USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 619 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 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 HIS :FLIP no HD1:sc= -0.302 F(o=-1.1,f=-0.3) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -127:sc= 0.462 (180deg=-0.787) USER MOD Set 2.2: A 60 HIS : no HD1:sc= -0.968! C(o=-0.51!,f=-5.5!) USER MOD Single : A 20 HIS : no HD1:sc=-0.00434 K(o=-0.0043,f=-0.57) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.097) USER MOD Single : A 37 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.67) USER MOD Single : A 41 ASN : amide:sc= -0.635 K(o=-0.64,f=-8.2!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -6.62! C(o=-6.6!,f=-10!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.114 (180deg=-0.836) USER MOD Single : A 57 CYS SG : rot -35:sc= 0.996 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -82:sc= -0.625! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 136:sc= -0.0783 (180deg=-0.684) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.1) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= -2.11! (180deg=-2.55!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.466 K(o=-0.47,f=-2.4!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.439 -1.862 -6.484 1.00 0.00 N ATOM 109 CA HIS A 20 13.353 -0.395 -6.572 1.00 0.00 C ATOM 110 C HIS A 20 11.933 0.080 -6.234 1.00 0.00 C ATOM 111 O HIS A 20 11.712 1.257 -5.965 1.00 0.00 O ATOM 112 CB HIS A 20 13.752 0.063 -8.000 1.00 0.00 C ATOM 113 CG HIS A 20 12.861 -0.602 -9.022 1.00 0.00 C ATOM 114 ND1 HIS A 20 11.682 -0.023 -9.462 1.00 0.00 N ATOM 115 CD2 HIS A 20 12.961 -1.798 -9.686 1.00 0.00 C ATOM 116 CE1 HIS A 20 11.123 -0.864 -10.351 1.00 0.00 C ATOM 117 NE2 HIS A 20 11.863 -1.963 -10.524 1.00 0.00 N ATOM 0 HA HIS A 20 14.040 0.047 -5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.667 1.147 -8.081 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.794 -0.190 -8.194 1.00 0.00 H new ATOM 0 HD2 HIS A 20 13.770 -2.505 -9.575 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.191 -0.674 -10.862 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.665 -2.753 -11.138 1.00 0.00 H new ATOM 125 N MET A 21 10.972 -0.856 -6.251 1.00 0.00 N ATOM 126 CA MET A 21 9.567 -0.532 -5.953 1.00 0.00 C ATOM 127 C MET A 21 9.452 0.006 -4.525 1.00 0.00 C ATOM 128 O MET A 21 8.697 0.942 -4.267 1.00 0.00 O ATOM 129 CB MET A 21 8.672 -1.791 -6.137 1.00 0.00 C ATOM 130 CG MET A 21 8.711 -2.304 -7.620 1.00 0.00 C ATOM 131 SD MET A 21 10.237 -3.265 -7.921 1.00 0.00 S ATOM 132 CE MET A 21 9.634 -4.912 -7.447 1.00 0.00 C ATOM 0 H MET A 21 11.140 -1.839 -6.467 1.00 0.00 H new ATOM 0 HA MET A 21 9.223 0.235 -6.646 1.00 0.00 H new ATOM 0 HB2 MET A 21 9.010 -2.582 -5.467 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.645 -1.554 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.837 -2.924 -7.820 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.665 -1.458 -8.306 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.436 -5.641 -7.566 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.310 -4.895 -6.406 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.794 -5.189 -8.084 1.00 0.00 H new ATOM 142 N ALA A 22 10.206 -0.594 -3.593 1.00 0.00 N ATOM 143 CA ALA A 22 10.184 -0.163 -2.185 1.00 0.00 C ATOM 144 C ALA A 22 10.418 1.355 -2.085 1.00 0.00 C ATOM 145 O ALA A 22 9.785 2.039 -1.277 1.00 0.00 O ATOM 146 CB ALA A 22 11.275 -0.919 -1.398 1.00 0.00 C ATOM 0 H ALA A 22 10.835 -1.374 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 22 9.207 -0.391 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.259 -0.600 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.086 -1.991 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.252 -0.701 -1.829 1.00 0.00 H new ATOM 152 N SER A 23 11.320 1.874 -2.938 1.00 0.00 N ATOM 153 CA SER A 23 11.626 3.311 -2.968 1.00 0.00 C ATOM 154 C SER A 23 10.390 4.111 -3.387 1.00 0.00 C ATOM 155 O SER A 23 10.139 5.203 -2.876 1.00 0.00 O ATOM 156 CB SER A 23 12.784 3.583 -3.955 1.00 0.00 C ATOM 157 OG SER A 23 13.877 2.733 -3.634 1.00 0.00 O ATOM 0 H SER A 23 11.847 1.319 -3.613 1.00 0.00 H new ATOM 0 HA SER A 23 11.925 3.624 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.456 3.403 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.090 4.628 -3.897 1.00 0.00 H new ATOM 0 HG SER A 23 14.615 2.899 -4.257 1.00 0.00 H new ATOM 163 N LYS A 24 9.629 3.557 -4.348 1.00 0.00 N ATOM 164 CA LYS A 24 8.426 4.227 -4.866 1.00 0.00 C ATOM 165 C LYS A 24 7.403 4.428 -3.738 1.00 0.00 C ATOM 166 O LYS A 24 6.764 5.473 -3.629 1.00 0.00 O ATOM 167 CB LYS A 24 7.780 3.378 -6.005 1.00 0.00 C ATOM 168 CG LYS A 24 6.696 4.206 -6.756 1.00 0.00 C ATOM 169 CD LYS A 24 6.018 3.352 -7.859 1.00 0.00 C ATOM 170 CE LYS A 24 4.971 4.198 -8.621 1.00 0.00 C ATOM 171 NZ LYS A 24 4.264 3.332 -9.598 1.00 0.00 N ATOM 0 H LYS A 24 9.825 2.653 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 24 8.719 5.198 -5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.549 