USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 483 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 180:sc= -0.0171 USER MOD Set 1.2: A 38 GLN : amide:sc= 0 X(o=-0.017,f=-0.017) USER MOD Set 2.1: A 12 ASN : amide:sc= -0.533 K(o=-1.1,f=-4.4!) USER MOD Set 2.2: A 13 THR OG1 : rot -88:sc= -0.537 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0.617! (180deg=0.549!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.737 K(o=-0.74,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= -1.05 (180deg=-4.27!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 33 ASN : amide:sc= -0.914 K(o=-0.91,f=-3.4!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= -0.157 (180deg=-0.913) USER MOD Single : A 42 MET CE :methyl -146:sc= -1.06 (180deg=-2.43!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 49 TYR OH : rot -21:sc= -3.87! USER MOD Single : A 50 SER OG : rot -59:sc= 1.08 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.579) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= 0.533 (180deg=-1.58!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0883 K(o=-0.088,f=-2.5!) USER MOD Single : A 63 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.92) USER MOD Single : A 65 TYR OH : rot -148:sc= 0.293 USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= 0.625 (180deg=0.371) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.322 0.468 -1.353 1.00 0.00 N ATOM 138 CA TRP A 11 12.866 1.865 -1.621 1.00 0.00 C ATOM 139 C TRP A 11 13.853 2.865 -1.013 1.00 0.00 C ATOM 140 O TRP A 11 14.378 2.660 0.062 1.00 0.00 O ATOM 141 CB TRP A 11 11.493 1.976 -0.952 1.00 0.00 C ATOM 142 CG TRP A 11 10.464 1.410 -1.869 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.857 2.090 -2.864 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.919 0.062 -1.900 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.972 1.245 -3.504 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.976 -0.017 -2.948 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.152 -1.088 -1.129 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.286 -1.197 -3.220 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.460 -2.276 -1.402 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.529 -2.329 -2.445 1.00 0.00 C ATOM 0 HA TRP A 11 12.810 2.085 -2.687 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.491 1.438 -0.004 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.266 3.018 -0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.034 3.125 -3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.386 1.521 -4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.868 -1.057 -0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.568 -1.234 -4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.647 -3.156 -0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.999 -3.247 -2.649 1.00 0.00 H new ATOM 161 N ASN A 12 14.116 3.945 -1.700 1.00 0.00 N ATOM 162 CA ASN A 12 15.077 4.954 -1.167 1.00 0.00 C ATOM 163 C ASN A 12 14.399 6.321 -1.030 1.00 0.00 C ATOM 164 O ASN A 12 14.994 7.274 -0.568 1.00 0.00 O ATOM 165 CB ASN A 12 16.198 5.015 -2.204 1.00 0.00 C ATOM 166 CG ASN A 12 15.604 5.314 -3.582 1.00 0.00 C ATOM 167 OD1 ASN A 12 15.335 6.454 -3.905 1.00 0.00 O ATOM 168 ND2 ASN A 12 15.384 4.331 -4.413 1.00 0.00 N ATOM 0 H ASN A 12 13.707 4.172 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 12 15.446 4.686 -0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.918 5.787 -1.932 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.738 4.069 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.986 4.520 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.610 3.374 -4.142 1.00 0.00 H new ATOM 175 N THR A 13 13.163 6.426 -1.431 1.00 0.00 N ATOM 176 CA THR A 13 12.458 7.735 -1.322 1.00 0.00 C ATOM 177 C THR A 13 11.026 7.523 -0.825 1.00 0.00 C ATOM 178 O THR A 13 10.426 6.491 -1.050 1.00 0.00 O ATOM 179 CB THR A 13 12.459 8.302 -2.743 1.00 0.00 C ATOM 180 OG1 THR A 13 12.349 7.236 -3.676 1.00 0.00 O ATOM 181 CG2 THR A 13 13.761 9.067 -2.988 1.00 0.00 C ATOM 0 H THR A 13 12.611 5.665 -1.828 1.00 0.00 H new ATOM 0 HA THR A 13 12.941 8.410 -0.615 1.00 0.00 H new ATOM 0 HB THR A 13 11.615 8.980 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.243 6.901 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.761 9.471 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.843 9.884 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.608 8.392 -2.867 1.00 0.00 H new ATOM 189 N LYS A 14 10.476 8.492 -0.146 1.00 0.00 N ATOM 190 CA LYS A 14 9.084 8.348 0.371 1.00 0.00 C ATOM 191 C LYS A 14 8.085 8.306 -0.790 1.00 0.00 C ATOM 192 O LYS A 14 7.052 7.671 -0.708 1.00 0.00 O ATOM 193 CB LYS A 14 8.852 9.590 1.233 1.00 0.00 C ATOM 194 CG LYS A 14 7.700 9.331 2.206 1.00 0.00 C ATOM 195 CD LYS A 14 8.259 8.879 3.557 1.00 0.00 C ATOM 196 CE LYS A 14 7.530 7.612 4.012 1.00 0.00 C ATOM 197 NZ LYS A 14 7.859 7.476 5.459 1.00 0.00 N ATOM 0 H LYS A 14 10.930 9.378 0.074 1.00 0.00 H new ATOM 0 HA LYS A 14 8.949 7.426 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.759 9.837 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.621 10.447 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.106 10.237 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.035 8.567 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.329 8.686 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.134 9.669 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.454 7.699 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.863 6.741 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.328 6.678 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.879 7.304 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.601 8.351 5.958 1.00 0.00 H new ATOM 211 N GLU A 15 8.380 8.979 -1.869 1.00 0.00 N ATOM 212 CA GLU A 15 7.441 8.974 -3.029 1.00 0.00 C ATOM 213 C GLU A 15 7.396 7.587 -3.668 1.00 0.00 C ATOM 214 O GLU A 15 6.339 7.044 -3.925 1.00 0.00 O ATOM 215 CB GLU A 15 8.019 9.997 -4.008 1.00 0.00 C ATOM 216 CG GLU A 15 7.294 9.894 -5.354 1.00 0.00 C ATOM 217 CD GLU A 15 5.977 10.668 -5.284 1.00 0.00 C ATOM 218 OE1 GLU A 15 5.294 10.547 -4.280 1.00 0.00 O ATOM 219 OE2 GLU A 15 5.674 11.370 -6.235 1.00 0.00 O ATOM 0 H GLU A 15 9.228 9.531 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 15 6.420 9.220 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.911 11.003 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.086 9.821 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.922 10.295 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.102 8.849 -5.597 1.00 0.00 H new ATOM 226 N GLU A 16 8.533 7.014 -3.929 1.00 0.00 N ATOM 227 CA GLU A 16 8.558 5.662 -4.557 1.00 0.00 C ATOM 228 C GLU A 16 7.992 4.625 -3.589 1.00 0.00 C ATOM 229 O GLU A 16 7.292 3.712 -3.980 1.00 0.00 O ATOM 230 CB GLU A 16 10.035 5.385 -4.845 1.00 0.00 C ATOM 231 CG GLU A 16 10.548 6.377 -5.891 1.00 0.00 C ATOM 232 CD GLU A 16 11.744 5.769 -6.626 1.00 0.00 C ATOM 233 OE1 GLU A 16 12.122 4.660 -6.285 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.261 6.421 -7.518 1.00 0.00 O ATOM 0 H GLU A 16 9.448 7.421 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 16 7.954 5.613 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.618 5.474 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.161 4.364 