819 -3.629 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.211 -2.493 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.795 -1.658 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.239 -3.777 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.956 -5.917 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.594 -5.152 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.241 -5.071 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.447 -4.481 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.718 -3.637 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.407 -2.708 -0.065 1.00 0.00 H new ATOM 376 N LEU A 25 -1.734 -1.911 -3.480 1.00 0.00 N ATOM 377 CA LEU A 25 -3.215 -2.006 -3.333 1.00 0.00 C ATOM 378 C LEU A 25 -3.854 -2.211 -4.708 1.00 0.00 C ATOM 379 O LEU A 25 -4.813 -2.944 -4.857 1.00 0.00 O ATOM 380 CB LEU A 25 -3.644 -0.665 -2.740 1.00 0.00 C ATOM 381 CG LEU A 25 -3.644 -0.753 -1.216 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.808 0.388 -0.635 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.082 -0.640 -0.711 1.00 0.00 C ATOM 0 H LEU A 25 -1.322 -1.029 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.520 -2.841 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.966 0.123 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.638 -0.399 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.216 -1.706 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.810 0.323 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.784 0.312 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.233 1.344 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.091 -0.702 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.503 0.315 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.678 -1.453 -1.126 1.00 0.00 H new ATOM 395 N LYS A 26 -3.324 -1.568 -5.715 1.00 0.00 N ATOM 396 CA LYS A 26 -3.894 -1.728 -7.082 1.00 0.00 C ATOM 397 C LYS A 26 -3.730 -3.177 -7.541 1.00 0.00 C ATOM 398 O LYS A 26 -4.647 -3.781 -8.062 1.00 0.00 O ATOM 399 CB LYS A 26 -3.077 -0.787 -7.968 1.00 0.00 C ATOM 400 CG LYS A 26 -4.019 0.163 -8.709 1.00 0.00 C ATOM 401 CD LYS A 26 -3.420 1.571 -8.716 1.00 0.00 C ATOM 402 CE LYS A 26 -3.964 2.363 -7.525 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.819 3.423 -8.128 1.00 0.00 N ATOM 0 H LYS A 26 -2.523 -0.940 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.958 -1.494 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.373 -0.218 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.488 -1.363 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.173 -0.184 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.996 0.174 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.333 1.515 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.668 2.079 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.540 1.724 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.155 2.795 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.229 4.009 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.242 4.019 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.584 2.981 -8.677 1.00 0.00 H new ATOM 417 N GLU A 27 -2.573 -3.747 -7.334 1.00 0.00 N ATOM 418 CA GLU A 27 -2.360 -5.164 -7.743 1.00 0.00 C ATOM 419 C GLU A 27 -3.206 -6.075 -6.854 1.00 0.00 C ATOM 420 O GLU A 27 -3.624 -7.144 -7.254 1.00 0.00 O ATOM 421 CB GLU A 27 -0.870 -5.426 -7.521 1.00 0.00 C ATOM 422 CG GLU A 27 -0.179 -5.637 -8.868 1.00 0.00 C ATOM 423 CD GLU A 27 1.006 -4.677 -8.991 1.00 0.00 C ATOM 424 OE1 GLU A 27 2.017 -4.931 -8.357 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.881 -3.704 -9.716 1.00 0.00 O ATOM 0 H GLU A 27 -1.769 -3.293 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.647 -5.354 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.417 -4.585 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.735 -6.305 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.164 -6.668 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.885 -5.466 -9.681 1.00 0.00 H new ATOM 432 N LYS A 28 -3.473 -5.646 -5.652 1.00 0.00 N ATOM 433 CA LYS A 28 -4.304 -6.465 -4.729 1.00 0.00 C ATOM 434 C LYS A 28 -5.783 -6.279 -5.071 1.00 0.00 C ATOM 435 O LYS A 28 -6.648 -6.910 -4.499 1.00 0.00 O ATOM 436 CB LYS A 28 -4.001 -5.922 -3.332 1.00 0.00 C ATOM 437 CG LYS A 28 -2.840 -6.705 -2.713 1.00 0.00 C ATOM 438 CD LYS A 28 -1.527 -6.345 -3.414 1.00 0.00 C ATOM 439 CE LYS A 28 -0.543 -7.508 -3.276 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.919 -8.466 -4.354 1.00 0.00 N ATOM 0 H LYS A 28 -3.149 -4.758 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.086 -7.531 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.748 -4.863 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.885 -6.004 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.766 -6.480 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.026 -7.775 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.710 -6.132 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.103 -5.442 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.486 -7.169 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.617 -7.972 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.835 -9.440 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.900 -8.288 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.284 -8.339 -5.168 1.00 0.00 H new ATOM 454 N ARG A 29 -6.075 -5.415 -6.004 1.00 0.00 N ATOM 455 CA ARG A 29 -7.494 -5.183 -6.392 1.00 