3.055 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.332 2.477 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.945 4.557 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.151 5.090 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.770 2.979 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.537 2.482 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.259 4.634 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.459 5.025 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.558 3.895 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.951 2.936 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.787 2.557 -9.094 1.00 0.00 H new ATOM 185 N ARG A 25 7.240 3.393 -2.909 1.00 0.00 N ATOM 186 CA ARG A 25 6.290 3.445 -1.793 1.00 0.00 C ATOM 187 C ARG A 25 6.745 4.510 -0.786 1.00 0.00 C ATOM 188 O ARG A 25 5.939 5.272 -0.248 1.00 0.00 O ATOM 189 CB ARG A 25 6.216 2.059 -1.114 1.00 0.00 C ATOM 190 CG ARG A 25 5.106 2.037 -0.019 1.00 0.00 C ATOM 191 CD ARG A 25 5.067 0.675 0.684 1.00 0.00 C ATOM 192 NE ARG A 25 3.932 0.631 1.609 1.00 0.00 N ATOM 193 CZ ARG A 25 3.691 -0.430 2.393 1.00 0.00 C ATOM 194 NH1 ARG A 25 4.481 -1.473 2.351 1.00 0.00 N ATOM 195 NH2 ARG A 25 2.667 -0.420 3.197 1.00 0.00 N ATOM 0 H ARG A 25 7.750 2.513 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 25 5.299 3.709 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.010 1.293 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.180 1.817 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.293 2.824 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.137 2.246 -0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.980 -0.123 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.998 0.508 1.226 1.00 0.00 H new ATOM 0 HE ARG A 25 3.304 1.434 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.283 -1.480 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.295 -2.278 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.052 0.393 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.480 -1.225 3.795 1.00 0.00 H new ATOM 209 N ASP A 26 8.054 4.535 -0.523 1.00 0.00 N ATOM 210 CA ASP A 26 8.626 5.498 0.423 1.00 0.00 C ATOM 211 C ASP A 26 8.548 6.908 -0.169 1.00 0.00 C ATOM 212 O ASP A 26 8.555 7.897 0.566 1.00 0.00 O ATOM 213 CB ASP A 26 10.099 5.134 0.736 1.00 0.00 C ATOM 214 CG ASP A 26 10.677 6.085 1.803 1.00 0.00 C ATOM 215 OD1 ASP A 26 10.202 6.032 2.926 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.559 6.862 1.472 1.00 0.00 O ATOM 0 H ASP A 26 8.734 3.905 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 26 8.056 5.466 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.158 4.104 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.696 5.194 -0.174 1.00 0.00 H new ATOM 221 N LYS A 27 8.508 6.988 -1.511 1.00 0.00 N ATOM 222 CA LYS A 27 8.468 8.282 -2.206 1.00 0.00 C ATOM 223 C LYS A 27 7.199 9.048 -1.840 1.00 0.00 C ATOM 224 O LYS A 27 7.260 10.177 -1.363 1.00 0.00 O ATOM 225 CB LYS A 27 8.518 8.054 -3.745 1.00 0.00 C ATOM 226 CG LYS A 27 8.758 9.390 -4.513 1.00 0.00 C ATOM 227 CD LYS A 27 8.886 9.150 -6.067 1.00 0.00 C ATOM 228 CE LYS A 27 10.344 8.799 -6.464 1.00 0.00 C ATOM 229 NZ LYS A 27 11.203 9.982 -6.184 1.00 0.00 N ATOM 0 H LYS A 27 8.503 6.177 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 27 9.332 8.870 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.313 7.348 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.582 7.605 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.934 10.076 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.665 9.866 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.220 8.342 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.566 10.044 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.693 7.934 -5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.396 8.533 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.742 10.230 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.606 10.787 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.862 9.757 -5.412 1.00 0.00 H new ATOM 243 N ILE A 28 6.041 8.405 -2.052 1.00 0.00 N ATOM 244 CA ILE A 28 4.744 9.029 -1.734 1.00 0.00 C ATOM 245 C ILE A 28 4.656 9.347 -0.238 1.00 0.00 C ATOM 246 O ILE A 28 4.144 10.392 0.153 1.00 0.00 O ATOM 247 CB ILE A 28 3.566 8.097 -2.180 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.756 6.655 -1.595 1.00 0.00 C ATOM 249 CG2 ILE A 28 3.507 8.022 -3.739 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.512 5.783 -1.837 1.00 0.00 C ATOM 0 H ILE A 28 5.974 7.463 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 28 4.662 9.966 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 28 2.633 8.514 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.626 6.186 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.956 6.718 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.686 7.372 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.348 9.021 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.446 7.621 