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 Set 1.1: A 38 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.19) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot -91:sc= -1.5 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= -5.31! C(o=-5.3!,f=-7.3!) 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+ -158:sc= -2.07 (180deg=-2.77!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.263 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -164:sc= -1.97 (180deg=-2.54!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 0:sc= -2.11! USER MOD Single : A 50 SER OG : rot -11:sc= 0.327! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.154 USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= -1.37 (180deg=-3.73!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.483 K(o=-0.48,f=-3.7!) USER MOD Single : A 63 ASN : amide:sc= -2.56! K(o=-2.6!,f=-0.62) USER MOD Single : A 65 TYR OH : rot -151:sc= 0.811 USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 0.402 (180deg=0.299) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.382 0.385 -1.348 1.00 0.00 N ATOM 138 CA TRP A 11 12.934 1.782 -1.638 1.00 0.00 C ATOM 139 C TRP A 11 13.930 2.783 -1.046 1.00 0.00 C ATOM 140 O TRP A 11 14.515 2.551 -0.006 1.00 0.00 O ATOM 141 CB TRP A 11 11.567 1.923 -0.964 1.00 0.00 C ATOM 142 CG TRP A 11 10.519 1.338 -1.848 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.872 2.001 -2.835 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.987 -0.014 -1.847 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.976 1.137 -3.438 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.012 -0.118 -2.865 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.255 -1.152 -1.069 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.328 -1.309 -3.102 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.569 -2.351 -1.305 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.608 -2.428 -2.320 1.00 0.00 C ATOM 0 HA TRP A 11 12.874 1.979 -2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.570 1.415 0.001 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.351 2.974 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.029 3.034 -3.107 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.364 1.396 -4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.995 -1.103 -0.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.587 -1.364 -3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.783 -3.220 -0.701 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.083 -3.355 -2.497 1.00 0.00 H new ATOM 161 N ASN A 12 14.129 3.893 -1.702 1.00 0.00 N ATOM 162 CA ASN A 12 15.090 4.907 -1.177 1.00 0.00 C ATOM 163 C ASN A 12 14.378 6.243 -0.951 1.00 0.00 C ATOM 164 O ASN A 12 14.682 6.971 -0.028 1.00 0.00 O ATOM 165 CB ASN A 12 16.153 5.042 -2.268 1.00 0.00 C ATOM 166 CG ASN A 12 17.545 4.941 -1.644 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.676 4.714 -0.458 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.598 5.100 -2.398 1.00 0.00 N ATOM 0 H ASN A 12 13.669 4.143 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 12 15.522 4.613 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.022 4.261 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.042 5.997 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.531 5.034 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.488 5.291 -3.394 1.00 0.00 H new ATOM 175 N THR A 13 13.431 6.568 -1.786 1.00 0.00 N ATOM 176 CA THR A 13 12.698 7.855 -1.621 1.00 0.00 C ATOM 177 C THR A 13 11.290 7.592 -1.081 1.00 0.00 C ATOM 178 O THR A 13 10.746 6.517 -1.238 1.00 0.00 O ATOM 179 CB THR A 13 12.634 8.454 -3.027 1.00 0.00 C ATOM 180 OG1 THR A 13 11.938 7.563 -3.888 1.00 0.00 O ATOM 181 CG2 THR A 13 14.054 8.672 -3.553 1.00 0.00 C ATOM 0 H THR A 13 13.132 5.997 -2.577 1.00 0.00 H new ATOM 0 HA THR A 13 13.188 8.526 -0.915 1.00 0.00 H new ATOM 0 HB THR A 13 12.110 9.409 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.577 6.953 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.009 9.099 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.586 9.355 -2.891 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.579 7.718 -3.588 1.00 0.00 H new ATOM 189 N LYS A 14 10.693 8.563 -0.442 1.00 0.00 N ATOM 190 CA LYS A 14 9.323 8.359 0.107 1.00 0.00 C ATOM 191 C LYS A 14 8.314 8.180 -1.032 1.00 0.00 C ATOM 192 O LYS A 14 7.399 7.384 -0.944 1.00 0.00 O ATOM 193 CB LYS A 14 9.019 9.632 0.901 1.00 0.00 C ATOM 194 CG LYS A 14 8.925 9.294 2.391 1.00 0.00 C ATOM 195 CD LYS A 14 7.688 9.966 2.989 1.00 0.00 C ATOM 196 CE LYS A 14 7.737 9.863 4.515 1.00 0.00 C ATOM 197 NZ LYS A 14 7.803 11.271 4.994 1.00 0.00 N ATOM 0 H LYS A 14 11.095 9.486 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 14 9.258 7.466 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.801 10.373 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.083 10.073 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.867 8.214 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.822 9.633 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.647 11.012 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.784 9.489 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.855 9.354 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.606 9.293 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.839 11.283 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.656 11.728 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.960 11.787 4.671 1.00 0.00 H new ATOM 211 N GLU A 15 8.471 8.911 -2.102 1.00 0.00 N ATOM 212 CA GLU A 15 7.517 8.778 -3.242 1.00 0.00 C ATOM 213 C GLU A 15 7.538 7.349 -3.784 1.00 0.00 C ATOM 214 O GLU A 15 6.511 6.758 -4.045 1.00 0.00 O ATOM 215 CB GLU A 15 8.017 9.759 -4.304 1.00 0.00 C ATOM 216 CG GLU A 15 7.379 9.418 -5.655 1.00 0.00 C ATOM 217 CD GLU A 15 7.336 10.671 -6.532 1.00 0.00 C ATOM 218 OE1 GLU A 15 7.781 11.709 -6.070 1.00 0.00 O ATOM 219 OE2 GLU A 15 6.856 10.573 -7.649 1.00 0.00 O ATOM 0 H GLU A 15 9.217 9.594 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 15 6.491 8.992 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.765 10.780 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.103 9.708 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.951 8.634 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.371 9.031 -5.505 1.00 0.00 H new ATOM 226 N GLU A 16 8.700 6.793 -3.961 1.00 0.00 N ATOM 227 CA GLU A 16 8.787 5.404 -4.493 1.00 0.00 C ATOM 228 C GLU A 16 8.170 4.416 -3.504 1.00 0.00 C ATOM 229 O GLU A 16 7.469 3.499 -3.883 1.00 0.00 O ATOM 230 CB GLU A 16 10.282 5.137 -4.663 1.00 0.00 C ATOM 231 CG GLU A 16 10.742 5.682 -6.015 1.00 0.00 C ATOM 232 CD GLU A 16 11.785 4.738 -6.617 1.00 0.00 C ATOM 233 OE1 GLU A 16 11.567 3.539 -6.567 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.782 5.230 -7.118 1.00 0.00 O ATOM 0 H GLU A 16 9.595 7.239 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 16 8.245 5.287 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.842 5.612 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.481 4.067 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.891 5.778 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.166 6.679 -5.892 1.00 0.00 H new ATOM 241 N ALA A 17 8.420 4.596 -2.237 1.00 0.00 N ATOM 