0.00 C ATOM 456 C ARG A 29 -8.307 -4.709 -5.187 1.00 0.00 C ATOM 457 O ARG A 29 -9.461 -5.056 -5.032 1.00 0.00 O ATOM 458 CB ARG A 29 -7.997 -6.541 -6.879 1.00 0.00 C ATOM 459 CG ARG A 29 -7.823 -6.629 -8.395 1.00 0.00 C ATOM 460 CD ARG A 29 -8.738 -7.720 -8.956 1.00 0.00 C ATOM 461 NE ARG A 29 -8.583 -7.624 -10.434 1.00 0.00 N ATOM 462 CZ ARG A 29 -9.479 -8.153 -11.220 1.00 0.00 C ATOM 463 NH1 ARG A 29 -9.289 -9.344 -11.718 1.00 0.00 N ATOM 464 NH2 ARG A 29 -10.566 -7.491 -11.510 1.00 0.00 N ATOM 0 H ARG A 29 -5.390 -4.859 -6.515 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.590 -4.413 -7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.444 -7.343 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.046 -6.670 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.061 -5.670 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.784 -6.851 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.448 -8.705 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.774 -7.561 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.776 -7.144 -10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.439 -9.862 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.990 -9.758 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.715 -6.560 -11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.267 -7.905 -12.125 1.00 0.00 H new ATOM 478 N VAL A 30 -7.720 -3.916 -4.333 1.00 0.00 N ATOM 479 CA VAL A 30 -8.475 -3.425 -3.146 1.00 0.00 C ATOM 480 C VAL A 30 -9.585 -2.467 -3.588 1.00 0.00 C ATOM 481 O VAL A 30 -9.347 -1.553 -4.353 1.00 0.00 O ATOM 482 CB VAL A 30 -7.444 -2.693 -2.287 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.144 -2.058 -1.085 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.393 -3.686 -1.792 1.00 0.00 C ATOM 0 H VAL A 30 -6.757 -3.589 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.953 -4.237 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.961 -1.918 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.410 -1.535 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.896 -1.350 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.626 -2.835 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.658 -3.163 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.876 -4.461 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.894 -4.143 -2.646 1.00 0.00 H new ATOM 494 N PRO A 31 -10.767 -2.710 -3.088 1.00 0.00 N ATOM 495 CA PRO A 31 -11.929 -1.855 -3.436 1.00 0.00 C ATOM 496 C PRO A 31 -11.806 -0.487 -2.760 1.00 0.00 C ATOM 497 O PRO A 31 -11.011 -0.296 -1.861 1.00 0.00 O ATOM 498 CB PRO A 31 -13.120 -2.631 -2.884 1.00 0.00 C ATOM 499 CG PRO A 31 -12.556 -3.474 -1.786 1.00 0.00 C ATOM 500 CD PRO A 31 -11.131 -3.789 -2.163 1.00 0.00 C ATOM 0 HA PRO A 31 -12.014 -1.658 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.890 -1.957 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.583 -3.246 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.595 -2.945 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.135 -4.390 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.480 -3.803 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.050 -4.767 -2.637 1.00 0.00 H new ATOM 508 N SER A 32 -12.587 0.465 -3.187 1.00 0.00 N ATOM 509 CA SER A 32 -12.516 1.821 -2.571 1.00 0.00 C ATOM 510 C SER A 32 -13.166 1.811 -1.184 1.00 0.00 C ATOM 511 O SER A 32 -13.090 2.774 -0.448 1.00 0.00 O ATOM 512 CB SER A 32 -13.297 2.727 -3.523 1.00 0.00 C ATOM 513 OG SER A 32 -14.611 2.213 -3.687 1.00 0.00 O ATOM 0 H SER A 32 -13.272 0.364 -3.936 1.00 0.00 H new ATOM 0 HA SER A 32 -11.489 2.159 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.338 3.742 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.792 2.782 -4.488 1.00 0.00 H new ATOM 0 HG SER A 32 -15.115 2.792 -4.296 1.00 0.00 H new ATOM 519 N ASN A 33 -13.808 0.733 -0.824 1.00 0.00 N ATOM 520 CA ASN A 33 -14.462 0.673 0.514 1.00 0.00 C ATOM 521 C ASN A 33 -13.803 -0.400 1.386 1.00 0.00 C ATOM 522 O ASN A 33 -14.377 -0.864 2.351 1.00 0.00 O ATOM 523 CB ASN A 33 -15.917 0.304 0.223 1.00 0.00 C ATOM 524 CG ASN A 33 -15.977 -1.093 -0.394 1.00 0.00 C ATOM 525 OD1 ASN A 33 -16.209 -1.238 -1.578 1.00 0.00 O ATOM 526 ND2 ASN A 33 -15.774 -2.138 0.363 1.00 0.00 N ATOM 0 H ASN A 33 -13.908 -0.106 -1.396 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.376 1.615 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.501 0.332 1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.359 1.032 -0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.810 -3.074 -0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.579 -2.018 1.357 1.00 0.00 H new ATOM 533 N ALA A 34 -12.603 -0.798 1.059 1.00 0.00 N ATOM 534 CA ALA A 34 -11.919 -1.842 1.879 1.00 0.00 C ATOM 535 C ALA A 34 -11.478 -1.260 3.221 1.00 0.00 C ATOM 536 O ALA A 34 -11.121 -0.103 3.321 1.00 0.00 O ATOM 537 CB ALA A 34 -10.696 -2.266 1.065 1.00 0.00 C ATOM 0 H ALA A 34 -12.068 -0.448 0.264 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.579 -2.683 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.145 -3.033 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.019 -2.664 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.051 -1.403 0.902 1.00 0.00 H new ATOM 543 N SER A 35 -11.484 -2.058 4.251 1.00 0.00 N ATOM 544 CA SER A 35 -11.047 -1.556 5.583 1.00 0.00 C ATOM 545 C SER A 35 -9.528 -1.684 5.689 1.00 0.00 C ATOM 546 O SER A 35 -8.928 -2.532 5.058 1.00 0.00 O ATOM 547 CB SER A 35 -11.737 -2.466 6.598 1.00 0.00 C ATOM 548 OG SER A 35 -11.044 -3.706 6.664 1.00 0.00 O ATOM 0 H SER A 35 -11.773 -3.036 4.228 1.00 0.00 H new ATOM 0 HA SER A 35 -11.303 -0.510 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.751 -1.991 7.579 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.775 -2.631 6.309 1.00 0.00 H new ATOM 0 HG SER A 35 -11.483 -4.292 7.316 1.00 0.00 H new ATOM 554 N TRP A 36 -8.891 -0.858 6.469 1.00 0.00 N ATOM 555 CA TRP A 36 -7.412 -0.968 6.577 1.00 0.00 C ATOM 556 C TRP A 36 -7.024 -2.420 6.834 1.00 0.00 C ATOM 557 O TRP A 36 -6.004 -2.886 6.382 1.00 0.00 O ATOM 558 CB TRP A 36 -7.009 -0.100 7.768 1.00 0.00 C ATOM 559 CG TRP A 36 -5.560 -0.331 8.059 1.00 0.00 C ATOM 560 CD1 TRP A 36 -5.035 -0.544 9.287 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.446 -0.388 7.121 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.668 -0.727 9.162 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.257 -0.639 7.845 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.353 -0.245 5.725 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.019 -0.746 7.204 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.111 -0.351 5.080 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.947 -0.602 5.817 1.00 0.00 C ATOM 0 H TRP A 36 -9.322 -0.122 7.028 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.915 -0.644 5.663 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.187 0.952 7.547 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.614 -0.349 8.640 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.590 -0.568 10.213 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.041 -0.905 9.946 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.244 -0.052 5.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.125 -0.939 7.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.053 -0.238 4.008 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.995 -0.684 5.313 1.00 0.00 H new ATOM 578 N GLU A 37 -7.830 -3.142 7.559 1.00 0.00 N ATOM 579 CA GLU A 37 -7.500 -4.568 7.844 1.00 0.00 C ATOM 580 C GLU A 37 -7.526 -5.395 6.553 1.00 0.00 C ATOM 581 O GLU A 37 -6.616 -6.149 6.272 1.00 0.00 O ATOM 582 CB GLU A 37 -8.587 -5.039 8.809 1.00 0.00 C ATOM 583 CG GLU A 37 -8.082 -4.908 10.249 1.00 0.00 C ATOM 584 CD GLU A 37 -9.177 -5.362 11.215 1.00 0.00 C ATOM 585 OE1 GLU A 37 -9.502 -6.538 11.202 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.673 -4.526 11.953 1.00 0.00 O ATOM 0 H GLU A 37 -8.703 -2.808 7.967 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.502 -4.682 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.491 -4.445 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.852 -6.075 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.186 -5.512 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.805 -3.874 10.456 1.00 0.00 H new ATOM 593 N GLN A 38 -8.561 -5.263 5.765 1.00 0.00 N ATOM 594 CA GLN A 38 -8.637 -6.049 4.498 1.00 0.00 C ATOM 595 C GLN A 38 -7.597 -5.548 3.494 1.00 0.00 C ATOM 596 O GLN A 38 -6.880 -6.321 2.883 1.00 0.00 O ATOM 597 CB GLN A 38 -10.050 -5.799 3.967 1.00 0.00 C ATOM 598 CG GLN A 38 -11.073 -6.353 4.961 1.00 0.00 C ATOM 599 CD GLN A 38 -11.935 -7.412 4.270 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.546 -8.558 4.172 1.00 0.00 O ATOM 601 NE2 GLN A 38 -13.098 -7.074 3.785 1.00 0.00 N ATOM 0 H GLN A 38 -9.354 -4.647 5.943 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.436 -7.108 4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.211 -4.731 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.175 -6.277 2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.562 -6.788 5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.702 -5.547 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.425 -6.111 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.681 -7.773 3.323 1.00 0.00 H new ATOM 610 N ALA A 39 -7.507 -4.260 3.325 1.00 0.00 N ATOM 611 CA ALA A 39 -6.515 -3.704 2.365 1.00 0.00 C ATOM 612 C ALA A 39 -5.095 -3.941 2.874 1.00 0.00 C ATOM 613 O ALA A 39 -4.201 -4.241 2.115 1.00 0.00 O ATOM 614 CB ALA A 39 -6.821 -2.208 2.302 1.00 0.00 C ATOM 0 H ALA A 39 -8.078 -3.568 3.810 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.581 -4.175 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.130 -1.724 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.843 -2.060 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.708 -1.771 3.294 1.00 0.00 H new ATOM 620 N MET A 40 -4.881 -3.803 4.155 1.00 0.00 N ATOM 621 CA MET A 40 -3.511 -4.011 4.708 1.00 0.00 C ATOM 622 C MET A 40 -3.075 -5.467 4.550 1.00 0.00 C ATOM 623 O MET A 40 -1.987 -5.738 4.106 1.00 0.00 O ATOM 624 CB MET A 40 -3.607 -3.648 6.189 1.00 0.00 C ATOM 625 CG MET A 40 -2.283 -3.972 6.881 1.00 0.00 C ATOM 626 SD MET A 40 -2.561 -5.227 8.156 1.00 0.00 S ATOM 627 CE MET A 40 -2.912 -4.093 9.523 1.00 0.00 C ATOM 0 H MET A 40 -5.594 -3.556 4.841 1.00 0.00 H new ATOM 0 HA MET A 40 -2.775 -3.402 4.184 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.838 -2.589 6.300 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.420 -4.202 6.658 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.558 -4.333 6.152 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.864 -3.071 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.116 -4.666 10.428 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.051 -3.446 9.690 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.781 -3.483 9.276 