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.677 4.790 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.648 6.240 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.329 5.700 -2.908 1.00 0.00 H new ATOM 262 N ALA A 29 5.148 8.424 0.589 1.00 0.00 N ATOM 263 CA ALA A 29 5.112 8.582 2.044 1.00 0.00 C ATOM 264 C ALA A 29 5.791 9.891 2.469 1.00 0.00 C ATOM 265 O ALA A 29 5.238 10.668 3.258 1.00 0.00 O ATOM 266 CB ALA A 29 5.825 7.381 2.701 1.00 0.00 C ATOM 0 H ALA A 29 5.578 7.555 0.274 1.00 0.00 H new ATOM 0 HA ALA A 29 4.073 8.619 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.802 7.493 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.317 6.458 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.860 7.343 2.362 1.00 0.00 H new ATOM 272 N ASP A 30 6.997 10.114 1.939 1.00 0.00 N ATOM 273 CA ASP A 30 7.775 11.310 2.258 1.00 0.00 C ATOM 274 C ASP A 30 7.127 12.582 1.686 1.00 0.00 C ATOM 275 O ASP A 30 7.142 13.628 2.324 1.00 0.00 O ATOM 276 CB ASP A 30 9.216 11.147 1.695 1.00 0.00 C ATOM 277 CG ASP A 30 10.168 12.172 2.322 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.682 13.163 2.855 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.363 11.950 2.264 1.00 0.00 O ATOM 0 H ASP A 30 7.455 9.479 1.285 1.00 0.00 H new ATOM 0 HA ASP A 30 7.806 11.419 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.577 10.139 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.204 11.271 0.612 1.00 0.00 H new ATOM 284 N ILE A 31 6.535 12.462 0.492 1.00 0.00 N ATOM 285 CA ILE A 31 5.849 13.592 -0.172 1.00 0.00 C ATOM 286 C ILE A 31 4.546 13.908 0.544 1.00 0.00 C ATOM 287 O ILE A 31 4.152 15.075 0.626 1.00 0.00 O ATOM 288 CB ILE A 31 5.560 13.265 -1.687 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.917 13.180 -2.471 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.631 14.359 -2.348 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.713 12.650 -3.908 1.00 0.00 C ATOM 0 H ILE A 31 6.514 11.593 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 31 6.506 14.461 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 31 5.040 12.308 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.378 14.167 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.606 12.526 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.452 14.102 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.680 14.398 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.119 15.332 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.675 12.605 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.276 11.652 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.044 13.318 -4.451 1.00 0.00 H new ATOM 303 N GLN A 32 3.846 12.867 1.012 1.00 0.00 N ATOM 304 CA GLN A 32 2.551 13.063 1.664 1.00 0.00 C ATOM 305 C GLN A 32 2.704 13.901 2.929 1.00 0.00 C ATOM 306 O GLN A 32 2.100 14.960 3.048 1.00 0.00 O ATOM 307 CB GLN A 32 1.916 11.687 2.027 1.00 0.00 C ATOM 308 CG GLN A 32 0.446 11.853 2.548 1.00 0.00 C ATOM 309 CD GLN A 32 -0.468 12.356 1.430 1.00 0.00 C ATOM 310 OE1 GLN A 32 -1.021 13.455 1.515 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.637 11.617 0.376 1.00 0.00 N ATOM 0 H GLN A 32 4.151 11.895 0.952 1.00 0.00 H new ATOM 0 HA GLN A 32 1.899 13.591 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.922 11.040 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.520 11.196 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.078 10.899 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.427 12.553 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.177 10.709 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.229 11.945 -0.387 1.00 0.00 H new ATOM 320 N GLU A 33 3.529 13.411 3.866 1.00 0.00 N ATOM 321 CA GLU A 33 3.757 14.109 5.138 1.00 0.00 C ATOM 322 C GLU A 33 4.344 15.481 4.887 1.00 0.00 C ATOM 323 O GLU A 33 3.816 16.477 5.384 1.00 0.00 O ATOM 324 CB GLU A 33 4.716 13.286 6.020 1.00 0.00 C ATOM 325 CG GLU A 33 4.081 11.914 6.364 1.00 0.00 C ATOM 326 CD GLU A 33 5.036 11.091 7.234 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.222 11.103 6.945 1.00 0.00 O ATOM 328 OE2 GLU A 33 4.571 10.473 8.176 1.00 0.00 O ATOM 0 H GLU A 33 4.047 12.538 3.767 1.00 0.00 H new ATOM 0 HA GLU A 33 2.802 14.224 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.662 13.137 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.938 13.832 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.137 12.063 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.853 11.370 5.447 1.00 0.00 H new ATOM 335 N ALA A 34 5.503 15.518 4.208 1.00 0.00 N ATOM 336 CA ALA A 34 6.219 16.775 3.994 1.00 0.00 C ATOM 337 C ALA A 34 5.247 17.876 3.592 1.00 0.00 C ATOM 338 O ALA A 34 5.121 18.831 4.323 1.00 0.00 O ATOM 339 CB ALA A 34 7.287 16.580 2.898 1.00 0.00 C ATOM 0 H ALA A 34 5.956 14.698 3.804 1.00 0.00 H new ATOM 0 HA ALA A 34 6.708 17.070 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.820 17.517 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.992 15.810 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.804 