242 CA ALA A 17 7.838 3.664 -1.230 1.00 0.00 C ATOM 243 C ALA A 17 6.320 3.838 -1.186 1.00 0.00 C ATOM 244 O ALA A 17 5.570 2.880 -1.232 1.00 0.00 O ATOM 245 CB ALA A 17 8.464 4.075 0.102 1.00 0.00 C ATOM 0 H ALA A 17 8.999 5.344 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 17 8.038 2.618 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.084 3.433 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.548 3.974 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.208 5.112 0.320 1.00 0.00 H new ATOM 251 N LYS A 18 5.860 5.058 -1.118 1.00 0.00 N ATOM 252 CA LYS A 18 4.390 5.299 -1.092 1.00 0.00 C ATOM 253 C LYS A 18 3.793 4.880 -2.432 1.00 0.00 C ATOM 254 O LYS A 18 2.674 4.415 -2.515 1.00 0.00 O ATOM 255 CB LYS A 18 4.238 6.806 -0.886 1.00 0.00 C ATOM 256 CG LYS A 18 2.950 7.089 -0.111 1.00 0.00 C ATOM 257 CD LYS A 18 2.688 8.595 -0.082 1.00 0.00 C ATOM 258 CE LYS A 18 1.805 8.985 -1.271 1.00 0.00 C ATOM 259 NZ LYS A 18 1.498 10.428 -1.067 1.00 0.00 N ATOM 0 H LYS A 18 6.439 5.897 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 18 3.881 4.735 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.097 7.197 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.214 7.315 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.112 6.573 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.034 6.705 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.200 8.872 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.631 9.139 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.322 8.821 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.894 8.388 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.895 10.768 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.000 10.552 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.384 10.973 -1.052 1.00 0.00 H new ATOM 273 N GLN A 19 4.547 5.041 -3.484 1.00 0.00 N ATOM 274 CA GLN A 19 4.051 4.655 -4.831 1.00 0.00 C ATOM 275 C GLN A 19 3.903 3.133 -4.916 1.00 0.00 C ATOM 276 O GLN A 19 2.910 2.626 -5.400 1.00 0.00 O ATOM 277 CB GLN A 19 5.120 5.160 -5.801 1.00 0.00 C ATOM 278 CG GLN A 19 4.670 4.905 -7.240 1.00 0.00 C ATOM 279 CD GLN A 19 4.928 3.443 -7.599 1.00 0.00 C ATOM 280 OE1 GLN A 19 4.080 2.786 -8.168 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.073 2.902 -7.290 1.00 0.00 N ATOM 0 H GLN A 19 5.491 5.426 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 19 3.072 5.077 -5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.291 6.225 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.066 4.654 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.610 5.136 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.210 5.560 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.785 3.454 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.257 1.927 -7.526 1.00 0.00 H new ATOM 290 N ALA A 20 4.872 2.392 -4.438 1.00 0.00 N ATOM 291 CA ALA A 20 4.752 0.906 -4.489 1.00 0.00 C ATOM 292 C ALA A 20 3.585 0.469 -3.604 1.00 0.00 C ATOM 293 O ALA A 20 2.859 -0.452 -3.921 1.00 0.00 O ATOM 294 CB ALA A 20 6.075 0.361 -3.950 1.00 0.00 C ATOM 0 H ALA A 20 5.731 2.749 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 20 4.562 0.537 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.051 -0.729 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.895 0.712 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.223 0.710 -2.928 1.00 0.00 H new ATOM 300 N PHE A 21 3.390 1.143 -2.504 1.00 0.00 N ATOM 301 CA PHE A 21 2.257 0.786 -1.606 1.00 0.00 C ATOM 302 C PHE A 21 0.943 1.025 -2.356 1.00 0.00 C ATOM 303 O PHE A 21 0.043 0.206 -2.340 1.00 0.00 O ATOM 304 CB PHE A 21 2.386 1.737 -0.415 1.00 0.00 C ATOM 305 CG PHE A 21 1.882 1.063 0.840 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.644 0.054 1.444 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.664 1.454 1.410 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.186 -0.565 2.613 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.208 0.834 2.582 1.00 0.00 C ATOM 310 CZ PHE A 21 0.969 -0.174 3.182 1.00 0.00 C ATOM 0 H PHE A 21 3.965 1.924 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 21 2.270 -0.255 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.427 2.033 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.817 2.648 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.585 -0.246 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.076 2.233 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.772 -1.345 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.731 1.135 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.617 -0.651 4.085 1.00 0.00 H new ATOM 320 N LYS A 22 0.839 2.136 -3.037 1.00 0.00 N ATOM 321 CA LYS A 22 -0.400 2.423 -3.813 1.00 0.00 C ATOM 322 C LYS A 22 -0.539 1.386 -4.928 1.00 0.00 C ATOM 323 O LYS A 22 -1.586 0.798 -5.119 1.00 0.00 O ATOM 324 CB LYS A 22 -0.198 3.821 -4.397 1.00 0.00 C ATOM 325 CG LYS A 22 -0.724 4.866 -3.411 1.00 0.00 C ATOM 326 CD LYS A 22 -0.715 6.246 -4.071 1.00 0.00 C ATOM 327 CE LYS A 22 -1.879 7.082 -3.529 1.00 0.00 C ATOM 328 NZ LYS A 22 -2.452 7.775 -4.720 1.00 0.00 N ATOM 0 H LYS A 22 1.559 2.856 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.302 2.378 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.859 3.994 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.721 3.908 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.736 4.608 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.106 4.877 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.231 6.749 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.800 6.144 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.624 6.451 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.535 7.799 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.255 8.367 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.723 8.374 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.778 7.068 -5.409 1.00 0.00 H new ATOM 342 N GLU A 23 0.522 1.138 -5.651 1.00 0.00 N ATOM 343 CA GLU A 23 0.458 0.118 -6.734 1.00 0.00 C ATOM 344 C GLU A 23 0.083 -1.222 -6.118 1.00 0.00 C ATOM 345 O GLU A 23 -0.614 -2.025 -6.707 1.00 0.00 O ATOM 346 CB GLU A 23 1.871 0.057 -7.311 1.00 0.00 C ATOM 347 CG GLU A 23 1.943 0.930 -8.556 1.00 0.00 C ATOM 348 CD GLU A 23 1.276 0.208 -9.729 1.00 0.00 C ATOM 349 OE1 GLU A 23 1.960 -0.546 -10.402 1.00 0.00 O ATOM 350 OE2 GLU A 23 0.092 0.420 -9.933 1.00 0.00 O ATOM 0 H GLU A 23 1.426 1.597 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.277 0.358 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.594 0.399 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.131 -0.972 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.447 1.883 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.983 1.153 -8.797 1.00 0.00 H new ATOM 357 N LEU A 24 0.538 -1.457 -4.923 1.00 0.00 N ATOM 358 CA LEU A 24 0.211 -2.735 -4.237 1.00 0.00 C ATOM 359 C LEU A 24 -1.306 -2.840 -4.074 1.00 0.00 C ATOM 360 O LEU A 24 -1.908 -3.845 -4.392 1.00 0.00 O ATOM 361 CB LEU A 24 0.896 -2.640 -2.872 1.00 0.00 C ATOM 362 CG LEU A 24 0.741 -3.961 -2.119 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.103 -5.126 -3.042 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.673 -3.961 -0.903 1.00 0.00 C ATOM 0 H LEU A 24 1.125 -0.817 