1.00 0.00 H new ATOM 637 N LYS A 41 -3.900 -6.407 4.919 1.00 0.00 N ATOM 638 CA LYS A 41 -3.489 -7.836 4.786 1.00 0.00 C ATOM 639 C LYS A 41 -3.268 -8.193 3.310 1.00 0.00 C ATOM 640 O LYS A 41 -2.257 -8.780 2.941 1.00 0.00 O ATOM 641 CB LYS A 41 -4.657 -8.640 5.358 1.00 0.00 C ATOM 642 CG LYS A 41 -4.644 -8.549 6.885 1.00 0.00 C ATOM 643 CD LYS A 41 -6.014 -8.958 7.435 1.00 0.00 C ATOM 644 CE LYS A 41 -6.199 -10.469 7.276 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.780 -11.048 8.583 1.00 0.00 N ATOM 0 H LYS A 41 -4.832 -6.252 5.303 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.554 -8.044 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.600 -8.257 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.583 -9.681 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.869 -9.198 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.404 -7.532 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.093 -8.680 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.804 -8.427 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.235 -10.718 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.591 -10.857 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.879 -12.083 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.787 -10.800 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.381 -10.665 9.341 1.00 0.00 H new ATOM 659 N MET A 42 -4.200 -7.837 2.463 1.00 0.00 N ATOM 660 CA MET A 42 -4.049 -8.154 1.014 1.00 0.00 C ATOM 661 C MET A 42 -2.757 -7.547 0.476 1.00 0.00 C ATOM 662 O MET A 42 -2.165 -8.048 -0.461 1.00 0.00 O ATOM 663 CB MET A 42 -5.259 -7.510 0.333 1.00 0.00 C ATOM 664 CG MET A 42 -6.550 -8.117 0.884 1.00 0.00 C ATOM 665 SD MET A 42 -7.237 -9.270 -0.329 1.00 0.00 S ATOM 666 CE MET A 42 -7.681 -8.043 -1.585 1.00 0.00 C ATOM 0 H MET A 42 -5.056 -7.342 2.713 1.00 0.00 H new ATOM 0 HA MET A 42 -4.002 -9.228 0.833 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.252 -6.433 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.205 -7.664 -0.745 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.350 -8.635 1.822 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.271 -7.329 1.102 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.525 -8.409 -2.169 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.956 -7.107 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.830 -7.873 -2.244 1.00 0.00 H new ATOM 676 N ILE A 43 -2.316 -6.467 1.056 1.00 0.00 N ATOM 677 CA ILE A 43 -1.068 -5.821 0.568 1.00 0.00 C ATOM 678 C ILE A 43 0.131 -6.258 1.419 1.00 0.00 C ATOM 679 O ILE A 43 1.262 -6.220 0.975 1.00 0.00 O ATOM 680 CB ILE A 43 -1.318 -4.317 0.705 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.314 -3.917 2.180 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.669 -3.946 0.092 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.254 -2.391 2.283 1.00 0.00 C ATOM 0 H ILE A 43 -2.765 -6.004 1.846 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.835 -6.099 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.523 -3.787 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.210 -4.293 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.459 -4.362 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.834 -2.874 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.675 -4.213 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.463 -4.487 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.251 -2.097 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.345 -2.029 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.123 -1.958 1.788 1.00 0.00 H new ATOM 695 N ILE A 44 -0.102 -6.682 2.632 1.00 0.00 N ATOM 696 CA ILE A 44 1.034 -7.120 3.491 1.00 0.00 C ATOM 697 C ILE A 44 1.657 -8.379 2.891 1.00 0.00 C ATOM 698 O ILE A 44 2.861 -8.546 2.885 1.00 0.00 O ATOM 699 CB ILE A 44 0.422 -7.391 4.879 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.403 -6.936 5.962 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.128 -8.883 5.064 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.621 -6.405 7.166 1.00 0.00 C ATOM 0 H ILE A 44 -1.025 -6.744 3.063 1.00 0.00 H new ATOM 0 HA ILE A 44 1.827 -6.375 3.563 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.514 -6.837 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.038 -7.768 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.060 -6.160 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.303 -9.049 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.576 -9.213 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.054 -9.450 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.318 -6.081 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.004 -5.561 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.017 -7.195 7.562 1.00 0.00 H new ATOM 714 N ASN A 45 0.847 -9.262 2.372 1.00 0.00 N ATOM 715 CA ASN A 45 1.413 -10.499 1.760 1.00 0.00 C ATOM 716 C ASN A 45 2.482 -10.120 0.728 1.00 0.00 C ATOM 717 O ASN A 45 3.307 -10.925 0.346 1.00 0.00 O ATOM 718 CB ASN A 45 0.231 -11.191 1.081 1.00 0.00 C ATOM 719 CG ASN A 45 0.695 -12.521 0.484 1.00 0.00 C ATOM 720 OD1 ASN A 45 0.589 -12.736 -0.708 1.00 0.00 O ATOM 721 ND2 ASN A 45 1.211 -13.428 1.267 1.00 0.00 N ATOM 0 H ASN A 45 -0.170 -9.183 2.345 1.00 0.00 H new ATOM 0 HA ASN A 45 1.887 -11.148 2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.568 -11.363 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.178 -10.552 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.526 -14.317 0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.300 -13.248 2.267 1.00 0.00 H new ATOM 728 N ASP A 46 2.466 -8.895 0.274 1.00 0.00 N ATOM 729 CA ASP A 46 3.468 -8.445 -0.735 1.00 0.00 C ATOM 730 C ASP A 46 4.551 -7.594 -0.060 1.00 0.00 C ATOM 731 O ASP A 46 4.278 -6.872 0.878 1.00 0.00 O ATOM 732 CB ASP A 46 2.659 -7.611 -1.728 1.00 0.00 C ATOM 733 CG ASP A 46 3.435 -7.456 -3.036 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.407 -6.719 -3.042 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.043 -8.074 -4.011 1.00 0.00 O ATOM 0 H ASP A 46 1.796 -8.182 0.562 1.00 0.00 H new ATOM 0 HA ASP A 46 3.982 -9.275 -1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.699 -8.090 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.447 -6.630 -1.303 1.00 0.00 H new ATOM 740 N PRO A 47 5.751 -7.712 -0.564 1.00 0.00 N ATOM 741 CA PRO A 47 6.899 -6.948 -0.004 1.00 0.00 C ATOM 742 C PRO A 47 6.672 -5.445 -0.152 1.00 0.00 C ATOM 743 O PRO A 47 7.282 -4.647 0.531 1.00 0.00 O ATOM 744 CB PRO A 47 8.086 -7.420 -0.844 1.00 0.00 C ATOM 745 CG PRO A 47 7.473 -7.932 -2.103 1.00 0.00 C ATOM 746 CD PRO A 47 6.156 -8.539 -1.703 1.00 0.00 C ATOM 0 HA PRO A 47 7.049 -7.117 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.780 -6.604 -1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.650 -8.200 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.329 -7.126 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.116 -8.673 -2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.428 -8.496 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.262 -9.587 -1.424 1.00 0.00 H new ATOM 754 N ARG A 48 5.793 -5.052 -1.027 1.00 0.00 N ATOM 755 CA ARG A 48 5.525 -3.604 -1.203 1.00 0.00 C ATOM 756 C ARG A 48 5.062 -3.000 0.125 1.00 0.00 C ATOM 757 O ARG A 48 5.237 -1.824 0.375 1.00 0.00 O ATOM 758 CB ARG A 48 4.433 -3.548 -2.265 1.00 0.00 C ATOM 759 CG ARG A 48 4.941 -4.253 -3.517 1.00 0.00 C ATOM 760 CD ARG A 48 5.466 -3.221 -4.512 1.00 0.00 C ATOM 761 NE ARG A 48 4.240 -2.617 -5.094 1.00 0.00 N ATOM 762 CZ ARG A 48 4.109 -2.522 -6.388 1.00 0.00 C ATOM 763 NH1 ARG A 48 5.100 -2.081 -7.115 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.988 -2.870 -6.956 1.00 0.00 N ATOM 0 H ARG A 48 5.249 -5.672 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 48 6.403 -3.033 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.525 -4.029 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.176 -2.513 -2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.733 -4.955 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.138 -4.833 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.084 -2.471 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.083 -3.687 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 48 3.500 -2.276 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.977 -1.811 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.997 -2.007 -8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.215 -3.216 -6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.885 -2.796 -7.968 1.00 0.00 H new ATOM 778 N TYR A 49 4.491 -3.797 0.992 1.00 0.00 N ATOM 779 CA TYR A 49 4.046 -3.256 2.308 1.00 0.00 C ATOM 780 C TYR A 49 5.262 -2.713 3.061 1.00 0.00 C ATOM 781 O TYR A 49 5.189 -1.722 3.767 1.00 0.00 O ATOM 782 CB TYR A 49 3.427 -4.442 3.055 1.00 0.00 C ATOM 783 CG TYR A 49 2.556 -3.929 4.180 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.312 -3.357 3.894 1.00 0.00 C ATOM 785 CD2 TYR A 49 2.987 -4.034 5.508 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.498 -2.889 4.933 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.175 -3.565 6.547 1.00 0.00 C ATOM 788 CZ TYR A 49 0.932 -2.994 6.260 1.00 0.00 C ATOM 789 OH TYR A 49 0.133 -2.534 7.285 1.00 0.00 O ATOM 0 H TYR A 49 4.315 -4.791 0.846 1.00 0.00 H new ATOM 0 HA TYR A 49 3.328 -2.442 2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.835 -5.048 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.212 -5.085 3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.979 -3.276 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.946 -4.477 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.463 -2.448 4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.509 -3.644 7.571 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.552 -1.934 6.922 1.00 0.00 H new ATOM 799 N SER A 50 6.395 -3.336 2.885 1.00 0.00 N ATOM 800 CA SER A 50 7.618 -2.842 3.568 1.00 0.00 C ATOM 801 C SER A 50 8.037 -1.523 2.924 1.00 0.00 C ATOM 802 O SER A 50 8.913 -0.831 3.404 1.00 0.00 O ATOM 803 CB SER A 50 8.674 -3.920 3.334 1.00 0.00 C ATOM 804 OG SER A 50 9.514 -4.013 4.477 1.00 0.00 O ATOM 0 H SER A 50 6.524 -4.162 2.300 1.00 0.00 H new ATOM 0 HA SER A 50 7.471 -2.663 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.194 -4.880 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.267 -3.679 2.452 1.00 0.00 H new ATOM 0 HG SER A 50 10.191 -4.706 4.330 1.00 0.00 H new ATOM 810 N ALA A 51 7.389 -1.156 1.850 1.00 0.00 N ATOM 811 CA ALA A 51 7.717 0.127 1.186 1.00 0.00 C ATOM 812 C ALA A 51 7.448 1.272 2.165 1.00 0.00 C ATOM 813 O ALA A 51 7.961 2.363 2.019 1.00 0.00 O ATOM 814 CB ALA A 51 6.774 0.197 -0.017 1.00 0.00 C ATOM 0 H ALA A 51 6.645 -1.695 1.407 1.00 0.00 H new ATOM 0 HA ALA A 51 8.759 0.201 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.952 1.122 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.956 -0.655 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.741 