16.275 1.970 1.00 0.00 H new ATOM 345 N LEU A 35 4.510 17.675 2.495 1.00 0.00 N ATOM 346 CA LEU A 35 3.491 18.641 2.057 1.00 0.00 C ATOM 347 C LEU A 35 2.323 18.740 3.065 1.00 0.00 C ATOM 348 O LEU A 35 1.987 19.827 3.534 1.00 0.00 O ATOM 349 CB LEU A 35 2.928 18.180 0.685 1.00 0.00 C ATOM 350 CG LEU A 35 1.813 19.168 0.117 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.455 20.401 -0.578 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.858 18.399 -0.846 1.00 0.00 C ATOM 0 H LEU A 35 4.598 16.856 1.894 1.00 0.00 H new ATOM 0 HA LEU A 35 3.960 19.622 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.745 18.108 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.505 17.181 0.787 1.00 0.00 H new ATOM 0 HG LEU A 35 1.223 19.545 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.670 21.056 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.068 20.945 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.078 20.067 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.100 19.082 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.432 17.991 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.374 17.586 -0.305 1.00 0.00 H new ATOM 364 N ALA A 36 1.650 17.604 3.325 1.00 0.00 N ATOM 365 CA ALA A 36 0.461 17.597 4.216 1.00 0.00 C ATOM 366 C ALA A 36 0.767 18.347 5.513 1.00 0.00 C ATOM 367 O ALA A 36 0.124 19.341 5.851 1.00 0.00 O ATOM 368 CB ALA A 36 0.015 16.150 4.527 1.00 0.00 C ATOM 0 H ALA A 36 1.898 16.692 2.942 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.355 18.103 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.857 16.171 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.240 15.640 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.827 15.617 5.022 1.00 0.00 H new ATOM 374 N HIS A 37 1.788 17.864 6.203 1.00 0.00 N ATOM 375 CA HIS A 37 2.258 18.464 7.445 1.00 0.00 C ATOM 376 C HIS A 37 3.128 19.694 7.130 1.00 0.00 C ATOM 377 O HIS A 37 3.941 20.085 7.971 1.00 0.00 O ATOM 378 CB HIS A 37 3.079 17.423 8.265 1.00 0.00 C ATOM 379 CG HIS A 37 3.337 17.955 9.657 1.00 0.00 C ATOM 380 ND1 HIS A 37 2.295 18.360 10.474 1.00 0.00 N ATOM 381 CD2 HIS A 37 4.488 18.210 10.362 1.00 0.00 C ATOM 382 CE1 HIS A 37 2.828 18.840 11.607 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.161 18.772 11.595 1.00 0.00 N ATOM 0 H HIS A 37 2.318 17.041 5.917 1.00 0.00 H new ATOM 0 HA HIS A 37 1.399 18.777 8.038 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.535 16.480 8.321 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.025 17.216 7.764 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.490 18.007 10.015 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.249 19.234 12.429 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.803 19.068 12.330 1.00 0.00 H new ATOM 391 N ALA A 38 2.949 20.335 5.931 1.00 0.00 N ATOM 392 CA ALA A 38 3.746 21.553 5.584 1.00 0.00 C ATOM 393 C ALA A 38 2.900 22.796 5.682 1.00 0.00 C ATOM 394 O ALA A 38 3.284 23.699 6.420 1.00 0.00 O ATOM 395 CB ALA A 38 4.304 21.539 4.110 1.00 0.00 C ATOM 0 H ALA A 38 2.285 20.040 5.215 1.00 0.00 H new ATOM 0 HA ALA A 38 4.571 21.551 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.871 22.451 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.954 20.674 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.473 21.481 3.407 1.00 0.00 H new ATOM 401 N ASP A 39 1.742 22.806 4.925 1.00 0.00 N ATOM 402 CA ASP A 39 0.770 23.960 4.837 1.00 0.00 C ATOM 403 C ASP A 39 1.255 25.180 5.646 1.00 0.00 C ATOM 404 O ASP A 39 0.537 25.739 6.472 1.00 0.00 O ATOM 405 CB ASP A 39 -0.648 23.515 5.297 1.00 0.00 C ATOM 406 CG ASP A 39 -0.590 22.912 6.701 1.00 0.00 C ATOM 407 OD1 ASP A 39 0.129 23.448 7.527 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.265 21.920 6.930 1.00 0.00 O ATOM 0 H ASP A 39 1.458 22.008 4.357 1.00 0.00 H new ATOM 0 HA ASP A 39 0.715 24.267 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.324 24.370 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.051 22.783 4.597 1.00 0.00 H new ATOM 413 N ALA A 40 2.546 25.515 5.437 1.00 0.00 N ATOM 414 CA ALA A 40 3.215 26.572 6.178 1.00 0.00 C ATOM 415 C ALA A 40 2.580 27.899 5.861 1.00 0.00 C ATOM 416 O ALA A 40 2.198 28.649 6.766 1.00 0.00 O ATOM 417 CB ALA A 40 4.724 26.577 5.822 1.00 0.00 C ATOM 0 H ALA A 40 3.141 25.054 4.749 1.00 0.00 H new ATOM 0 HA ALA A 40 3.112 26.394 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.226 27.369 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.163 25.615 6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.845 26.750 4.753 1.00 0.00 H new ATOM 423 N ASN A 41 2.460 28.189 4.561 1.00 0.00 N ATOM 424 CA ASN A 41 1.852 29.443 4.144 1.00 0.00 C ATOM 425 C ASN A 41 0.332 29.338 4.282 1.00 0.00 C ATOM 426 O ASN A 41 -0.356 30.358 4.301 1.00 0.00 O ATOM 427 CB ASN A 41 2.253 29.689 2.669 1.00 0.00 C ATOM 428 CG ASN A 41 1.818 28.519 1.770 1.00 0.00 C ATOM 429 OD1 ASN A 41 1.457 27.445 2.259 1.00 0.00 O ATOM 430 ND2 ASN A 41 1.832 28.671 0.476 1.00 0.00 N ATOM 0 H ASN A 41 