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 24 0.545 -3.613 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.953 -2.407 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.459 -1.827 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.292 -4.073 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.991 -6.066 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.441 -5.124 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.135 -5.019 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.566 -4.901 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.705 -3.849 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.412 -3.132 -0.245 1.00 0.00 H new ATOM 376 N LEU A 25 -1.931 -1.795 -3.599 1.00 0.00 N ATOM 377 CA LEU A 25 -3.413 -1.829 -3.441 1.00 0.00 C ATOM 378 C LEU A 25 -4.077 -1.977 -4.813 1.00 0.00 C ATOM 379 O LEU A 25 -5.069 -2.664 -4.964 1.00 0.00 O ATOM 380 CB LEU A 25 -3.783 -0.486 -2.811 1.00 0.00 C ATOM 381 CG LEU A 25 -3.779 -0.615 -1.290 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.881 0.465 -0.687 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.204 -0.437 -0.769 1.00 0.00 C ATOM 0 H LEU A 25 -1.482 -0.924 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.745 -2.666 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.074 0.281 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.767 -0.170 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.402 -1.598 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.879 0.372 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.865 0.345 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.258 1.449 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.208 -0.528 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.574 0.548 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.847 -1.204 -1.200 1.00 0.00 H new ATOM 395 N LYS A 26 -3.531 -1.341 -5.816 1.00 0.00 N ATOM 396 CA LYS A 26 -4.123 -1.447 -7.180 1.00 0.00 C ATOM 397 C LYS A 26 -4.030 -2.894 -7.672 1.00 0.00 C ATOM 398 O LYS A 26 -4.970 -3.439 -8.214 1.00 0.00 O ATOM 399 CB LYS A 26 -3.275 -0.524 -8.056 1.00 0.00 C ATOM 400 CG LYS A 26 -4.129 0.019 -9.204 1.00 0.00 C ATOM 401 CD LYS A 26 -3.595 1.386 -9.639 1.00 0.00 C ATOM 402 CE LYS A 26 -4.705 2.432 -9.516 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.374 3.200 -8.282 1.00 0.00 N ATOM 0 H LYS A 26 -2.700 -0.753 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.176 -1.166 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.882 0.300 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.418 -1.068 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.110 -0.675 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.168 0.107 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.744 1.669 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.239 1.338 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.733 3.082 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.685 1.961 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.091 3.938 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.361 2.556 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.439 3.643 -8.389 1.00 0.00 H new ATOM 417 N GLU A 27 -2.900 -3.522 -7.478 1.00 0.00 N ATOM 418 CA GLU A 27 -2.746 -4.936 -7.925 1.00 0.00 C ATOM 419 C GLU A 27 -3.568 -5.857 -7.020 1.00 0.00 C ATOM 420 O GLU A 27 -4.046 -6.892 -7.439 1.00 0.00 O ATOM 421 CB GLU A 27 -1.254 -5.236 -7.789 1.00 0.00 C ATOM 422 CG GLU A 27 -0.785 -6.032 -9.007 1.00 0.00 C ATOM 423 CD GLU A 27 -0.181 -7.360 -8.548 1.00 0.00 C ATOM 424 OE1 GLU A 27 0.251 -7.431 -7.409 1.00 0.00 O ATOM 425 OE2 GLU A 27 -0.158 -8.284 -9.345 1.00 0.00 O ATOM 0 H GLU A 27 -2.078 -3.117 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.096 -5.093 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.690 -4.306 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.067 -5.802 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.623 -6.215 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.046 -5.459 -9.567 1.00 0.00 H new ATOM 432 N LYS A 28 -3.751 -5.473 -5.786 1.00 0.00 N ATOM 433 CA LYS A 28 -4.561 -6.307 -4.854 1.00 0.00 C ATOM 434 C LYS A 28 -6.050 -6.078 -5.124 1.00 0.00 C ATOM 435 O LYS A 28 -6.904 -6.730 -4.558 1.00 0.00 O ATOM 436 CB LYS A 28 -4.179 -5.830 -3.448 1.00 0.00 C ATOM 437 CG LYS A 28 -3.054 -6.703 -2.886 1.00 0.00 C ATOM 438 CD LYS A 28 -1.778 -6.515 -3.705 1.00 0.00 C ATOM 439 CE LYS A 28 -1.214 -7.887 -4.085 1.00 0.00 C ATOM 440 NZ LYS A 28 0.182 -7.621 -4.532 1.00 0.00 N ATOM 0 H LYS A 28 -3.373 -4.616 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.373 -7.374 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.859 -4.789 -3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.048 -5.875 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.868 -6.442 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.354 -7.751 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.991 -5.935 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.042 -5.953 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.233 -8.570 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.801 -8.349 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.506 -8.400 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.212 -6.729 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.804 -7.549 -3.702 1.00 0.00 H new ATOM 454 N ARG A 29 -6.360 -5.158 -5.995 1.00 0.00 N ATOM 455 CA ARG A 29 -7.786 -4.881 -6.321 1.00 0.00 C ATOM 456 C ARG A 29 -8.546 -4.417 -5.077 1.00 0.00 C ATOM 457 O ARG A 29 -9.684 -4.783 -4.864 1.00 0.00 O ATOM 458 CB ARG A 29 -8.341 -6.213 -6.828 1.00 0.00 C ATOM 459 CG ARG A 29 -8.367 -6.201 -8.358 1.00 0.00 C ATOM 460 CD ARG A 29 -9.057 -7.468 -8.869 1.00 0.00 C ATOM 461 NE ARG A 29 -10.416 -7.024 -9.285 1.00 0.00 N ATOM 462 CZ ARG A 29 -11.236 -7.869 -9.849 1.00 0.00 C ATOM 463 NH1 ARG A 29 -11.247 -8.001 -11.147 1.00 0.00 N ATOM 464 NH2 ARG A 29 -12.044 -8.584 -9.114 1.00 0.00 N ATOM 0 H ARG A 29 -5.683 -4.584 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.890 -4.086 -7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.724 -7.037 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.346 -6.374 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.895 -5.317 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.351 -6.145 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.511 -7.905 -9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.111 -8.229 -8.091 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.707 -6.059 -9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.615 -7.444 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.888 -8.661 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.035 -8.482 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.685 -9.244 -9.555 1.00 0.00 H new ATOM 478 N VAL A 30 -7.933 -3.608 -4.256 1.00 0.00 N ATOM 479 CA VAL A 30 -8.640 -3.122 -3.037 1.00 0.00 C ATOM 480 C VAL A 30 -9.741 -2.137 -3.438 1.00 0.00 C ATOM 481 O VAL A 30 -9.494 -1.194 -4.162 1.00 0.00 O ATOM 482 CB VAL A 30 -7.571 -2.413 -2.205 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.172 -1.982 -0.866 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.402 -3.364 -1.953 1.00 0.00 C ATOM 0 H VAL A 30 -6.980 -3.265 