0.174 0.329 1.00 0.00 H new ATOM 820 N LEU A 52 6.654 1.027 3.180 1.00 0.00 N ATOM 821 CA LEU A 52 6.373 2.105 4.176 1.00 0.00 C ATOM 822 C LEU A 52 6.714 1.620 5.585 1.00 0.00 C ATOM 823 O LEU A 52 6.194 0.631 6.059 1.00 0.00 O ATOM 824 CB LEU A 52 4.881 2.403 4.052 1.00 0.00 C ATOM 825 CG LEU A 52 4.640 3.200 2.772 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.167 3.582 2.686 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.493 4.471 2.801 1.00 0.00 C ATOM 0 H LEU A 52 6.193 0.135 3.360 1.00 0.00 H new ATOM 0 HA LEU A 52 6.972 2.997 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.312 1.474 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.536 2.968 4.918 1.00 0.00 H new ATOM 0 HG LEU A 52 4.912 2.596 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.991 4.151 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.557 2.679 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.898 4.190 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.324 5.043 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.216 5.075 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.547 4.201 2.870 1.00 0.00 H new ATOM 839 N ALA A 53 7.593 2.313 6.252 1.00 0.00 N ATOM 840 CA ALA A 53 7.984 1.898 7.631 1.00 0.00 C ATOM 841 C ALA A 53 6.908 2.309 8.639 1.00 0.00 C ATOM 842 O ALA A 53 6.675 1.633 9.622 1.00 0.00 O ATOM 843 CB ALA A 53 9.290 2.640 7.911 1.00 0.00 C ATOM 0 H ALA A 53 8.059 3.150 5.903 1.00 0.00 H new ATOM 0 HA ALA A 53 8.099 0.818 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.645 2.388 8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.039 2.348 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.119 3.715 7.848 1.00 0.00 H new ATOM 849 N LYS A 54 6.256 3.413 8.409 1.00 0.00 N ATOM 850 CA LYS A 54 5.202 3.866 9.359 1.00 0.00 C ATOM 851 C LYS A 54 3.842 3.292 8.959 1.00 0.00 C ATOM 852 O LYS A 54 3.360 3.521 7.868 1.00 0.00 O ATOM 853 CB LYS A 54 5.192 5.390 9.236 1.00 0.00 C ATOM 854 CG LYS A 54 6.283 5.984 10.126 1.00 0.00 C ATOM 855 CD LYS A 54 6.890 7.208 9.440 1.00 0.00 C ATOM 856 CE LYS A 54 7.462 8.156 10.496 1.00 0.00 C ATOM 857 NZ LYS A 54 7.199 9.523 9.969 1.00 0.00 N ATOM 0 H LYS A 54 6.407 4.022 7.605 1.00 0.00 H new ATOM 0 HA LYS A 54 5.398 3.536 10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.356 5.682 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.218 5.782 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.865 6.265 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.056 5.240 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.675 6.899 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.131 7.721 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.981 8.006 11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.529 7.987 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.563 10.230 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.675 9.639 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.175 9.657 9.847 1.00 0.00 H new ATOM 871 N LEU A 55 3.211 2.556 9.833 1.00 0.00 N ATOM 872 CA LEU A 55 1.880 1.989 9.484 1.00 0.00 C ATOM 873 C LEU A 55 0.882 3.126 9.269 1.00 0.00 C ATOM 874 O LEU A 55 0.027 3.059 8.409 1.00 0.00 O ATOM 875 CB LEU A 55 1.470 1.129 10.677 1.00 0.00 C ATOM 876 CG LEU A 55 0.557 0.006 10.188 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.635 0.609 9.443 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.338 -0.906 9.238 1.00 0.00 C ATOM 0 H LEU A 55 3.556 2.325 10.765 1.00 0.00 H new ATOM 0 HA LEU A 55 1.909 1.400 8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.353 0.713 11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.954 1.737 11.420 1.00 0.00 H new ATOM 0 HG LEU A 55 0.201 -0.572 11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.288 -0.191 9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.191 1.263 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.277 1.185 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.688 -1.708 8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.691 -0.326 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.192 -1.334 9.764 1.00 0.00 H new ATOM 890 N SER A 56 0.997 4.181 10.031 1.00 0.00 N ATOM 891 CA SER A 56 0.065 5.326 9.847 1.00 0.00 C ATOM 892 C SER A 56 0.193 5.837 8.412 1.00 0.00 C ATOM 893 O SER A 56 -0.776 6.210 7.782 1.00 0.00 O ATOM 894 CB SER A 56 0.528 6.384 10.849 1.00 0.00 C ATOM 895 OG SER A 56 0.015 6.065 12.136 1.00 0.00 O ATOM 0 H SER A 56 1.692 4.297 10.768 1.00 0.00 H new ATOM 0 HA SER A 56 -0.979 5.061 10.012 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.617 6.423 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.182 7.370 10.541 1.00 0.00 H new ATOM 0 HG SER A 56 0.311 6.740 12.782 1.00 0.00 H new ATOM 901 N GLU A 57 1.388 5.823 7.883 1.00 0.00 N ATOM 902 CA GLU A 57 1.589 6.273 6.483 1.00 0.00 C ATOM 903 C GLU A 57 1.000 5.216 5.543 1.00 0.00 C ATOM 904 O GLU A 57 0.379 5.528 4.546 1.00 0.00 O ATOM 905 CB GLU A 57 3.117 6.423 6.348 1.00 0.00 C ATOM 906 CG GLU A 57 3.677 5.484 5.281 1.00 0.00 C ATOM 907 CD GLU A 57 3.438 6.092 3.897 1.00 0.00 C ATOM 908 OE1 GLU A 57 2.353 5.907 3.369 1.00 0.00 O ATOM 909 OE2 GLU A 57 4.342 6.735 3.390 1.00 0.00 O ATOM 0 H GLU A 57 2.233 5.518 8.365 1.00 0.00 H new ATOM 0 HA GLU A 57 1.095 7.211 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.362 7.454 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.591 6.211 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.743 