2.770 27.584 3.800 1.00 0.00 H new ATOM 0 HA ASN A 41 2.192 30.273 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.795 30.613 2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.333 29.821 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.545 27.903 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.130 29.558 0.070 1.00 0.00 H new ATOM 437 N ALA A 42 -0.192 28.096 4.395 1.00 0.00 N ATOM 438 CA ALA A 42 -1.647 27.872 4.534 1.00 0.00 C ATOM 439 C ALA A 42 -2.441 28.697 3.495 1.00 0.00 C ATOM 440 O ALA A 42 -3.299 29.504 3.861 1.00 0.00 O ATOM 441 CB ALA A 42 -2.070 28.257 5.970 1.00 0.00 C ATOM 0 H ALA A 42 0.366 27.242 4.393 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.868 26.821 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.142 28.097 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.529 27.639 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.838 29.307 6.149 1.00 0.00 H new ATOM 447 N ASP A 43 -2.130 28.498 2.198 1.00 0.00 N ATOM 448 CA ASP A 43 -2.797 29.244 1.094 1.00 0.00 C ATOM 449 C ASP A 43 -3.815 28.347 0.381 1.00 0.00 C ATOM 450 O ASP A 43 -4.556 28.813 -0.485 1.00 0.00 O ATOM 451 CB ASP A 43 -1.707 29.811 0.104 1.00 0.00 C ATOM 452 CG ASP A 43 -2.036 31.261 -0.304 1.00 0.00 C ATOM 453 OD1 ASP A 43 -3.200 31.533 -0.547 1.00 0.00 O ATOM 454 OD2 ASP A 43 -1.120 32.068 -0.367 1.00 0.00 O ATOM 0 H ASP A 43 -1.425 27.831 1.883 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.349 30.090 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.726 29.776 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.654 29.182 -0.785 1.00 0.00 H new ATOM 459 N GLN A 44 -3.824 27.068 0.753 1.00 0.00 N ATOM 460 CA GLN A 44 -4.731 26.060 0.188 1.00 0.00 C ATOM 461 C GLN A 44 -4.517 25.890 -1.310 1.00 0.00 C ATOM 462 O GLN A 44 -5.271 25.171 -1.960 1.00 0.00 O ATOM 463 CB GLN A 44 -6.208 26.455 0.480 1.00 0.00 C ATOM 464 CG GLN A 44 -6.410 26.660 2.007 1.00 0.00 C ATOM 465 CD GLN A 44 -7.853 27.075 2.305 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.276 28.164 1.912 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.630 26.276 2.977 1.00 0.00 N ATOM 0 H GLN A 44 -3.195 26.694 1.464 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.511 25.104 0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.461 27.370 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.880 25.677 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.173 25.738 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.723 27.424 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.278 25.375 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.591 26.550 3.179 1.00 0.00 H new ATOM 476 N HIS A 45 -3.484 26.560 -1.842 1.00 0.00 N ATOM 477 CA HIS A 45 -3.136 26.502 -3.272 1.00 0.00 C ATOM 478 C HIS A 45 -1.639 26.267 -3.397 1.00 0.00 C ATOM 479 O HIS A 45 -0.869 26.757 -2.569 1.00 0.00 O ATOM 480 CB HIS A 45 -3.582 27.812 -3.984 1.00 0.00 C ATOM 481 CG HIS A 45 -2.637 28.966 -3.691 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.273 28.916 -3.969 1.00 0.00 N ATOM 483 CD2 HIS A 45 -2.851 30.171 -3.113 1.00 0.00 C ATOM 484 CE1 HIS A 45 -0.727 30.062 -3.545 1.00 0.00 C ATOM 485 NE2 HIS A 45 -1.644 30.869 -3.017 1.00 0.00 N ATOM 0 H HIS A 45 -2.865 27.158 -1.294 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.659 25.679 -3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.627 27.643 -5.060 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.589 28.076 -3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.810 30.538 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.323 30.301 -3.622 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.497 31.799 -2.625 1.00 0.00 H new ATOM 493 N LEU A 46 -1.246 25.510 -4.424 1.00 0.00 N ATOM 494 CA LEU A 46 0.164 25.170 -4.662 1.00 0.00 C ATOM 495 C LEU A 46 0.619 25.575 -6.064 1.00 0.00 C ATOM 496 O LEU A 46 0.195 24.973 -7.053 1.00 0.00 O ATOM 497 CB LEU A 46 0.316 23.638 -4.507 1.00 0.00 C ATOM 498 CG LEU A 46 -0.250 23.135 -3.130 1.00 0.00 C ATOM 499 CD1 LEU A 46 -0.228 21.586 -3.101 1.00 0.00 C ATOM 500 CD2 LEU A 46 0.581 23.700 -1.927 1.00 0.00 C ATOM 0 H LEU A 46 -1.889 25.116 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 46 0.781 25.711 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.207 23.136 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.368 23.366 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.273 23.496 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.620 21.234 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.845 21.198 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.796 21.234 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.162 23.332 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.617 23.372 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.543 24.789 -1.938 1.00 0.00 H new ATOM 512 N ASP A 47 1.531 26.555 -6.122 1.00 0.00 N ATOM 513 CA ASP A 47 2.132 27.014 -7.374 1.00 0.00 C ATOM 514 C ASP A 47 3.520 26.379 -7.453 1.00 0.00 C ATOM 515 O ASP A 47 