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.111 -3.933 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.215 -1.536 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.411 -1.476 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.005 -1.302 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.529 -2.860 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.641 -2.856 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.757 -4.242 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.972 -3.673 -2.906 1.00 0.00 H new ATOM 494 N PRO A 31 -10.925 -2.388 -2.954 1.00 0.00 N ATOM 495 CA PRO A 31 -12.072 -1.507 -3.275 1.00 0.00 C ATOM 496 C PRO A 31 -11.930 -0.166 -2.550 1.00 0.00 C ATOM 497 O PRO A 31 -11.155 -0.030 -1.623 1.00 0.00 O ATOM 498 CB PRO A 31 -13.278 -2.285 -2.756 1.00 0.00 C ATOM 499 CG PRO A 31 -12.728 -3.175 -1.689 1.00 0.00 C ATOM 500 CD PRO A 31 -11.306 -3.496 -2.073 1.00 0.00 C ATOM 0 HA PRO A 31 -12.151 -1.272 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.040 -1.615 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.747 -2.864 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.763 -2.681 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.320 -4.086 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.658 -3.553 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.236 -4.456 -2.584 1.00 0.00 H new ATOM 508 N SER A 32 -12.669 0.824 -2.965 1.00 0.00 N ATOM 509 CA SER A 32 -12.576 2.154 -2.298 1.00 0.00 C ATOM 510 C SER A 32 -13.230 2.096 -0.915 1.00 0.00 C ATOM 511 O SER A 32 -13.140 3.022 -0.135 1.00 0.00 O ATOM 512 CB SER A 32 -13.336 3.113 -3.214 1.00 0.00 C ATOM 513 OG SER A 32 -14.133 3.985 -2.424 1.00 0.00 O ATOM 0 H SER A 32 -13.334 0.771 -3.737 1.00 0.00 H new ATOM 0 HA SER A 32 -11.544 2.471 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.635 3.689 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.966 2.552 -3.905 1.00 0.00 H new ATOM 0 HG SER A 32 -14.620 4.602 -3.009 1.00 0.00 H new ATOM 519 N ASN A 33 -13.889 1.012 -0.607 1.00 0.00 N ATOM 520 CA ASN A 33 -14.548 0.892 0.725 1.00 0.00 C ATOM 521 C ASN A 33 -13.874 -0.207 1.548 1.00 0.00 C ATOM 522 O ASN A 33 -14.408 -0.673 2.536 1.00 0.00 O ATOM 523 CB ASN A 33 -15.997 0.518 0.416 1.00 0.00 C ATOM 524 CG ASN A 33 -16.032 -0.818 -0.327 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.936 -0.855 -1.538 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.164 -1.926 0.351 1.00 0.00 N ATOM 0 H ASN A 33 -14.000 0.204 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.480 1.812 1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.570 0.447 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.463 1.295 -0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.186 -2.822 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.245 -1.895 1.367 1.00 0.00 H new ATOM 533 N ALA A 34 -12.705 -0.626 1.148 1.00 0.00 N ATOM 534 CA ALA A 34 -11.998 -1.696 1.908 1.00 0.00 C ATOM 535 C ALA A 34 -11.527 -1.167 3.261 1.00 0.00 C ATOM 536 O ALA A 34 -11.192 -0.009 3.405 1.00 0.00 O ATOM 537 CB ALA A 34 -10.790 -2.074 1.047 1.00 0.00 C ATOM 0 H ALA A 34 -12.209 -0.274 0.329 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.648 -2.549 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.220 -2.859 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.133 -2.434 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.156 -1.199 0.906 1.00 0.00 H new ATOM 543 N SER A 35 -11.483 -2.014 4.250 1.00 0.00 N ATOM 544 CA SER A 35 -11.009 -1.569 5.588 1.00 0.00 C ATOM 545 C SER A 35 -9.497 -1.746 5.658 1.00 0.00 C ATOM 546 O SER A 35 -8.934 -2.568 4.963 1.00 0.00 O ATOM 547 CB SER A 35 -11.698 -2.499 6.583 1.00 0.00 C ATOM 548 OG SER A 35 -11.109 -3.791 6.497 1.00 0.00 O ATOM 0 H SER A 35 -11.755 -2.995 4.189 1.00 0.00 H new ATOM 0 HA SER A 35 -11.236 -0.523 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.598 -2.107 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.765 -2.557 6.367 1.00 0.00 H new ATOM 0 HG SER A 35 -11.546 -4.393 7.135 1.00 0.00 H new ATOM 554 N TRP A 36 -8.823 -0.996 6.480 1.00 0.00 N ATOM 555 CA TRP A 36 -7.349 -1.164 6.553 1.00 0.00 C ATOM 556 C TRP A 36 -7.012 -2.644 6.731 1.00 0.00 C ATOM 557 O TRP A 36 -6.004 -3.120 6.262 1.00 0.00 O ATOM 558 CB TRP A 36 -6.888 -0.363 7.769 1.00 0.00 C ATOM 559 CG TRP A 36 -5.422 -0.597 7.967 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.828 -0.883 9.148 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.362 -0.583 6.969 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.469 -1.044 8.938 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.134 -0.869 7.609 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.348 -0.352 5.582 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.935 -0.922 6.897 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.144 -0.405 4.863 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.940 -0.690 5.520 1.00 0.00 C ATOM 0 H TRP A 36 -9.220 -0.286 7.095 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.855 -0.816 5.646 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.085 0.699 7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.443 -0.668 8.656 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.332 -0.971 10.099 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.798 -1.265 9.674 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.271 -0.132 5.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.009 -1.141 7.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.146 -0.225 3.798 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.016 -0.730 4.962 1.00 0.00 H new ATOM 578 N GLU A 37 -7.854 -3.376 7.407 1.00 0.00 N ATOM 579 CA GLU A 37 -7.580 -4.827 7.616 1.00 0.00 C ATOM 580 C GLU A 37 -7.619 -5.582 6.283 1.00 0.00 C ATOM 581 O GLU A 37 -6.743 -6.368 5.980 1.00 0.00 O ATOM 582 CB GLU A 37 -8.698 -5.311 8.538 1.00 0.00 C ATOM 583 CG GLU A 37 -8.301 -5.063 9.994 1.00 0.00 C ATOM 584 CD GLU A 37 -9.094 -6.001 10.904 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.254 -5.715 11.150 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.529 -6.991 11.340 1.00 0.00 O ATOM 0 H GLU A 37 -8.720 -3.033 7.824 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.592 -4.999 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.626 -4.787 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.883 -6.373 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.232 -5.230 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.497 -4.025 10.264 1.00 0.00 H new ATOM 593 N GLN A 38 -8.630 -5.359 5.486 1.00 0.00 N ATOM 594 CA GLN A 38 -8.718 -6.079 4.180 1.00 0.00 C ATOM 595 C GLN A 38 -7.646 -5.572 3.209 1.00 0.00 C ATOM 596 O GLN A 38 -6.962 -6.346 2.564 1.00 0.00 O ATOM 597 CB GLN A 38 -10.116 -5.761 3.651 1.00 0.00 C ATOM 598 CG GLN A 38 -11.142 -6.638 4.371 1.00 0.00 C ATOM 599 CD GLN A 38 -11.033 -8.076 3.861 1.00 0.00 C ATOM 600 OE1 GLN A 38 -10.746 -8.980 4.619 1.00 0.00 O ATOM 601 NE2 GLN A 38 -11.249 -8.327 2.599 1.00 0.00 N ATOM 0 H GLN A 38 -9.395 -4.713 5.680 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.554 -7.151 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.346 -4.707 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.160 -5.938 2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.970 -6.609 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.148 -6.255 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.490 -7.568 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.177 -9.282 2.249 1.00 0.00 H new ATOM 610 N ALA A 39 -7.494 -4.284 3.102 1.00 0.00 N ATOM 611 CA ALA A 39 -6.470 -3.733 2.171 1.00 0.00 C ATOM 612 C ALA A 39 -5.063 -4.023 2.695 1.00 0.00 C ATOM 613 O ALA A 39 -4.162 -4.312 1.937 1.00 0.00 O ATOM 614 CB ALA A 39 -6.731 -2.228 2.142 1.00 0.00 C ATOM 0 H ALA A 39 -8.033 -3.588 3.618 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.535 -4.178 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.015 -1.747 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.743 -2.041 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.622 -1.820 3.147 1.00 0.00 H new ATOM 620 N MET A 40 -4.863 -3.941 3.984 1.00 0.00 N ATOM 621 CA MET A 40 -3.505 -4.205 4.545 1.00 0.00 C ATOM 622 C MET A 40 -3.120 -5.673 4.368 1.00 0.00 C ATOM 623 O MET A 40 -2.021 -5.979 3.970 1.00 0.00 O ATOM 624 CB MET A 40 -3.598 -3.857 6.029 1.00 0.00 C ATOM 625 CG MET A 40 -2.245 -4.111 6.698 1.00 0.00 C ATOM 626 SD MET A 40 -2.317 -5.657 7.636 1.00 0.00 S ATOM 627 CE MET A 40 -2.841 -4.941 9.212 1.00 0.00 C ATOM 0 H MET A 40 -5.579 -3.703 4.671 1.00 0.00 H new ATOM 0 HA MET A 40 -2.743 -3.615 4.036 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.886 -2.813 6.151 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.371 -4.459 6.507 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.459 -4.167 5.944 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.993 -3.283 7.360 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.950 -5.733 9.953 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.093 -4.225 9.553 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.796 -4.433 9.081 1.00 0.00 H new ATOM 637 N LYS A 41 -4.000 -6.588 4.667 1.00 0.00 N ATOM 638 CA LYS A 41 -3.635 -8.027 4.506 1.00 0.00 C ATOM 639 C LYS A 41 -3.428 -8.355 3.022 1.00 0.00 C ATOM 640 O LYS A 41 -2.459 -8.996 2.645 1.00 0.00 O ATOM 641 CB LYS A 41 -4.812 -8.820 5.092 1.00 0.00 C ATOM 642 CG LYS A 41 -6.026 -8.730 4.165 1.00 0.00 C ATOM 643 CD LYS A 41 -7.198 -9.499 4.781 1.00 0.00 C ATOM 644 CE LYS A 41 -7.073 -10.985 4.433 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.440 -11.400 4.014 1.00 0.00 N ATOM 0 H LYS A 41 -4.943 -6.408 5.011 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.703 -8.275 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.525 -9.863 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.068 -8.430 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.303 -7.687 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.781 -9.143 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.205 -9.367 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.143 -9.105 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.350 -11.143 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.731 -11.564 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.434 -12.408 3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.106 -11.245 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.737 -10.837 3.191 1.00 0.00 H new ATOM 659 N MET A 42 -4.323 -7.916 2.174 1.00 0.00 N ATOM 660 CA MET A 42 -4.174 -8.204 0.718 1.00 0.00 C ATOM 661 C MET A 42 -2.860 -7.623 0.186 1.00 0.00 C ATOM 662 O MET A 42 -2.296 -8.120 -0.770 1.00 0.00 O ATOM 663 CB MET A 42 -5.371 -7.520 0.054 1.00 0.00 C ATOM 664 CG MET A 42 -6.662 -8.213 0.492 1.00 0.00 C ATOM 665 SD MET A 42 -7.368 -9.117 -0.909 1.00 0.00 S ATOM 666 CE MET A 42 -7.663 -7.687 -1.979 1.00 0.00 C ATOM 0 H MET A 42 -5.148 -7.372 2.427 1.00 0.00 H new ATOM 0 HA MET A 42 -4.148 -9.274 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.400 -6.466 0.330 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.272 -7.563 -1.031 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.458 -8.898 1.315 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.376 -7.476 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.349 -7.966 -2.779 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.099 -6.878 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.719 -7.354 -2.410 1.00 0.00 H new ATOM 676 N ILE A 43 -2.372 -6.572 0.788 1.00 0.00 N ATOM 677 CA ILE A 43 -1.101 -5.961 0.303 1.00 0.00 C ATOM 678 C ILE A 43 0.093 -6.469 1.120 1.00 0.00 C ATOM 679 O ILE A 43 1.202 -6.542 0.629 1.00 0.00 O ATOM 680 CB ILE A 43 -1.284 -4.455 0.496 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.320 -4.127 1.986 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.598 -4.008 -0.145 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.400 -2.610 2.159 1.00 0.00 C ATOM 0 H ILE A 43 -2.797 -6.111 1.593 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.897 -6.218 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.450 -3.934 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.179 -4.606 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.429 -4.516 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.724 -2.934 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.579 -4.235 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.429 -4.535 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.426 -2.366 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.527 -2.145 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.304 -2.236 1.678 1.00 0.00 H new ATOM 695 N ILE A 44 -0.117 -6.831 2.357 1.00 0.00 N ATOM 696 CA ILE A 44 1.025 -7.331 3.176 1.00 0.00 C ATOM 697 C ILE A 44 1.529 -8.643 2.578 1.00 0.00 C ATOM 698 O ILE A 44 2.717 -8.884 2.494 1.00 0.00 O ATOM 699 CB ILE A 44 0.458 -7.541 4.589 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.572 -7.340 5.618 1.00 0.00 C ATOM 701 CG2 ILE A 44 -0.108 -8.956 4.736 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.981 -6.751 6.901 1.00 0.00 C ATOM 0 H ILE A 44 -1.019 -6.803 2.832 1.00 0.00 H new ATOM 0 HA ILE A 44 1.867 -6.640 3.198 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.342 -6.819 4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.059 -8.291 5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.336 -6.674 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.505 -9.086 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.906 -9.106 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.684 -9.685 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.774 -6.608 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.514 -5.791 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.233 -7.434 7.304 1.00 0.00 H new ATOM 714 N ASN A 45 0.631 -9.486 2.143 1.00 0.00 N ATOM 715 CA ASN A 45 1.068 -10.772 1.532 1.00 0.00 C ATOM 716 C ASN A 45 2.184 -10.498 0.518 1.00 0.00 C ATOM 717 O ASN A 45 2.993 -11.355 0.218 1.00 0.00 O ATOM 718 CB ASN A 45 -0.175 -11.320 0.831 1.00 0.00 C ATOM 719 CG ASN A 45 -0.431 -12.755 1.294 1.00 0.00 C ATOM 720 OD1 ASN A 45 0.198 -13.680 0.819 1.00 0.00 O ATOM 721 ND2 ASN A 45 -1.334 -12.981 2.208 1.00 0.00 N ATOM 0 H ASN A 45 -0.378 -9.341 2.184 1.00 0.00 H new ATOM 0 HA ASN A 45 1.459 -11.478 2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.038 -10.694 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.037 -11.295 -0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.512 -13.934 