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.755 6.617 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.839 7.311 -5.410 1.00 0.00 H new ATOM 241 N ALA A 17 8.285 4.763 -2.327 1.00 0.00 N ATOM 242 CA ALA A 17 7.757 3.789 -1.331 1.00 0.00 C ATOM 243 C ALA A 17 6.236 3.935 -1.225 1.00 0.00 C ATOM 244 O ALA A 17 5.498 2.966 -1.270 1.00 0.00 O ATOM 245 CB ALA A 17 8.427 4.173 -0.013 1.00 0.00 C ATOM 0 H ALA A 17 8.867 5.507 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 17 7.964 2.754 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.090 3.501 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.509 4.095 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.161 5.198 0.245 1.00 0.00 H new ATOM 251 N LYS A 18 5.761 5.145 -1.100 1.00 0.00 N ATOM 252 CA LYS A 18 4.290 5.360 -1.008 1.00 0.00 C ATOM 253 C LYS A 18 3.634 4.931 -2.317 1.00 0.00 C ATOM 254 O LYS A 18 2.547 4.390 -2.334 1.00 0.00 O ATOM 255 CB LYS A 18 4.117 6.864 -0.795 1.00 0.00 C ATOM 256 CG LYS A 18 2.852 7.126 0.026 1.00 0.00 C ATOM 257 CD LYS A 18 2.515 8.618 -0.023 1.00 0.00 C ATOM 258 CE LYS A 18 1.188 8.824 -0.757 1.00 0.00 C ATOM 259 NZ LYS A 18 1.573 9.196 -2.148 1.00 0.00 N ATOM 0 H LYS A 18 6.328 5.992 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 18 3.832 4.785 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.987 7.271 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.050 7.372 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.021 6.541 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.003 6.810 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.448 9.019 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.311 9.164 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.584 7.917 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.595 9.609 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.716 9.354 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.141 10.067 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.131 8.427 -2.571 1.00 0.00 H new ATOM 273 N GLN A 19 4.294 5.168 -3.418 1.00 0.00 N ATOM 274 CA GLN A 19 3.714 4.771 -4.728 1.00 0.00 C ATOM 275 C GLN A 19 3.587 3.250 -4.801 1.00 0.00 C ATOM 276 O GLN A 19 2.598 2.726 -5.269 1.00 0.00 O ATOM 277 CB GLN A 19 4.698 5.284 -5.777 1.00 0.00 C ATOM 278 CG GLN A 19 3.993 5.364 -7.132 1.00 0.00 C ATOM 279 CD GLN A 19 4.324 4.116 -7.950 1.00 0.00 C ATOM 280 OE1 GLN A 19 3.452 3.519 -8.548 1.00 0.00 O ATOM 281 NE2 GLN A 19 5.557 3.698 -8.003 1.00 0.00 N ATOM 0 H GLN A 19 5.208 5.619 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 19 2.716 5.182 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.074 6.266 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.559 4.619 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.915 5.444 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.311 6.258 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.288 4.201 -7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.791 2.868 -8.548 1.00 0.00 H new ATOM 290 N ALA A 20 4.573 2.531 -4.331 1.00 0.00 N ATOM 291 CA ALA A 20 4.476 1.044 -4.372 1.00 0.00 C ATOM 292 C ALA A 20 3.370 0.583 -3.427 1.00 0.00 C ATOM 293 O ALA A 20 2.703 -0.400 -3.672 1.00 0.00 O ATOM 294 CB ALA A 20 5.833 0.519 -3.910 1.00 0.00 C ATOM 0 H ALA A 20 5.431 2.905 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 20 4.235 0.675 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.824 -0.571 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.611 0.881 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.034 0.872 -2.899 1.00 0.00 H new ATOM 300 N PHE A 21 3.166 1.289 -2.350 1.00 0.00 N ATOM 301 CA PHE A 21 2.091 0.888 -1.399 1.00 0.00 C ATOM 302 C PHE A 21 0.726 1.072 -2.073 1.00 0.00 C ATOM 303 O PHE A 21 -0.132 0.207 -2.021 1.00 0.00 O ATOM 304 CB PHE A 21 2.241 1.835 -0.209 1.00 0.00 C ATOM 305 CG PHE A 21 1.812 1.127 1.054 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.649 0.163 1.627 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.585 1.436 1.650 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.257 -0.494 2.799 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.194 0.780 2.824 1.00 0.00 C ATOM 310 CZ PHE A 21 1.032 -0.185 3.397 1.00 0.00 C ATOM 0 H PHE A 21 3.693 2.122 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 21 2.164 -0.155 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.276 2.164 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.635 2.728 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.596 -0.074 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.060 2.179 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.901 -1.240 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.752 1.018 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.731 -0.691 4.302 1.00 0.00 H new ATOM 320 N LYS A 22 0.526 2.182 -2.734 1.00 0.00 N ATOM 321 CA LYS A 22 -0.768 2.402 -3.430 1.00 0.00 C ATOM 322 C LYS A 22 -0.831 1.463 -4.641 1.00 0.00 C ATOM 323 O LYS A 22 -1.816 0.790 -4.872 1.00 0.00 O ATOM 324 CB LYS A 22 -0.755 3.892 -3.821 1.00 0.00 C ATOM 325 CG LYS A 22 -0.773 4.071 -5.342 1.00 0.00 C ATOM 326 CD LYS A 22 -0.802 5.563 -5.674 1.00 0.00 C ATOM 327 CE LYS A 22 -2.142 5.920 -6.326 1.00 0.00 C ATOM 328 NZ LYS A 22 -2.953 6.524 -5.233 1.00 0.00 N ATOM 0 H LYS A 22 1.202 2.941 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.649 2.185 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.619 4.392 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.133 4.371 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.107 3.605 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.645 3.575 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.660 6.150 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.019 5.812 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.006 6.621 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.629 5.036 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.887 6.795 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.072 5.832 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.468 7.368 -4.866 1.00 0.00 H new ATOM 342 N GLU A 23 0.235 1.390 -5.393 1.00 0.00 N ATOM 343 CA GLU A 23 0.254 0.469 -6.561 1.00 0.00 C ATOM 344 C GLU A 23 0.035 -0.954 -6.051 1.00 0.00 C ATOM 345 O GLU A 23 -0.562 -1.783 -6.709 1.00 0.00 O ATOM 346 CB GLU A 23 1.646 0.621 -7.178 1.00 0.00 C ATOM 347 CG GLU A 23 1.633 0.067 -8.605 1.00 0.00 C ATOM 348 CD GLU A 23 2.836 0.613 -9.378 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.917 0.636 -8.812 1.00 0.00 O ATOM 350 OE2 GLU A 23 2.655 0.998 -10.521 1.00 0.00 O ATOM 0 H GLU A 23 1.090 1.927 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.520 0.688 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.939 1.671 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.383 0.089 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.666 -1.022 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.707 0.348 -9.107 1.00 0.00 H new ATOM 357 N LEU A 24 0.497 -1.230 -4.859 1.00 0.00 N ATOM 358 CA LEU A 24 0.296 -2.583 -4.276 1.00 0.00 C ATOM 359 C LEU A 24 -1.203 -2.817 -4.114 1.00 0.00 C ATOM 360 O LEU A 24 -1.729 -3.840 -4.501 1.00 0.00 O ATOM 361 CB LEU A 24 0.992 -2.538 -2.912 1.00 0.00 C ATOM 362 CG LEU A 24 0.744 -3.845 -2.159 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.992 -5.031 -3.091 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.697 -3.929 -0.960 1.00 0.00 C ATOM 0 H LEU A 24 1.005 -0.574 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 24 0.698 -3.386 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.063 -2.382 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.617 -1.696 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.288 -3.872 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.814 -5.961 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.316 -4.971 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.023 -5.007 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.522 -4.860 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.728 -3.901 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.519 -3.085 -0.294 1.00 0.00 H new ATOM 376 N LEU A 25 -1.898 -1.859 -3.561 1.00 0.00 N ATOM 377 CA LEU A 25 -3.370 -2.014 -3.396 1.00 0.00 C ATOM 378 C LEU A 25 -4.022 -2.228 -4.764 1.00 0.00 C ATOM 379 O LEU A 25 -4.960 -2.990 -4.903 1.00 0.00 O ATOM 380 CB LEU A 25 -3.844 -0.698 -2.782 1.00 0.00 C ATOM 381 CG LEU A 25 -3.804 -0.796 -1.260 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.870 0.278 -0.702 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.214 -0.581 -0.707 1.00 0.00 C ATOM 0 H LEU A 25 -1.511 -0.980 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.631 -2.869 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.209 0.121 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.858 -0.475 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.439 -1.780 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.842 0.207 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.866 0.130 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.234 1.263 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.193 -0.650 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.574 0.405 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.882 -1.345 -1.106 1.00 0.00 H new ATOM 395 N LYS A 26 -3.526 -1.568 -5.780 1.00 0.00 N ATOM 396 CA LYS A 26 -4.115 -1.749 -7.140 1.00 0.00 C ATOM 397 C LYS A 26 -3.933 -3.201 -7.581 1.00 0.00 C ATOM 398 O LYS A 26 -4.845 -3.827 -8.081 1.00 0.00 O ATOM 399 CB LYS A 26 -3.333 -0.799 -8.049 1.00 0.00 C ATOM 400 CG LYS A 26 -4.245 -0.302 -9.174 1.00 0.00 C ATOM 401 CD LYS A 26 -3.402 0.025 -10.409 1.00 0.00 C ATOM 402 CE LYS A 26 -4.027 -0.629 -11.644 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.682 0.489 -12.381 1.00 0.00 N ATOM 0 H LYS A 26 -2.744 -0.916 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.183 -1.532 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.956 0.046 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.467 -1.311 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.987 -1.063 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.792 0.583 -8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.344 1.105 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.382 -0.334 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.270 -1.117 -12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.751 -1.394 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.134 0.120 -13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.402 0.930 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.968 1.198 -12.642 1.00 0.00 H new ATOM 417 N GLU A 27 -2.766 -3.749 -7.374 1.00 0.00 N ATOM 418 CA GLU A 27 -2.539 -5.170 -7.757 1.00 0.00 C ATOM 419 C GLU A 27 -3.427 -6.061 -6.890 1.00 0.00 C ATOM 420 O GLU A 27 -3.876 -7.111 -7.306 1.00 0.00 O ATOM 421 CB GLU A 27 -1.060 -5.435 -7.467 1.00 0.00 C ATOM 422 CG GLU A 27 -0.651 -6.774 -8.086 1.00 0.00 C ATOM 423 CD GLU A 27 0.656 -7.252 -7.450 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.122 -6.595 -6.533 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.167 -8.268 -7.890 1.00 0.00 O ATOM 0 H GLU A 27 -1.964 -3.276 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.779 -5.374 -8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.448 -4.631 -7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.887 -5.451 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.436 -7.514 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.525 -6.666 -9.163 1.00 0.00 H new ATOM 432 N LYS A 28 -3.694 -5.630 -5.687 1.00 0.00 N ATOM 433 CA LYS A 28 -4.567 -6.425 -4.778 1.00 0.00 C ATOM 434 C LYS A 28 -6.038 -6.142 -5.095 1.00 0.00 C ATOM 435 O LYS A 28 -6.934 -6.706 -4.500 1.00 0.00 O ATOM 436 CB LYS A 28 -4.218 -5.936 -3.371 1.00 0.00 C ATOM 437 CG LYS A 28 -3.094 -6.797 -2.794 1.00 0.00 C ATOM 438 CD LYS A 28 -1.763 -6.413 -3.445 1.00 0.00 C ATOM 439 CE LYS A 28 -0.928 -7.671 -3.709 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.136 -8.545 -2.520 1.00 0.00 N ATOM 0 H LYS A 28 -3.343 -4.757 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.415 -7.499 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.909 -4.891 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.097 -5.988 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.035 -6.659 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.305 -7.852 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.945 -5.884 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.214 -5.731 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.249 -8.170 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.126 -7.423 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.281 -9.112 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.330 -7.955 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.943 -9.178 -2.692 1.00 0.00 H new ATOM 454 N ARG A 29 -6.288 -5.272 -6.036 1.00 0.00 N ATOM 455 CA ARG A 29 -7.692 -4.945 -6.405 1.00 0.00 C ATOM 456 C ARG A 29 -8.493 -4.522 -5.170 1.00 0.00 C ATOM 457 O ARG A 29 -9.637 -4.898 -5.005 1.00 0.00 O ATOM 458 CB ARG A 29 -8.254 -6.235 -6.997 1.00 0.00 C ATOM 459 CG ARG A 29 -7.721 -6.418 -8.420 1.00 0.00 C ATOM 460 CD ARG A 29 -8.639 -5.694 -9.409 1.00 0.00 C ATOM 461 NE ARG A 29 -8.688 -6.577 -10.608 1.00 0.00 N ATOM 462 CZ ARG A 29 -9.502 -6.300 -11.589 1.00 0.00 C ATOM 463 NH1 ARG A 29 -10.652 -6.912 -11.675 1.00 0.00 N ATOM 464 NH2 ARG A 29 -9.166 -5.413 -12.485 1.00 0.00 N ATOM 0 H ARG A 29 -5.575 -4.772 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.747 -4.114 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.969 -7.086 -6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.343 -6.199 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.708 -6.023 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.669 -7.479 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.633 -5.545 -8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.248 -4.708 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.085 -7.398 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.914 -7.606 -10.975 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.289 -6.696 -12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.267 -4.936 -12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.803 -5.196 -13.252 1.00 0.00 H new ATOM 478 N VAL A 30 -7.910 -3.735 -4.303 1.00 0.00 N ATOM 479 CA VAL A 30 -8.659 -3.288 -3.093 1.00 0.00 C ATOM 480 C VAL A 30 -9.763 -2.309 -3.504 1.00 0.00 C ATOM 481 O VAL A 30 -9.544 -1.443 -4.326 1.00 0.00 O ATOM 482 CB VAL A 30 -7.625 -2.585 -2.211 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.322 -1.981 -0.992 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.573 -3.591 -1.741 1.00 0.00 C ATOM 0 H VAL A 30 -6.955 -3.385 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.134 -4.118 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.140 -1.797 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.586 -1.480 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.070 -1.259 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.808 -2.772 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.840 -3.084 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.056 -4.382 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.072 -4.025 -2.606 1.00 0.00 H new ATOM 494 N PRO A 31 -10.916 -2.479 -2.920 1.00 0.00 N ATOM 495 CA PRO A 31 -12.062 -1.594 -3.240 1.00 0.00 C ATOM 496 C PRO A 31 -11.847 -0.204 -2.639 1.00 0.00 C ATOM 497 O PRO A 31 -11.014 -0.011 -1.776 1.00 0.00 O ATOM 498 CB PRO A 31 -13.248 -2.292 -2.581 1.00 0.00 C ATOM 499 CG PRO A 31 -12.650 -3.101 -1.477 1.00 0.00 C ATOM 500 CD PRO A 31 -11.263 -3.494 -1.920 1.00 0.00 C ATOM 0 HA PRO A 31 -12.202 -1.444 -4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.968 -1.570 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.779 -2.925 -3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.611 -2.524 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.255 -3.985 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.561 -3.491 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.248 -4.497 -2.346 1.00 0.00 H new ATOM 508 N SER A 32 -12.592 0.766 -3.090 1.00 0.00 N ATOM 509 CA SER A 32 -12.433 2.145 -2.549 1.00 0.00 C ATOM 510 C SER A 32 -13.003 2.228 -1.129 1.00 0.00 C ATOM 511 O SER A 32 -12.846 3.221 -0.446 1.00 0.00 O ATOM 512 CB SER A 32 -13.232 3.036 -3.498 1.00 0.00 C ATOM 513 OG SER A 32 -14.544 2.506 -3.648 1.00 0.00 O ATOM 0 H SER A 32 -13.306 0.663 -3.811 1.00 0.00 H new ATOM 0 HA SER A 32 -11.387 2.446 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.280 4.052 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.737 3.091 -4.467 1.00 0.00 H new ATOM 0 HG SER A 32 -15.060 3.077 -4.255 1.00 0.00 H new ATOM 519 N ASN A 33 -13.666 1.196 -0.682 1.00 0.00 N ATOM 520 CA ASN A 33 -14.247 1.228 0.692 1.00 0.00 C ATOM 521 C ASN A 33 -13.655 0.107 1.550 1.00 0.00 C ATOM 522 O ASN A 33 -14.206 -0.265 2.566 1.00 0.00 O ATOM 523 CB ASN A 33 -15.747 1.010 0.493 1.00 0.00 C ATOM 524 CG ASN A 33 -15.998 -0.429 0.038 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.739 -0.772 -1.099 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.496 -1.290 0.882 1.00 0.00 N ATOM 0 H ASN A 33 -13.830 0.336 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.033 2.166 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.280 1.207 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.132 1.710 -0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.668 -2.251 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.713 -1.002 1.836 1.00 0.00 H new ATOM 533 N ALA A 34 -12.537 -0.435 1.151 1.00 0.00 N ATOM 534 CA ALA A 34 -11.918 -1.530 1.953 1.00 0.00 C ATOM 535 C ALA A 34 -11.454 -0.998 3.309 1.00 0.00 C ATOM 536 O ALA A 34 -11.102 0.155 3.448 1.00 0.00 O ATOM 537 CB ALA A 34 -10.713 -1.999 1.134 1.00 0.00 C ATOM 0 H ALA A 34 -12.027 -0.169 0.309 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.623 -2.339 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.206 -2.806 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.051 -2.358 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.023 -1.167 0.994 1.00 0.00 H new ATOM 543 N SER A 35 -11.434 -1.838 4.306 1.00 0.00 N ATOM 544 CA SER A 35 -10.967 -1.386 5.646 1.00 0.00 C ATOM 545 C SER A 35 -9.452 -1.560 5.722 1.00 0.00 C ATOM 546 O SER A 35 -8.890 -2.396 5.042 1.00 0.00 O ATOM 547 CB SER A 35 -11.663 -2.307 6.645 1.00 0.00 C ATOM 548 OG SER A 35 -11.065 -3.596 6.586 1.00 0.00 O ATOM 0 H SER A 35 -11.720 -2.816 4.251 1.00 0.00 H new ATOM 0 HA SER A 35 -11.195 -0.339 5.847 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.580 -1.900 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.726 -2.375 6.416 1.00 0.00 H new ATOM 0 HG SER A 35 -11.507 -4.191 7.227 1.00 0.00 H new ATOM 554 N TRP A 36 -8.775 -0.791 6.526 1.00 0.00 N ATOM 555 CA TRP A 36 -7.298 -0.959 6.594 1.00 0.00 C ATOM 556 C TRP A 36 -6.960 -2.433 6.814 1.00 0.00 C ATOM 557 O TRP A 36 -5.955 -2.920 6.351 1.00 0.00 O ATOM 558 CB TRP A 36 -6.813 -0.127 7.778 1.00 0.00 C ATOM 559 CG TRP A 36 -5.364 -0.426 7.989 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.786 -0.709 9.180 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.302 -0.494 6.993 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.438 -0.949 8.976 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.091 -0.827 7.643 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.276 -0.301 5.599 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.895 -0.965 6.933 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.077 -0.438 4.885 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.889 -0.770 5.550 1.00 0.00 C ATOM 0 H TRP A 36 -9.169 -0.068 7.128 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.819 -0.635 5.670 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.958 0.935 7.582 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.386 -0.368 8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.293 -0.742 10.133 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.781 -1.187 9.719 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.186 -0.046 5.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.982 -1.221 7.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.069 -0.287 3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.969 -0.875 4.993 1.00 0.00 H new ATOM 578 N GLU A 37 -7.791 -3.146 7.520 1.00 0.00 N ATOM 579 CA GLU A 37 -7.505 -4.589 7.766 1.00 0.00 C ATOM 580 C GLU A 37 -7.545 -5.371 6.450 1.00 0.00 C ATOM 581 O GLU A 37 -6.655 -6.145 6.151 1.00 0.00 O ATOM 582 CB GLU A 37 -8.615 -5.058 8.708 1.00 0.00 C ATOM 583 CG GLU A 37 -8.630 -4.168 9.953 1.00 0.00 C ATOM 584 CD GLU A 37 -9.415 -4.860 11.069 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.441 -5.448 10.769 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.976 -4.791 12.206 1.00 0.00 O ATOM 0 H GLU A 37 -8.653 -2.795 7.937 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.515 -4.747 8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.580 -5.013 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.452 -6.098 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.610 -3.968 10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.084 -3.205 9.719 1.00 0.00 H new ATOM 593 N GLN A 38 -8.565 -5.179 5.657 1.00 0.00 N ATOM 594 CA GLN A 38 -8.649 -5.920 4.364 1.00 0.00 C ATOM 595 C GLN A 38 -7.581 -5.422 3.387 1.00 0.00 C ATOM 596 O GLN A 38 -6.890 -6.199 2.753 1.00 0.00 O ATOM 597 CB GLN A 38 -10.048 -5.613 3.826 1.00 0.00 C ATOM 598 CG GLN A 38 -11.096 -6.306 4.697 1.00 0.00 C ATOM 599 CD GLN A 38 -12.444 -6.306 3.973 1.00 0.00 C ATOM 600 OE1 GLN A 38 -13.300 -5.491 4.256 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.672 -7.194 3.043 1.00 0.00 N ATOM 0 H GLN A 38 -9.341 -4.544 5.847 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.481 -6.989 4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.219 -4.536 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.135 -5.954 2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.787 -7.329 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.186 -5.793 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.954 -7.879 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.568 -7.203 2.555 1.00 0.00 H new ATOM 610 N ALA A 39 -7.438 -4.132 3.259 1.00 0.00 N ATOM 611 CA ALA A 39 -6.423 -3.581 2.318 1.00 0.00 C ATOM 612 C ALA A 39 -5.004 -3.837 2.835 1.00 0.00 C ATOM 613 O ALA A 39 -4.087 -4.040 2.065 1.00 0.00 O ATOM 614 CB ALA A 39 -6.709 -2.080 2.268 1.00 0.00 C ATOM 0 H ALA A 39 -7.982 -3.434 3.767 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.484 -4.048 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.002 -1.597 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.724 -1.915 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.605 -1.656 3.267 1.00 0.00 H new ATOM 620 N MET A 40 -4.814 -3.816 4.126 1.00 0.00 N ATOM 621 CA MET A 40 -3.446 -4.043 4.680 1.00 0.00 C ATOM 622 C MET A 40 -3.021 -5.503 4.515 1.00 0.00 C ATOM 623 O MET A 40 -1.939 -5.785 4.049 1.00 0.00 O ATOM 624 CB MET A 40 -3.549 -3.694 6.163 1.00 0.00 C ATOM 625 CG MET A 40 -2.237 -4.050 6.863 1.00 0.00 C ATOM 626 SD MET A 40 -2.377 -3.679 8.628 1.00 0.00 S ATOM 627 CE MET A 40 -2.248 -5.381 9.230 1.00 0.00 C ATOM 0 H MET A 40 -5.543 -3.652 4.820 1.00 0.00 H new ATOM 0 HA MET A 40 -2.702 -3.438 4.161 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.761 -2.632 6.284 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.376 -4.238 6.619 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.010 -5.106 6.719 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.414 -3.485 6.426 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.312 -5.388 10.318 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.061 -5.976 8.815 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.293 -5.805 8.920 1.00 0.00 H new ATOM 637 N LYS A 41 -3.851 -6.435 4.893 1.00 0.00 N ATOM 638 CA LYS A 41 -3.452 -7.863 4.744 1.00 0.00 C ATOM 639 C LYS A 41 -3.339 -8.215 3.258 1.00 0.00 C ATOM 640 O LYS A 41 -2.399 -8.866 2.828 1.00 0.00 O ATOM 641 CB LYS A 41 -4.561 -8.671 5.428 1.00 0.00 C ATOM 642 CG LYS A 41 -5.769 -8.815 4.496 1.00 0.00 C ATOM 643 CD LYS A 41 -6.806 -9.732 5.146 1.00 0.00 C ATOM 644 CE LYS A 41 -7.213 -9.164 6.508 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.689 -8.984 6.423 1.00 0.00 N ATOM 0 H LYS A 41 -4.775 -6.274 5.293 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.482 -8.076 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.185 -9.657 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.863 -8.177 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.207 -7.837 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.455 -9.226 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.681 -9.822 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.395 -10.734 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.944 -9.844 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.710 -8.218 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.969 -8.147 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.966 -8.853 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.164 -9.826 6.807 1.00 0.00 H new ATOM 659 N MET A 42 -4.282 -7.776 2.466 1.00 0.00 N ATOM 660 CA MET A 42 -4.226 -8.075 1.010 1.00 0.00 C ATOM 661 C MET A 42 -2.918 -7.549 0.420 1.00 0.00 C ATOM 662 O MET A 42 -2.334 -8.154 -0.454 1.00 0.00 O ATOM 663 CB MET A 42 -5.420 -7.334 0.405 1.00 0.00 C ATOM 664 CG MET A 42 -6.718 -8.038 0.803 1.00 0.00 C ATOM 665 SD MET A 42 -7.315 -9.033 -0.585 1.00 0.00 S ATOM 666 CE MET A 42 -7.599 -7.666 -1.736 1.00 0.00 C ATOM 0 H MET A 42 -5.086 -7.225 2.766 1.00 0.00 H new ATOM 0 HA MET A 42 -4.265 -9.145 0.805 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.434 -6.301 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.329 -7.304 -0.681 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.548 -8.673 1.673 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.471 -7.303 1.087 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.461 -7.892 -2.364 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.789 -6.751 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.718 -7.530 -2.364 1.00 0.00 H new ATOM 676 N ILE A 43 -2.455 -6.421 0.891 1.00 0.00 N ATOM 677 CA ILE A 43 -1.186 -5.857 0.349 1.00 0.00 C ATOM 678 C ILE A 43 0.020 -6.397 1.122 1.00 0.00 C ATOM 679 O ILE A 43 1.122 -6.437 0.612 1.00 0.00 O ATOM 680 CB ILE A 43 -1.302 -4.345 0.531 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.233 -4.001 2.020 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.630 -3.856 -0.050 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.180 -2.482 2.187 1.00 0.00 C ATOM 0 H ILE A 43 -2.899 -5.869 1.624 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.039 -6.131 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.480 -3.855 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.102 -4.405 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.352 -4.459 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.709 -2.777 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.673 -4.096 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.455 -4.346 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.131 -2.234 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.297 -2.091 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.074 -2.037 1.751 1.00 0.00 H new ATOM 695 N ILE A 44 -0.169 -6.819 2.344 1.00 0.00 N ATOM 696 CA ILE A 44 0.990 -7.348 3.111 1.00 0.00 C ATOM 697 C ILE A 44 1.488 -8.625 2.437 1.00 0.00 C ATOM 698 O ILE A 44 2.674 -8.853 2.306 1.00 0.00 O ATOM 699 CB ILE A 44 0.465 -7.613 4.535 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.514 -7.125 5.533 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.200 -9.109 4.757 1.00 0.00 C ATOM 702 CD1 ILE A 44 1.197 -7.651 6.932 1.00 0.00 C ATOM 0 H ILE A 44 -1.062 -6.820 2.836 1.00 0.00 H new ATOM 0 HA ILE A 44 1.832 -6.656 3.146 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.476 -7.081 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.504 -7.462 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.538 -6.035 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.170 -9.267 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.545 -9.457 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.126 -9.667 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.952 -7.296 7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.216 -7.292 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.197 -8.741 6.920 1.00 0.00 H new ATOM 714 N ASN A 45 0.584 -9.452 1.987 1.00 0.00 N ATOM 715 CA ASN A 45 1.007 -10.703 1.300 1.00 0.00 C ATOM 716 C ASN A 45 2.080 -10.373 0.257 1.00 0.00 C ATOM 717 O ASN A 45 2.876 -11.210 -0.120 1.00 0.00 O ATOM 718 CB ASN A 45 -0.258 -11.228 0.619 1.00 0.00 C ATOM 719 CG ASN A 45 -0.871 -12.346 1.464 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.302 -13.413 1.586 1.00 0.00 O ATOM 721 ND2 ASN A 45 -2.017 -12.146 2.056 1.00 0.00 N ATOM 0 H ASN A 45 -0.424 -9.316 2.065 1.00 0.00 H new ATOM 0 HA ASN A 45 1.431 -11.438 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.977 -10.419 