3.955 25.696 -6.521 1.00 0.00 O ATOM 516 CB ASP A 47 2.228 28.561 -7.394 1.00 0.00 C ATOM 517 CG ASP A 47 2.997 29.075 -6.170 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.632 28.699 -5.067 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.935 29.835 -6.352 1.00 0.00 O ATOM 0 H ASP A 47 1.871 27.051 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 47 1.526 26.723 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.728 28.887 -8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.227 28.992 -7.407 1.00 0.00 H new ATOM 524 N PHE A 48 4.186 26.567 -8.577 1.00 0.00 N ATOM 525 CA PHE A 48 5.517 25.987 -8.824 1.00 0.00 C ATOM 526 C PHE A 48 6.498 26.172 -7.664 1.00 0.00 C ATOM 527 O PHE A 48 7.155 25.217 -7.247 1.00 0.00 O ATOM 528 CB PHE A 48 6.136 26.658 -10.110 1.00 0.00 C ATOM 529 CG PHE A 48 6.207 25.651 -11.271 1.00 0.00 C ATOM 530 CD1 PHE A 48 7.321 24.792 -11.384 1.00 0.00 C ATOM 531 CD2 PHE A 48 5.161 25.565 -12.212 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.387 23.866 -12.426 1.00 0.00 C ATOM 533 CE2 PHE A 48 5.233 24.637 -13.252 1.00 0.00 C ATOM 534 CZ PHE A 48 6.348 23.790 -13.360 1.00 0.00 C ATOM 0 H PHE A 48 3.829 27.125 -9.353 1.00 0.00 H new ATOM 0 HA PHE A 48 5.369 24.914 -8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.533 27.517 -10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.135 27.032 -9.886 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.123 24.851 -10.663 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.304 26.217 -12.128 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.240 23.208 -12.511 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.432 24.570 -13.973 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.404 23.076 -14.168 1.00 0.00 H new ATOM 544 N ASP A 49 6.640 27.409 -7.185 1.00 0.00 N ATOM 545 CA ASP A 49 7.599 27.716 -6.122 1.00 0.00 C ATOM 546 C ASP A 49 7.411 26.802 -4.918 1.00 0.00 C ATOM 547 O ASP A 49 8.347 26.128 -4.485 1.00 0.00 O ATOM 548 CB ASP A 49 7.399 29.188 -5.694 1.00 0.00 C ATOM 549 CG ASP A 49 7.536 30.113 -6.910 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.494 29.948 -7.645 1.00 0.00 O ATOM 551 OD2 ASP A 49 6.679 30.967 -7.088 1.00 0.00 O ATOM 0 H ASP A 49 6.105 28.212 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 49 8.608 27.558 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.415 29.313 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.135 29.458 -4.937 1.00 0.00 H new ATOM 556 N GLU A 50 6.178 26.784 -4.405 1.00 0.00 N ATOM 557 CA GLU A 50 5.851 25.954 -3.254 1.00 0.00 C ATOM 558 C GLU A 50 6.103 24.483 -3.581 1.00 0.00 C ATOM 559 O GLU A 50 6.786 23.799 -2.852 1.00 0.00 O ATOM 560 CB GLU A 50 4.353 26.141 -2.845 1.00 0.00 C ATOM 561 CG GLU A 50 4.064 25.499 -1.442 1.00 0.00 C ATOM 562 CD GLU A 50 4.785 26.265 -0.318 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.011 27.457 -0.480 1.00 0.00 O ATOM 564 OE2 GLU A 50 5.122 25.643 0.674 1.00 0.00 O ATOM 0 H GLU A 50 5.398 27.332 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 50 6.487 26.260 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.110 27.203 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.708 25.685 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.990 25.498 -1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.388 24.458 -1.442 1.00 0.00 H new ATOM 571 N TRP A 51 5.557 24.022 -4.708 1.00 0.00 N ATOM 572 CA TRP A 51 5.720 22.618 -5.116 1.00 0.00 C ATOM 573 C TRP A 51 7.192 22.250 -5.270 1.00 0.00 C ATOM 574 O TRP A 51 7.687 21.328 -4.612 1.00 0.00 O ATOM 575 CB TRP A 51 4.961 22.374 -6.444 1.00 0.00 C ATOM 576 CG TRP A 51 4.877 20.894 -6.727 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.486 20.230 -7.746 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.165 19.890 -5.952 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.165 18.892 -7.657 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.355 18.634 -6.571 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.370 19.938 -4.783 1.00 0.00 C ATOM 582 CZ2 TRP A 51 3.783 17.471 -6.061 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.804 18.765 -4.270 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.005 17.534 -4.905 1.00 0.00 C ATOM 0 H TRP A 51 5.004 24.589 -5.350 1.00 0.00 H new ATOM 0 HA TRP A 51 5.303 21.982 -4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.959 22.798 -6.383 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.472 22.881 -7.263 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.117 20.677 -8.500 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.487 18.181 -8.313 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.199 20.881 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.941 16.525 -6.