5.326 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.196 4.508 5.350 1.00 0.00 H new ATOM 916 N LYS A 58 1.170 3.963 5.875 1.00 0.00 N ATOM 917 CA LYS A 58 0.602 2.884 5.025 1.00 0.00 C ATOM 918 C LYS A 58 -0.907 3.082 4.943 1.00 0.00 C ATOM 919 O LYS A 58 -1.534 2.817 3.937 1.00 0.00 O ATOM 920 CB LYS A 58 0.931 1.585 5.760 1.00 0.00 C ATOM 921 CG LYS A 58 2.346 1.135 5.397 1.00 0.00 C ATOM 922 CD LYS A 58 2.519 -0.339 5.768 1.00 0.00 C ATOM 923 CE LYS A 58 3.594 -0.469 6.849 1.00 0.00 C ATOM 924 NZ LYS A 58 4.661 -1.302 6.228 1.00 0.00 N ATOM 0 H LYS A 58 1.679 3.643 6.699 1.00 0.00 H new ATOM 0 HA LYS A 58 1.001 2.878 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.851 1.734 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.212 0.811 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.523 1.277 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.080 1.743 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.575 -0.748 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.802 -0.916 4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.977 0.508 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.196 -0.941 7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.759 -2.191 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.407 -1.513 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.563 -0.784 6.250 1.00 0.00 H new ATOM 938 N LYS A 59 -1.482 3.568 6.004 1.00 0.00 N ATOM 939 CA LYS A 59 -2.948 3.817 6.015 1.00 0.00 C ATOM 940 C LYS A 59 -3.253 5.039 5.149 1.00 0.00 C ATOM 941 O LYS A 59 -4.192 5.052 4.379 1.00 0.00 O ATOM 942 CB LYS A 59 -3.291 4.087 7.480 1.00 0.00 C ATOM 943 CG LYS A 59 -2.932 2.862 8.323 1.00 0.00 C ATOM 944 CD LYS A 59 -2.835 3.264 9.795 1.00 0.00 C ATOM 945 CE LYS A 59 -3.595 2.249 10.652 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.547 2.799 12.035 1.00 0.00 N ATOM 0 H LYS A 59 -0.997 3.805 6.869 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.527 2.983 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.745 4.960 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.353 4.312 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.687 2.087 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.984 2.442 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.790 3.307 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.251 4.261 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.623 2.134 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.130 1.264 10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.048 2.157 12.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.556 2.891 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.003 3.734 12.053 1.00 0.00 H new ATOM 960 N GLN A 60 -2.448 6.062 5.260 1.00 0.00 N ATOM 961 CA GLN A 60 -2.675 7.279 4.432 1.00 0.00 C ATOM 962 C GLN A 60 -2.553 6.909 2.953 1.00 0.00 C ATOM 963 O GLN A 60 -3.306 7.371 2.120 1.00 0.00 O ATOM 964 CB GLN A 60 -1.569 8.253 4.839 1.00 0.00 C ATOM 965 CG GLN A 60 -1.636 8.502 6.349 1.00 0.00 C ATOM 966 CD GLN A 60 -1.930 9.979 6.613 1.00 0.00 C ATOM 967 OE1 GLN A 60 -1.034 10.746 6.905 1.00 0.00 O ATOM 968 NE2 GLN A 60 -3.157 10.415 6.522 1.00 0.00 N ATOM 0 H GLN A 60 -1.645 6.106 5.887 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.663 7.715 4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.594 7.846 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.682 9.193 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.412 7.881 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.693 8.219 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.910 9.772 6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.363 11.399 6.696 1.00 0.00 H new ATOM 977 N ALA A 61 -1.614 6.060 2.627 1.00 0.00 N ATOM 978 CA ALA A 61 -1.449 5.639 1.208 1.00 0.00 C ATOM 979 C ALA A 61 -2.644 4.780 0.792 1.00 0.00 C ATOM 980 O ALA A 61 -3.136 4.875 -0.315 1.00 0.00 O ATOM 981 CB ALA A 61 -0.160 4.816 1.184 1.00 0.00 C ATOM 0 H ALA A 61 -0.955 5.641 3.283 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.398 6.483 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.031 4.468 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.673 5.434 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.264 3.958 1.848 1.00 0.00 H new ATOM 987 N PHE A 62 -3.122 3.950 1.681 1.00 0.00 N ATOM 988 CA PHE A 62 -4.295 3.095 1.346 1.00 0.00 C ATOM 989 C PHE A 62 -5.531 3.976 1.163 1.00 0.00 C ATOM 990 O PHE A 62 -6.284 3.822 0.221 1.00 0.00 O ATOM 991 CB PHE A 62 -4.465 2.170 2.550 1.00 0.00 C ATOM 992 CG PHE A 62 -5.815 1.500 2.486 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.368 1.149 1.249 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.512 1.231 3.667 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.619 0.528 1.193 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.763 0.610 3.613 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.318 0.256 2.377 1.00 0.00 C ATOM 0 H PHE A 62 -2.750 3.828 2.623 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.158 2.532 0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.675 1.419 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.374 2.740 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.828 1.358 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.084 1.503 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.046 0.258 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.302 0.403 