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.862 -12.204 2.607 1.00 0.00 H new ATOM 728 N ASP A 46 2.229 -9.303 -0.007 1.00 0.00 N ATOM 729 CA ASP A 46 3.284 -8.949 -1.002 1.00 0.00 C ATOM 730 C ASP A 46 4.386 -8.123 -0.329 1.00 0.00 C ATOM 731 O ASP A 46 4.116 -7.345 0.568 1.00 0.00 O ATOM 732 CB ASP A 46 2.556 -8.117 -2.059 1.00 0.00 C ATOM 733 CG ASP A 46 3.476 -7.890 -3.259 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.506 -8.745 -4.128 1.00 0.00 O ATOM 735 OD2 ASP A 46 4.138 -6.866 -3.288 1.00 0.00 O ATOM 0 H ASP A 46 1.576 -8.551 0.212 1.00 0.00 H new ATOM 0 HA ASP A 46 3.766 -9.827 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.648 -8.629 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.251 -7.160 -1.636 1.00 0.00 H new ATOM 740 N PRO A 47 5.597 -8.320 -0.781 1.00 0.00 N ATOM 741 CA PRO A 47 6.756 -7.584 -0.210 1.00 0.00 C ATOM 742 C PRO A 47 6.607 -6.078 -0.441 1.00 0.00 C ATOM 743 O PRO A 47 7.285 -5.279 0.175 1.00 0.00 O ATOM 744 CB PRO A 47 7.954 -8.158 -0.969 1.00 0.00 C ATOM 745 CG PRO A 47 7.372 -8.698 -2.232 1.00 0.00 C ATOM 746 CD PRO A 47 6.008 -9.220 -1.863 1.00 0.00 C ATOM 0 HA PRO A 47 6.854 -7.703 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.700 -7.390 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.450 -8.940 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.301 -7.921 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.997 -9.491 -2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.318 -9.180 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.048 -10.258 -1.532 1.00 0.00 H new ATOM 754 N ARG A 48 5.720 -5.680 -1.310 1.00 0.00 N ATOM 755 CA ARG A 48 5.529 -4.228 -1.556 1.00 0.00 C ATOM 756 C ARG A 48 5.070 -3.537 -0.276 1.00 0.00 C ATOM 757 O ARG A 48 5.275 -2.355 -0.090 1.00 0.00 O ATOM 758 CB ARG A 48 4.469 -4.144 -2.642 1.00 0.00 C ATOM 759 CG ARG A 48 5.156 -4.261 -3.995 1.00 0.00 C ATOM 760 CD ARG A 48 5.030 -2.942 -4.745 1.00 0.00 C ATOM 761 NE ARG A 48 3.800 -3.105 -5.559 1.00 0.00 N ATOM 762 CZ ARG A 48 3.710 -2.529 -6.725 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.412 -1.459 -6.976 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.922 -3.024 -7.638 1.00 0.00 N ATOM 0 H ARG A 48 5.121 -6.298 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 48 6.449 -3.731 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.736 -4.941 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.928 -3.200 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.207 -4.516 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.705 -5.066 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.945 -2.100 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.902 -2.755 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 48 3.025 -3.667 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.030 -1.075 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.344 -1.006 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.376 -3.862 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.852 -2.573 -8.550 1.00 0.00 H new ATOM 778 N TYR A 49 4.456 -4.265 0.615 1.00 0.00 N ATOM 779 CA TYR A 49 4.002 -3.643 1.887 1.00 0.00 C ATOM 780 C TYR A 49 5.214 -3.061 2.620 1.00 0.00 C ATOM 781 O TYR A 49 5.135 -2.047 3.297 1.00 0.00 O ATOM 782 CB TYR A 49 3.376 -4.792 2.680 1.00 0.00 C ATOM 783 CG TYR A 49 2.564 -4.234 3.818 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.387 -3.534 3.548 1.00 0.00 C ATOM 785 CD2 TYR A 49 2.982 -4.421 5.139 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.624 -3.019 4.595 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.220 -3.905 6.191 1.00 0.00 C ATOM 788 CZ TYR A 49 1.040 -3.204 5.920 1.00 0.00 C ATOM 789 OH TYR A 49 0.286 -2.698 6.958 1.00 0.00 O ATOM 0 H TYR A 49 4.250 -5.259 0.517 1.00 0.00 H new ATOM 0 HA TYR A 49 3.292 -2.829 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.743 -5.395 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.156 -5.450 3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.067 -3.391 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.893 -4.963 5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.287 -2.478 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.542 -4.047 7.212 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.502 -2.240 6.597 1.00 0.00 H new ATOM 799 N SER A 50 6.353 -3.677 2.455 1.00 0.00 N ATOM 800 CA SER A 50 7.577 -3.157 3.118 1.00 0.00 C ATOM 801 C SER A 50 7.998 -1.850 2.447 1.00 0.00 C ATOM 802 O SER A 50 8.910 -1.177 2.887 1.00 0.00 O ATOM 803 CB SER A 50 8.635 -4.241 2.905 1.00 0.00 C ATOM 804 OG SER A 50 9.914 -3.721 3.241 1.00 0.00 O ATOM 0 H SER A 50 6.486 -4.516 1.890 1.00 0.00 H new ATOM 0 HA SER A 50 7.429 -2.947 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.410 -5.111 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.626 -4.575 1.867 1.00 0.00 H new ATOM 0 HG SER A 50 9.852 -2.750 3.359 1.00 0.00 H new ATOM 810 N ALA A 51 7.315 -1.470 1.399 1.00 0.00 N ATOM 811 CA ALA A 51 7.648 -0.193 0.722 1.00 0.00 C ATOM 812 C ALA A 51 7.453 0.946 1.719 1.00 0.00 C ATOM 813 O ALA A 51 8.016 2.013 1.578 1.00 0.00 O ATOM 814 CB ALA A 51 6.648 -0.080 -0.430 1.00 0.00 C ATOM 0 H ALA A 51 6.542 -1.992 0.986 1.00 0.00 H new ATOM 0 HA ALA A 51 8.675 -0.151 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.830 0.843 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.767 -0.932 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.633 -0.070 -0.032 1.00 0.00 H new ATOM 820 N LEU A 52 6.669 0.717 2.745 1.00 0.00 N ATOM 821 CA LEU A 52 6.461 1.786 3.765 1.00 0.00 C ATOM 822 C LEU A 52 6.920 1.286 5.134 1.00 0.00 C ATOM 823 O LEU A 52 6.529 0.229 5.587 1.00 0.00 O ATOM 824 CB LEU A 52 4.964 2.083 3.752 1.00 0.00 C ATOM 825 CG LEU A 52 4.626 2.911 2.512 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.119 3.136 2.453 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.333 4.266 2.588 1.00 0.00 C ATOM 0 H LEU A 52 6.170 -0.156 2.917 1.00 0.00 H new ATOM 0 HA LEU A 52 7.035 2.687 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.397 1.152 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.681 2.625 4.654 1.00 0.00 H new ATOM 0 HG LEU A 52 4.957 2.378 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.874 3.726 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.609 2.174 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.795 3.669 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.090 4.853 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.003 4.799 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.411 4.112 2.636 1.00 0.00 H new ATOM 839 N ALA A 53 7.767 2.034 5.780 1.00 0.00 N ATOM 840 CA ALA A 53 8.289 1.606 7.112 1.00 0.00 C ATOM 841 C ALA A 53 7.268 1.853 8.227 1.00 0.00 C ATOM 842 O ALA A 53 7.213 1.121 9.195 1.00 0.00 O ATOM 843 CB ALA A 53 9.537 2.459 7.333 1.00 0.00 C ATOM 0 H ALA A 53 8.124 2.928 5.444 1.00 0.00 H new ATOM 0 HA ALA A 53 8.501 0.537 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.985 2.207 8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.255 2.266 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.263 3.514 7.326 1.00 0.00 H new ATOM 849 N LYS A 54 6.476 2.885 8.121 1.00 0.00 N ATOM 850 CA LYS A 54 5.489 3.166 9.206 1.00 0.00 C ATOM 851 C LYS A 54 4.060 