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.205 18.810 -3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.560 16.637 -4.502 1.00 0.00 H new ATOM 595 N ARG A 52 7.874 22.959 -6.163 1.00 0.00 N ATOM 596 CA ARG A 52 9.279 22.694 -6.435 1.00 0.00 C ATOM 597 C ARG A 52 10.113 22.667 -5.155 1.00 0.00 C ATOM 598 O ARG A 52 10.761 21.691 -4.873 1.00 0.00 O ATOM 599 CB ARG A 52 9.854 23.802 -7.375 1.00 0.00 C ATOM 600 CG ARG A 52 11.349 23.512 -7.758 1.00 0.00 C ATOM 601 CD ARG A 52 11.907 24.630 -8.654 1.00 0.00 C ATOM 602 NE ARG A 52 11.155 24.682 -9.908 1.00 0.00 N ATOM 603 CZ ARG A 52 11.406 25.602 -10.848 1.00 0.00 C ATOM 604 NH1 ARG A 52 12.343 26.498 -10.661 1.00 0.00 N ATOM 605 NH2 ARG A 52 10.716 25.602 -11.950 1.00 0.00 N ATOM 0 H ARG A 52 7.475 23.722 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 52 9.337 21.714 -6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.250 23.862 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.785 24.771 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.952 23.429 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.418 22.555 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.840 25.588 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.962 24.451 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 52 10.417 23.997 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.885 26.497 -9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.531 27.197 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.987 24.903 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.903 26.301 -12.669 1.00 0.00 H new ATOM 619 N GLN A 53 10.049 23.750 -4.391 1.00 0.00 N ATOM 620 CA GLN A 53 10.829 23.864 -3.154 1.00 0.00 C ATOM 621 C GLN A 53 10.434 22.816 -2.110 1.00 0.00 C ATOM 622 O GLN A 53 11.302 22.260 -1.433 1.00 0.00 O ATOM 623 CB GLN A 53 10.667 25.294 -2.571 1.00 0.00 C ATOM 624 CG GLN A 53 11.675 25.530 -1.405 1.00 0.00 C ATOM 625 CD GLN A 53 11.539 26.941 -0.842 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.425 27.435 -0.669 1.00 0.00 O ATOM 627 NE2 GLN A 53 12.613 27.613 -0.535 1.00 0.00 N ATOM 0 H GLN A 53 9.469 24.562 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 53 11.874 23.679 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.831 26.033 -3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.648 25.432 -2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.499 24.801 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.693 25.374 -1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.533 27.198 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.533 28.554 -0.149 1.00 0.00 H new ATOM 636 N GLU A 54 9.130 22.580 -1.965 1.00 0.00 N ATOM 637 CA GLU A 54 8.636 21.623 -0.966 1.00 0.00 C ATOM 638 C GLU A 54 9.128 20.203 -1.278 1.00 0.00 C ATOM 639 O GLU A 54 9.737 19.546 -0.432 1.00 0.00 O ATOM 640 CB GLU A 54 7.070 21.654 -0.910 1.00 0.00 C ATOM 641 CG GLU A 54 6.510 21.076 0.423 1.00 0.00 C ATOM 642 CD GLU A 54 6.928 19.625 0.625 1.00 0.00 C ATOM 643 OE1 GLU A 54 6.257 18.753 0.101 1.00 0.00 O ATOM 644 OE2 GLU A 54 7.929 19.415 1.286 1.00 0.00 O ATOM 0 H GLU A 54 8.401 23.031 -2.518 1.00 0.00 H new ATOM 0 HA GLU A 54 9.029 21.915 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.726 22.681 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.668 21.083 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.866 21.678 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.422 21.145 0.422 1.00 0.00 H new ATOM 651 N LEU A 55 8.866 19.742 -2.503 1.00 0.00 N ATOM 652 CA LEU A 55 9.276 18.394 -2.935 1.00 0.00 C ATOM 653 C LEU A 55 10.762 18.308 -3.214 1.00 0.00 C ATOM 654 O LEU A 55 11.330 17.230 -3.144 1.00 0.00 O ATOM 655 CB LEU A 55 8.505 17.954 -4.236 1.00 0.00 C ATOM 656 CG LEU A 55 7.179 17.167 -3.914 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.094 18.122 -3.366 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.688 16.415 -5.183 1.00 0.00 C ATOM 0 H LEU A 55 8.372 20.278 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 55 9.030 17.727 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.265 18.837 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.156 17.328 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 55 7.384 16.429 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.187 17.557 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.453 18.594 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.876 18.889 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.771 15.873 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.495 17.133 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.454 15.711 -5.508 1.00 0.00 H new ATOM 670 N LYS A 56 11.388 19.408 -3.597 1.00 0.00 N ATOM 671 CA LYS A 56 12.809 19.361 -3.953 1.00 0.00 C ATOM 672 C LYS A 56 13.673 18.788 -2.830 1.00 0.00 C ATOM 673 O LYS A 56 14.537 17.939 -3.084 1.00 0.00 O ATOM 674 CB LYS A 56 13.309 20.779 -4.319 1.00 0.00 C ATOM 675 CG LYS A 56 14.822 20.784 -4.650 1.00 0.00 C ATOM 676 CD LYS A 56 15.282 22.205 -5.062 1.00 0.00 C ATOM 677 CE LYS A 56 16.790 22.182 -5.374 1.00 0.00 C ATOM 678 NZ LYS A 56 17.025 21.188 -6.456 1.00 0.00 N ATOM 0 H LYS A 56 10.953 20.328 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 56 12.903 18.696 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.748 