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.284 -0.226 2.336 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.733 4.921 2.041 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.905 5.827 1.891 1.00 0.00 C ATOM 1009 C ASN A 63 -6.768 6.573 0.567 1.00 0.00 C ATOM 1010 O ASN A 63 -7.716 6.734 -0.176 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.825 6.796 3.072 1.00 0.00 C ATOM 1012 CG ASN A 63 -8.129 6.736 3.870 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.993 7.577 3.708 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.311 5.772 4.731 1.00 0.00 N ATOM 0 H ASN A 63 -5.140 5.103 2.851 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.859 5.300 1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.982 6.537 3.712 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.652 7.811 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.177 5.724 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.587 5.067 4.867 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.577 7.004 0.261 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.345 7.715 -1.024 1.00 0.00 C ATOM 1023 C ALA A 64 -5.583 6.741 -2.179 1.00 0.00 C ATOM 1024 O ALA A 64 -6.066 7.110 -3.232 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.882 8.157 -0.978 1.00 0.00 C ATOM 0 H ALA A 64 -4.751 6.893 0.849 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.010 8.567 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.634 8.691 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.727 8.815 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.240 7.281 -0.883 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.254 5.490 -1.981 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.468 4.484 -3.058 1.00 0.00 C ATOM 1033 C TYR A 65 -6.961 4.394 -3.377 1.00 0.00 C ATOM 1034 O TYR A 65 -7.360 4.361 -4.524 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.960 3.162 -2.474 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.542 2.008 -3.254 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -4.866 1.516 -4.378 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.757 1.431 -2.857 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.403 0.448 -5.106 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.293 0.361 -3.587 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.616 -0.130 -4.710 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.145 -1.184 -5.428 1.00 0.00 O ATOM 0 H TYR A 65 -4.847 5.124 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.951 4.738 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.871 3.129 -2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.242 3.084 -1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.930 1.961 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.279 1.810 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.882 0.070 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.229 -0.085 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.121 -1.183 -5.339 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.788 4.367 -2.369 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.252 4.296 -2.617 1.00 0.00 C ATOM 1054 C LYS A 66 -9.722 5.599 -3.264 1.00 0.00 C ATOM 1055 O LYS A 66 -10.572 5.606 -4.131 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.883 4.125 -1.237 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.277 2.910 -0.534 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.172 2.509 0.640 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.409 3.725 1.540 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.566 3.349 2.399 1.00 0.00 N ATOM 0 H LYS A 66 -7.513 4.391 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.525 3.481 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.719 5.021 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.961 4.000 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.182 2.080 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.274 3.144 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.123 2.125 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.704 1.707 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.528 3.949 2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.628 4.616 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.789 4.134 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.392 3.148 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.326 2.502 2.953 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.164 6.705 -2.847 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.567 8.014 -3.436 1.00 0.00 C ATOM 1076 C VAL A 67 -9.176 8.064 -4.914 1.00 0.00 C ATOM 1077 O VAL A 67 -9.799 8.736 -5.710 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.787 9.058 -2.638 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -8.945 10.428 -3.297 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.328 9.114 -1.207 1.00 0.00 C ATOM 0 H VAL A 67 -8.447 6.758 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.643 8.182 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.732 8.786 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.388 11.172 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.560 10.388 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.000 10.702 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.772 9.858 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.383 9.386 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.214 8.137 -0.736 1.00 0.00 H new