2.857 8.749 1.00 0.00 C ATOM 852 O LYS A 54 3.696 3.059 7.606 1.00 0.00 O ATOM 853 CB LYS A 54 5.642 4.658 9.502 1.00 0.00 C ATOM 854 CG LYS A 54 6.749 4.863 10.540 1.00 0.00 C ATOM 855 CD LYS A 54 7.826 5.783 9.965 1.00 0.00 C ATOM 856 CE LYS A 54 7.617 7.204 10.494 1.00 0.00 C ATOM 857 NZ LYS A 54 8.762 7.443 11.416 1.00 0.00 N ATOM 0 H LYS A 54 6.468 3.540 7.339 1.00 0.00 H new ATOM 0 HA LYS A 54 5.671 2.547 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.883 5.198 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.701 5.064 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.333 5.297 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.186 3.903 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.816 5.421 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.780 5.778 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.606 7.930 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.664 7.295 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.689 8.399 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.743 6.741 12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.655 7.356 10.890 1.00 0.00 H new ATOM 871 N LEU A 55 3.240 2.375 9.641 1.00 0.00 N ATOM 872 CA LEU A 55 1.834 2.069 9.260 1.00 0.00 C ATOM 873 C LEU A 55 1.072 3.372 9.017 1.00 0.00 C ATOM 874 O LEU A 55 0.162 3.427 8.216 1.00 0.00 O ATOM 875 CB LEU A 55 1.242 1.301 10.440 1.00 0.00 C ATOM 876 CG LEU A 55 0.437 0.115 9.904 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.631 0.623 8.932 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.376 -0.845 9.169 1.00 0.00 C ATOM 0 H LEU A 55 3.481 2.181 10.613 1.00 0.00 H new ATOM 0 HA LEU A 55 1.772 1.484 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.037 0.951 11.099 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.602 1.955 11.032 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.042 -0.405 10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.205 -0.221 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.298 1.311 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.151 1.141 8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.805 -1.691 8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.853 -0.324 8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.140 -1.205 9.858 1.00 0.00 H new ATOM 890 N SER A 56 1.438 4.426 9.699 1.00 0.00 N ATOM 891 CA SER A 56 0.729 5.719 9.490 1.00 0.00 C ATOM 892 C SER A 56 0.822 6.106 8.014 1.00 0.00 C ATOM 893 O SER A 56 -0.153 6.495 7.402 1.00 0.00 O ATOM 894 CB SER A 56 1.476 6.728 10.362 1.00 0.00 C ATOM 895 OG SER A 56 2.848 6.751 9.984 1.00 0.00 O ATOM 0 H SER A 56 2.192 4.446 10.386 1.00 0.00 H new ATOM 0 HA SER A 56 -0.328 5.673 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.038 7.720 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.381 6.458 11.414 1.00 0.00 H new ATOM 0 HG SER A 56 3.330 7.398 10.540 1.00 0.00 H new ATOM 901 N GLU A 57 1.982 5.973 7.428 1.00 0.00 N ATOM 902 CA GLU A 57 2.121 6.303 5.982 1.00 0.00 C ATOM 903 C GLU A 57 1.435 5.212 5.162 1.00 0.00 C ATOM 904 O GLU A 57 0.821 5.477 4.146 1.00 0.00 O ATOM 905 CB GLU A 57 3.625 6.349 5.700 1.00 0.00 C ATOM 906 CG GLU A 57 4.281 5.047 6.154 1.00 0.00 C ATOM 907 CD GLU A 57 5.692 4.961 5.571 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.238 6.001 5.238 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.203 3.859 5.467 1.00 0.00 O ATOM 0 H GLU A 57 2.835 5.652 7.886 1.00 0.00 H new ATOM 0 HA GLU A 57 1.659 7.255 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.799 6.502 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.075 7.194 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.322 5.007 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.687 4.194 5.826 1.00 0.00 H new ATOM 916 N LYS A 58 1.515 3.987 5.606 1.00 0.00 N ATOM 917 CA LYS A 58 0.844 2.886 4.861 1.00 0.00 C ATOM 918 C LYS A 58 -0.656 3.171 4.780 1.00 0.00 C ATOM 919 O LYS A 58 -1.273 3.035 3.743 1.00 0.00 O ATOM 920 CB LYS A 58 1.100 1.629 5.690 1.00 0.00 C ATOM 921 CG LYS A 58 2.485 1.073 5.362 1.00 0.00 C ATOM 922 CD LYS A 58 2.558 -0.393 5.794 1.00 0.00 C ATOM 923 CE LYS A 58 4.003 -0.751 6.150 1.00 0.00 C ATOM 924 NZ LYS A 58 4.396 0.233 7.196 1.00 0.00 N ATOM 0 H LYS A 58 2.014 3.703 6.449 1.00 0.00 H new ATOM 0 HA LYS A 58 1.217 2.780 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.033 1.862 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.337 0.880 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.680 1.159 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.253 1.653 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.908 -0.563 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.200 -1.038 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.076 -1.773 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.653 -0.681 5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.120 0.875 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.563 0.784 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.781 -0.271 8.020 1.00 0.00 H new ATOM 938 N LYS A 59 -1.240 3.579 5.874 1.00 0.00 N ATOM 939 CA LYS A 59 -2.697 3.889 5.876 1.00 0.00 C ATOM 940 C LYS A 59 -2.954 5.144 5.043 1.00 0.00 C ATOM 941 O LYS A 59 -3.929 5.236 4.323 1.00 0.00 O ATOM 942 CB LYS A 59 -3.048 4.137 7.343 1.00 0.00 C ATOM 943 CG LYS A 59 -2.915 2.832 8.132 1.00 0.00 C ATOM 944 CD LYS A 59 -2.818 3.147 9.627 1.00 0.00 C ATOM 945 CE LYS A 59 -3.456 2.013 10.432 1.00 0.00 C ATOM 946 NZ LYS A 59 -2.935 2.180 11.818 1.00 0.00 N ATOM 0 H LYS A 59 -0.769 3.711 6.769 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.298 3.086 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.387 4.896 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.065 4.520 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.774 2.189 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.029 2.286 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.774 3.270 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.322 4.089 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.544 2.077 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.186 1.039 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.330 1.437 12.