0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.019 -11.601 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.435 -12.885 2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.494 -11.251 1.954 1.00 0.00 H new ATOM 728 N ASP A 46 2.102 -9.153 -0.211 1.00 0.00 N ATOM 729 CA ASP A 46 3.116 -8.751 -1.229 1.00 0.00 C ATOM 730 C ASP A 46 4.276 -8.015 -0.552 1.00 0.00 C ATOM 731 O ASP A 46 4.078 -7.291 0.404 1.00 0.00 O ATOM 732 CB ASP A 46 2.367 -7.811 -2.178 1.00 0.00 C ATOM 733 CG ASP A 46 3.197 -7.584 -3.442 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.121 -6.788 -3.386 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.894 -8.208 -4.445 1.00 0.00 O ATOM 0 H ASP A 46 1.458 -8.414 0.070 1.00 0.00 H new ATOM 0 HA ASP A 46 3.543 -9.607 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.399 -8.238 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.172 -6.859 -1.684 1.00 0.00 H new ATOM 740 N PRO A 47 5.454 -8.223 -1.075 1.00 0.00 N ATOM 741 CA PRO A 47 6.661 -7.570 -0.512 1.00 0.00 C ATOM 742 C PRO A 47 6.560 -6.052 -0.665 1.00 0.00 C ATOM 743 O PRO A 47 7.296 -5.304 -0.053 1.00 0.00 O ATOM 744 CB PRO A 47 7.807 -8.153 -1.340 1.00 0.00 C ATOM 745 CG PRO A 47 7.162 -8.603 -2.611 1.00 0.00 C ATOM 746 CD PRO A 47 5.777 -9.060 -2.235 1.00 0.00 C ATOM 0 HA PRO A 47 6.797 -7.749 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.579 -7.407 -1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.287 -8.984 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.121 -7.791 -3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.729 -9.413 -3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.068 -8.911 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.757 -10.121 -1.985 1.00 0.00 H new ATOM 754 N ARG A 48 5.640 -5.595 -1.466 1.00 0.00 N ATOM 755 CA ARG A 48 5.472 -4.132 -1.650 1.00 0.00 C ATOM 756 C ARG A 48 5.072 -3.476 -0.329 1.00 0.00 C ATOM 757 O ARG A 48 5.295 -2.302 -0.120 1.00 0.00 O ATOM 758 CB ARG A 48 4.374 -3.992 -2.694 1.00 0.00 C ATOM 759 CG ARG A 48 5.002 -4.087 -4.080 1.00 0.00 C ATOM 760 CD ARG A 48 4.857 -2.746 -4.791 1.00 0.00 C ATOM 761 NE ARG A 48 3.473 -2.767 -5.333 1.00 0.00 N ATOM 762 CZ ARG A 48 3.253 -2.413 -6.568 1.00 0.00 C ATOM 763 NH1 ARG A 48 3.921 -1.422 -7.091 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.368 -3.053 -7.281 1.00 0.00 N ATOM 0 H ARG A 48 4.996 -6.176 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 48 6.391 -3.641 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.627 -4.775 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.860 -3.038 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.055 -4.356 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.517 -4.873 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.002 -1.913 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.594 -2.635 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 48 2.696 -3.058 -4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.615 -0.924 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.749 -1.145 -8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.849 -3.830 -6.872 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.195 -2.777 -8.248 1.00 0.00 H new ATOM 778 N TYR A 49 4.485 -4.222 0.565 1.00 0.00 N ATOM 779 CA TYR A 49 4.085 -3.624 1.870 1.00 0.00 C ATOM 780 C TYR A 49 5.326 -3.058 2.569 1.00 0.00 C ATOM 781 O TYR A 49 5.258 -2.101 3.324 1.00 0.00 O ATOM 782 CB TYR A 49 3.491 -4.783 2.674 1.00 0.00 C ATOM 783 CG TYR A 49 2.677 -4.234 3.820 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.503 -3.518 3.563 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.094 -4.443 5.139 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.749 -3.009 4.622 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.338 -3.935 6.200 1.00 0.00 C ATOM 788 CZ TYR A 49 1.166 -3.217 5.942 1.00 0.00 C ATOM 789 OH TYR A 49 0.425 -2.712 6.990 1.00 0.00 O ATOM 0 H TYR A 49 4.266 -5.212 0.451 1.00 0.00 H new ATOM 0 HA TYR A 49 3.371 -2.808 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.864 -5.402 2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.288 -5.423 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.180 -3.359 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.000 -4.997 5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.156 -2.455 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.659 -4.097 7.218 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.135 -1.975 6.669 1.00 0.00 H new ATOM 799 N SER A 50 6.471 -3.625 2.300 1.00 0.00 N ATOM 800 CA SER A 50 7.713 -3.112 2.937 1.00 0.00 C ATOM 801 C SER A 50 8.061 -1.747 2.344 1.00 0.00 C ATOM 802 O SER A 50 8.968 -1.075 2.792 1.00 0.00 O ATOM 803 CB SER A 50 8.791 -4.141 2.600 1.00 0.00 C ATOM 804 OG SER A 50 9.128 -4.037 1.221 1.00 0.00 O ATOM 0 H SER A 50 6.598 -4.417 1.670 1.00 0.00 H new ATOM 0 HA SER A 50 7.611 -2.982 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.675 -3.973 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.433 -5.146 2.824 1.00 0.00 H new ATOM 0 HG SER A 50 8.329 -4.197 0.676 1.00 0.00 H new ATOM 810 N ALA A 51 7.319 -1.320 1.357 1.00 0.00 N ATOM 811 CA ALA A 51 7.578 0.014 0.761 1.00 0.00 C ATOM 812 C ALA A 51 7.385 1.076 1.843 1.00 0.00 C ATOM 813 O ALA A 51 7.884 2.180 1.743 1.00 0.00 O ATOM 814 CB ALA A 51 6.525 0.168 -0.338 1.00 0.00 C ATOM 0 H ALA A 51 6.546 -1.840 0.941 1.00 0.00 H new ATOM 0 HA ALA A 51 8.587 0.120 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.650 1.133 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.645 -0.630 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.529 0.111 0.102 1.00 0.00 H new ATOM 820 N LEU A 52 6.667 0.742 2.887 1.00 0.00 N ATOM 821 CA LEU A 52 6.452 1.732 3.983 1.00 0.00 C ATOM 822 C LEU A 52 6.845 1.117 5.329 1.00 0.00 C ATOM 823 O LEU A 52 6.327 0.095 5.731 1.00 0.00 O ATOM 824 CB LEU A 52 4.958 2.056 3.949 1.00 0.00 C ATOM 825 CG LEU A 52 4.636 2.917 2.722 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.247 3.533 2.885 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.671 4.038 2.586 1.00 0.00 C ATOM 0 H LEU A 52 6.224 -0.166 3.026 1.00 0.00 H new ATOM 0 HA LEU A 52 7.058 2.629 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.378 1.134 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.671 2.583 4.859 1.00 0.00 H new ATOM 0 HG LEU A 52 4.661 2.292 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.016 4.146 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.506 2.739 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.227 4.154 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.436 4.646 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.650 4.663 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.664 3.604 2.470 1.00 0.00 H new ATOM 839 N ALA A 53 7.766 1.729 6.019 1.00 0.00 N ATOM 840 CA ALA A 53 8.207 1.179 7.333 1.00 0.00 C ATOM 841 C ALA A 53 7.188 1.497 8.433 1.00 0.00 C ATOM 842 O ALA A 53 7.050 0.761 9.389 1.00 0.00 O ATOM 843 CB ALA A 53 9.537 1.873 7.622 1.00 0.00 C ATOM 0 H ALA A 53 8.234 2.588 5.730 1.00 0.00 H new ATOM 0 HA ALA A 53 8.302 0.093 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.931 1.522 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.248 1.642 6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.383 2.951 7.668 1.00 0.00 H new ATOM 849 N LYS A 54 