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.898 2.107 11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.214 3.113 12.184 1.00 0.00 H new ATOM 960 N GLN A 60 -2.077 6.108 5.126 1.00 0.00 N ATOM 961 CA GLN A 60 -2.266 7.351 4.327 1.00 0.00 C ATOM 962 C GLN A 60 -2.257 6.998 2.840 1.00 0.00 C ATOM 963 O GLN A 60 -3.001 7.553 2.053 1.00 0.00 O ATOM 964 CB GLN A 60 -1.071 8.241 4.678 1.00 0.00 C ATOM 965 CG GLN A 60 -1.120 8.610 6.162 1.00 0.00 C ATOM 966 CD GLN A 60 -1.583 10.061 6.314 1.00 0.00 C ATOM 967 OE1 GLN A 60 -1.622 10.801 5.352 1.00 0.00 O ATOM 968 NE2 GLN A 60 -1.938 10.500 7.491 1.00 0.00 N ATOM 0 H GLN A 60 -1.241 6.088 5.710 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.210 7.851 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.140 7.721 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.087 9.144 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.801 7.943 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.135 8.483 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.905 9.878 8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.248 11.465 7.603 1.00 0.00 H new ATOM 977 N ALA A 61 -1.429 6.066 2.454 1.00 0.00 N ATOM 978 CA ALA A 61 -1.378 5.659 1.024 1.00 0.00 C ATOM 979 C ALA A 61 -2.627 4.845 0.681 1.00 0.00 C ATOM 980 O ALA A 61 -3.202 4.989 -0.379 1.00 0.00 O ATOM 981 CB ALA A 61 -0.119 4.800 0.898 1.00 0.00 C ATOM 0 H ALA A 61 -0.785 5.569 3.069 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.349 6.511 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.012 4.461 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.754 5.390 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.200 3.936 1.558 1.00 0.00 H new ATOM 987 N PHE A 62 -3.056 3.997 1.577 1.00 0.00 N ATOM 988 CA PHE A 62 -4.276 3.185 1.304 1.00 0.00 C ATOM 989 C PHE A 62 -5.487 4.112 1.188 1.00 0.00 C ATOM 990 O PHE A 62 -6.291 3.989 0.286 1.00 0.00 O ATOM 991 CB PHE A 62 -4.415 2.262 2.513 1.00 0.00 C ATOM 992 CG PHE A 62 -5.786 1.634 2.510 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.413 1.321 1.297 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.433 1.364 3.721 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.682 0.738 1.295 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.705 0.779 3.720 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.329 0.467 2.506 1.00 0.00 C ATOM 0 H PHE A 62 -2.616 3.832 2.482 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.209 2.620 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.648 1.488 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.263 2.825 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.914 1.531 0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.951 1.607 4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.164 0.496 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.204 0.569 4.654 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.311 0.017 2.504 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.610 5.057 2.079 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.755 6.003 1.995 1.00 0.00 C ATOM 1009 C ASN A 63 -6.667 6.763 0.673 1.00 0.00 C ATOM 1010 O ASN A 63 -7.636 6.906 -0.048 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.580 6.956 3.178 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.450 8.194 2.966 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.480 8.342 3.593 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.077 9.097 2.101 1.00 0.00 N ATOM 0 H ASN A 63 -4.970 5.214 2.858 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.724 5.504 2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.859 6.457 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.534 7.246 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.650 9.927 1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.212 8.973 1.575 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.495 7.229 0.341 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.319 7.958 -0.944 1.00 0.00 C ATOM 1023 C ALA A 64 -5.616 7.005 -2.102 1.00 0.00 C ATOM 1024 O ALA A 64 -6.146 7.394 -3.124 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.854 8.394 -0.963 1.00 0.00 C ATOM 0 H ALA A 64 -4.651 7.136 0.906 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.987 8.814 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.649 8.940 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.655 9.039 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.212 7.515 -0.911 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.286 5.751 -1.936 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.556 4.760 -3.014 1.00 0.00 C ATOM 1033 C TYR A 65 -7.063 4.679 -3.268 1.00 0.00 C ATOM 1034 O TYR A 65 -7.512 4.641 -4.397 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.026 3.432 -2.464 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.669 2.283 -3.204 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.078 1.790 -4.372 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.863 1.720 -2.729 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.675 0.736 -5.068 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.459 0.663 -3.426 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.866 0.172 -4.597 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.454 -0.866 -5.287 1.00 0.00 O ATOM 0 H TYR A 65 -4.841 5.372 -1.100 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.084 5.022 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.943 3.388 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.241 3.357 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.159 2.225 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.321 2.101 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.217 0.356 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.377 0.225 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.424 -0.844 -5.147 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.844 4.655 -2.225 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.320 4.581 -2.403 1.00 0.00 C ATOM 1054 C LYS A 66 -9.841 5.887 -3.006 1.00 0.00 C ATOM 1055 O LYS A 66 -10.764 5.894 -3.795 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.876 4.380 -0.995 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.254 3.130 -0.371 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.939 2.834 0.963 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.364 3.746 2.048 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.002 3.289 3.315 1.00 0.00 N ATOM 0 H LYS A 66 -7.524 4.683 -1.257 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.619 3.778 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.658 5.253 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.961 4.279 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.364 2.281 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.185 3.280 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.014 2.991 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.791 1.789 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.279 3.661 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.593 4.792 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.878 4.016 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.017 3.128 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.557 2.403 3.628 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.254 6.994 -2.641 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.715 8.299 -3.194 1.00 0.00 C ATOM 1076 C VAL A 67 -9.517 8.328 -4.712 1.00 0.00 C ATOM 1077 O VAL A 67 -10.144 9.095 -5.416 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.835 9.350 -2.519 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.087 10.716 -3.157 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.174 9.415 -1.027 1.00 0.00 C ATOM 0 H VAL A 67 -8.476 7.051 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.774 8.475 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.787 9.079 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.459 11.464 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.847 10.671 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.135 10.988 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.547 10.164 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.223 9.685 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.994 8.442 -0.570 1.00 0.00 H new