6.484 2.590 8.318 1.00 0.00 N ATOM 850 CA LYS A 54 5.495 2.945 9.377 1.00 0.00 C ATOM 851 C LYS A 54 4.062 2.677 8.904 1.00 0.00 C ATOM 852 O LYS A 54 3.714 2.888 7.756 1.00 0.00 O ATOM 853 CB LYS A 54 5.702 4.436 9.634 1.00 0.00 C ATOM 854 CG LYS A 54 5.671 4.703 11.140 1.00 0.00 C ATOM 855 CD LYS A 54 6.919 5.491 11.543 1.00 0.00 C ATOM 856 CE LYS A 54 6.533 6.586 12.542 1.00 0.00 C ATOM 857 NZ LYS A 54 5.948 5.859 13.703 1.00 0.00 N ATOM 0 H LYS A 54 6.549 3.249 7.542 1.00 0.00 H new ATOM 0 HA LYS A 54 5.640 2.348 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.656 4.759 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.923 5.013 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.773 5.263 11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.630 3.761 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.656 4.822 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.382 5.935 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.402 7.172 12.841 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.814 7.281 12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.049 6.437 14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.940 5.675 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.446 4.956 13.834 1.00 0.00 H new ATOM 871 N LEU A 55 3.224 2.218 9.788 1.00 0.00 N ATOM 872 CA LEU A 55 1.817 1.942 9.398 1.00 0.00 C ATOM 873 C LEU A 55 1.072 3.254 9.142 1.00 0.00 C ATOM 874 O LEU A 55 0.181 3.320 8.318 1.00 0.00 O ATOM 875 CB LEU A 55 1.212 1.195 10.583 1.00 0.00 C ATOM 876 CG LEU A 55 0.226 0.154 10.060 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.836 0.850 9.208 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.977 -0.866 9.201 1.00 0.00 C ATOM 0 H LEU A 55 3.453 2.022 10.763 1.00 0.00 H new ATOM 0 HA LEU A 55 1.750 1.359 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.997 0.712 11.165 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.705 1.893 11.250 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.251 -0.354 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.543 0.110 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.367 1.583 9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.356 1.353 8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.276 -1.612 8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.450 -0.357 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.741 -1.357 9.804 1.00 0.00 H new ATOM 890 N SER A 56 1.425 4.304 9.836 1.00 0.00 N ATOM 891 CA SER A 56 0.724 5.600 9.614 1.00 0.00 C ATOM 892 C SER A 56 0.858 6.007 8.147 1.00 0.00 C ATOM 893 O SER A 56 -0.102 6.391 7.507 1.00 0.00 O ATOM 894 CB SER A 56 1.440 6.599 10.521 1.00 0.00 C ATOM 895 OG SER A 56 1.248 6.219 11.878 1.00 0.00 O ATOM 0 H SER A 56 2.162 4.320 10.541 1.00 0.00 H new ATOM 0 HA SER A 56 -0.341 5.548 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.504 6.625 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.052 7.604 10.354 1.00 0.00 H new ATOM 0 HG SER A 56 1.707 6.856 12.464 1.00 0.00 H new ATOM 901 N GLU A 57 2.035 5.892 7.595 1.00 0.00 N ATOM 902 CA GLU A 57 2.204 6.238 6.158 1.00 0.00 C ATOM 903 C GLU A 57 1.503 5.167 5.327 1.00 0.00 C ATOM 904 O GLU A 57 0.903 5.447 4.308 1.00 0.00 O ATOM 905 CB GLU A 57 3.714 6.249 5.900 1.00 0.00 C ATOM 906 CG GLU A 57 4.323 4.911 6.319 1.00 0.00 C ATOM 907 CD GLU A 57 5.753 4.811 5.791 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.163 5.709 5.075 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.414 3.837 6.112 1.00 0.00 O ATOM 0 H GLU A 57 2.879 5.576 8.073 1.00 0.00 H new ATOM 0 HA GLU A 57 1.774 7.204 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.910 6.433 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.181 7.061 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.319 4.822 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.723 4.089 5.930 1.00 0.00 H new ATOM 916 N LYS A 58 1.552 3.938 5.775 1.00 0.00 N ATOM 917 CA LYS A 58 0.865 2.846 5.029 1.00 0.00 C ATOM 918 C LYS A 58 -0.628 3.169 4.923 1.00 0.00 C ATOM 919 O LYS A 58 -1.247 2.976 3.895 1.00 0.00 O ATOM 920 CB LYS A 58 1.072 1.592 5.880 1.00 0.00 C ATOM 921 CG LYS A 58 2.464 1.015 5.626 1.00 0.00 C ATOM 922 CD LYS A 58 2.523 -0.419 6.158 1.00 0.00 C ATOM 923 CE LYS A 58 3.645 -1.183 5.456 1.00 0.00 C ATOM 924 NZ LYS A 58 4.644 -1.465 6.524 1.00 0.00 N ATOM 0 H LYS A 58 2.037 3.646 6.623 1.00 0.00 H new ATOM 0 HA LYS A 58 1.253 2.719 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.957 1.836 6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.311 0.849 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.686 1.029 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.219 1.628 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.694 -0.411 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.569 -0.919 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.275 -2.105 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.083 -0.591 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.023 -2.426 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.421 -0.776 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.187 -1.390 7.455 1.00 0.00 H new ATOM 938 N LYS A 59 -1.206 3.668 5.983 1.00 0.00 N ATOM 939 CA LYS A 59 -2.656 4.017 5.953 1.00 0.00 C ATOM 940 C LYS A 59 -2.880 5.219 5.036 1.00 0.00 C ATOM 941 O LYS A 59 -3.832 5.269 4.282 1.00 0.00 O ATOM 942 CB LYS A 59 -3.006 4.376 7.398 1.00 0.00 C ATOM 943 CG LYS A 59 -3.441 3.118 8.153 1.00 0.00 C ATOM 944 CD LYS A 59 -3.729 3.476 9.613 1.00 0.00 C ATOM 945 CE LYS A 59 -4.620 2.400 10.239 1.00 0.00 C ATOM 946 NZ LYS A 59 -5.093 2.993 11.522 1.00 0.00 N ATOM 0 H LYS A 59 -0.736 3.849 6.870 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.274 3.202 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.144 4.827 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.806 5.116 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.330 2.691 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.659 2.360 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.795 3.558 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.220 4.447 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.457 2.151 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.065 1.478 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.711 2.314 12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.275 3.213 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.624 3.866 11.326 1.00 0.00 H new ATOM 960 N GLN A 60 -2.005 6.189 5.090 1.00 0.00 N ATOM 961 CA GLN A 60 -2.168 7.385 4.215 1.00 0.00 C ATOM 962 C GLN A 60 -2.130 6.956 2.746 1.00 0.00 C ATOM 963 O GLN A 60 -2.874 7.454 1.924 1.00 0.00 O ATOM 964 CB GLN A 60 -0.975 8.283 4.544 1.00 0.00 C ATOM 965 CG GLN A 60 -1.210 8.973 5.889 1.00 0.00 C ATOM 966 CD GLN A 60 -2.188 10.136 5.705 1.00 0.00 C ATOM 967 OE1 GLN A 60 -2.665 10.377 4.613 1.00 0.00 O ATOM 968 NE2 GLN A 60 -2.509 10.872 6.734 1.00 0.00 N ATOM 0 H GLN A 60 -1.188 6.204 5.700 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.116 7.898 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.061 7.691 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.840 9.028 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.609 8.260 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.265 9.339 6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.109 10.670 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.160 11.649 6.622 1.00 0.00 H new ATOM 977 N ALA A 61 -1.278 6.025 2.416 1.00 0.00 N ATOM 978 CA ALA A 61 -1.200 5.552 1.006 1.00 0.00 C ATOM 979 C ALA A 61 -2.455 4.744 0.664 1.00 0.00 C ATOM 980 O ALA A 61 -3.024 4.881 -0.400 1.00 0.00 O ATOM 981 CB ALA A 61 0.045 4.668 0.950 1.00 0.00 C ATOM 0 H ALA A 61 -0.632 5.571 3.062 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.141 6.373 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.171 4.280 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.921 5.255 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.067 3.837 1.646 1.00 0.00 H new ATOM 987 N PHE A 62 -2.895 3.907 1.567 1.00 0.00 N ATOM 988 CA PHE A 62 -4.119 3.100 1.298 1.00 0.00 C ATOM 989 C PHE A 62 -5.311 4.036 1.084 1.00 0.00 C ATOM 990 O PHE A 62 -6.091 3.869 0.165 1.00 0.00 O ATOM 991 CB PHE A 62 -4.316 2.253 2.555 1.00 0.00 C ATOM 992 CG PHE A 62 -5.696 1.644 2.544 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.288 1.272 1.330 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.384 1.453 3.746 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.565 0.709 1.319 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.665 0.887 3.737 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.255 0.514 2.521 1.00 0.00 C ATOM 0 H PHE A 62 -2.460 3.748 2.476 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.030 2.481 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.561 1.468 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.187 2.869 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.756 1.421 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.928 1.742 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.021 0.424 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.197 0.738 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.242 0.076 2.512 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.448 5.034 1.915 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.576 5.989 1.740 1.00 0.00 C ATOM 1009 C ASN A 63 -6.451 6.662 0.376 1.00 0.00 C ATOM 1010 O ASN A 63 -7.400 6.751 -0.379 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.418 7.013 2.866 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.649 6.970 3.773 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.754 6.774 3.308 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.504 7.145 5.058 1.00 0.00 N ATOM 0 H ASN A 63 -4.830 5.227 2.703 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.551 5.504 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.520 6.797 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.296 8.012 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.318 7.117 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.576 7.310 5.449 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.276 7.121 0.049 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.074 7.771 -1.275 1.00 0.00 C ATOM 1023 C ALA A 64 -5.402 6.769 -2.382 1.00 0.00 C ATOM 1024 O ALA A 64 -5.923 7.123 -3.420 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.594 8.155 -1.313 1.00 0.00 C ATOM 0 H ALA A 64 -4.447 7.074 0.641 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.713 8.642 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.368 8.641 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.375 8.840 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.983 7.258 -1.210 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.105 5.515 -2.160 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.409 4.485 -3.192 1.00 0.00 C ATOM 1033 C TYR A 65 -6.918 4.423 -3.428 1.00 0.00 C ATOM 1034 O TYR A 65 -7.381 4.358 -4.551 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.905 3.168 -2.596 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.576 2.008 -3.293 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.006 1.468 -4.450 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.772 1.479 -2.786 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.626 0.398 -5.102 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.392 0.408 -3.439 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.818 -0.132 -4.598 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.428 -1.190 -5.241 1.00 0.00 O ATOM 0 H TYR A 65 -4.666 5.162 -1.310 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.940 4.701 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.823 3.097 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.117 3.136 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.086 1.878 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.213 1.897 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.184 -0.019 -5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.312 -0.002 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.400 -1.123 -5.131 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.690 4.445 -2.377 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.168 4.389 -2.542 1.00 0.00 C ATOM 1054 C LYS A 66 -9.667 5.689 -3.175 1.00 0.00 C ATOM 1055 O LYS A 66 -10.656 5.709 -3.882 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.721 4.229 -1.129 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.132 2.970 -0.487 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.985 2.570 0.718 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.745 3.555 1.863 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.531 3.016 3.007 1.00 0.00 N ATOM 0 H LYS A 66 -7.361 4.499 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.485 3.573 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.474 5.105 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.808 4.160 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.104 2.157 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.104 3.154 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.040 2.564 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.733 1.558 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.685 3.623 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.075 4.559 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.077 3.292 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.497 3.401 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.569 1.979 2.944 1.00 0.00 H new ATOM 1074 N VAL A 67 -8.986 6.774 -2.930 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.415 8.073 -3.520 1.00 0.00 C ATOM 1076 C VAL A 67 -9.212 8.052 -5.038 1.00 0.00 C ATOM 1077 O VAL A 67 -9.788 8.839 -5.764 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.506 9.119 -2.874 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -8.600 10.431 -3.654 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -8.947 9.355 -1.427 1.00 0.00 C ATOM 0 H VAL A 67 -8.151 6.817 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.470 8.282 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.476 8.761 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.952 11.176 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.286 10.265 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.630 10.789 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.299 10.101 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.977 9.711 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.879 8.421 -0.869 1.00 0.00 H new