21.153 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.116 21.459 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.391 20.448 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.026 20.081 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.723 22.541 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.076 22.913 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.129 23.170 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.359 21.916 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.921 21.404 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.073 20.233 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.245 21.231 -7.142 1.00 0.00 H new ATOM 692 N CYS A 57 13.464 19.271 -1.607 1.00 0.00 N ATOM 693 CA CYS A 57 14.265 18.836 -0.463 1.00 0.00 C ATOM 694 C CYS A 57 14.128 17.333 -0.197 1.00 0.00 C ATOM 695 O CYS A 57 14.784 16.799 0.695 1.00 0.00 O ATOM 696 CB CYS A 57 13.852 19.659 0.776 1.00 0.00 C ATOM 697 SG CYS A 57 15.053 19.410 2.114 1.00 0.00 S ATOM 0 H CYS A 57 12.749 19.962 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 57 15.317 19.011 -0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.796 20.717 0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.858 19.359 1.108 1.00 0.00 H new ATOM 0 HG CYS A 57 15.485 18.184 2.087 1.00 0.00 H new ATOM 703 N ARG A 58 13.273 16.659 -0.982 1.00 0.00 N ATOM 704 CA ARG A 58 13.036 15.209 -0.845 1.00 0.00 C ATOM 705 C ARG A 58 13.960 14.430 -1.776 1.00 0.00 C ATOM 706 O ARG A 58 13.800 13.222 -1.949 1.00 0.00 O ATOM 707 CB ARG A 58 11.553 14.893 -1.181 1.00 0.00 C ATOM 708 CG ARG A 58 10.600 15.812 -0.344 1.00 0.00 C ATOM 709 CD ARG A 58 10.786 15.591 1.190 1.00 0.00 C ATOM 710 NE ARG A 58 11.849 16.454 1.738 1.00 0.00 N ATOM 711 CZ ARG A 58 12.242 16.365 3.028 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.695 15.485 3.832 1.00 0.00 N ATOM 713 NH2 ARG A 58 13.176 17.153 3.483 1.00 0.00 N ATOM 0 H ARG A 58 12.729 17.098 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 58 13.247 14.909 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.374 15.045 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.340 13.846 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.795 16.856 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.565 15.609 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.847 15.798 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.031 14.546 1.381 1.00 0.00 H new ATOM 0 HE ARG A 58 12.299 17.136 1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.967 14.861 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.998 15.425 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.611 17.838 2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.471 17.084 4.457 1.00 0.00 H new ATOM 727 N GLY A 59 14.929 15.131 -2.385 1.00 0.00 N ATOM 728 CA GLY A 59 15.892 14.513 -3.312 1.00 0.00 C ATOM 729 C GLY A 59 15.396 14.594 -4.748 1.00 0.00 C ATOM 730 O GLY A 59 16.002 14.015 -5.652 1.00 0.00 O ATOM 0 H GLY A 59 15.067 16.133 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.856 15.014 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.050 13.470 -3.036 1.00 0.00 H new ATOM 734 N HIS A 60 14.290 15.328 -4.965 1.00 0.00 N ATOM 735 CA HIS A 60 13.714 15.496 -6.317 1.00 0.00 C ATOM 736 C HIS A 60 14.363 16.709 -6.997 1.00 0.00 C ATOM 737 O HIS A 60 14.560 17.747 -6.369 1.00 0.00 O ATOM 738 CB HIS A 60 12.179 15.699 -6.214 1.00 0.00 C ATOM 739 CG HIS A 60 11.545 14.482 -5.584 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.118 13.834 -4.502 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.402 13.780 -5.880 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.330 12.792 -4.191 1.00 0.00 C ATOM 743 NE2 HIS A 60 10.268 12.713 -4.999 1.00 0.00 N ATOM 0 H HIS A 60 13.778 15.813 -4.228 1.00 0.00 H new ATOM 0 HA HIS A 60 13.910 14.603 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 60 11.959 16.585 -5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.758 15.868 -7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 60 9.713 14.020 -6.676 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.530 12.101 -3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.521 12.019 -4.974 1.00 0.00 H new ATOM 751 N ALA A 61 14.688 16.569 -8.289 1.00 0.00 N ATOM 752 CA ALA A 61 15.307 17.649 -9.079 1.00 0.00 C ATOM 753 C ALA A 61 14.212 18.416 -9.822 1.00 0.00 C ATOM 754 O ALA A 61 13.200 17.836 -10.202 1.00 0.00 O ATOM 755 CB ALA A 61 16.303 17.034 -10.087 1.00 0.00 C ATOM 0 H ALA A 61 14.532 15.710 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 61 15.842 18.335 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.764 17.828 -10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.076 16.487 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.773 16.352 -10.752 1.00 0.00 H new ATOM 761 N ASP A 62 14.428 19.719 -10.045 1.00 0.00 N ATOM 762 CA ASP A 62 13.450 20.559 -10.754 1.00 0.00 C ATOM 763 C ASP A 62 13.162 19.989 -12.151 1.00 0.00 C ATOM 764 O ASP A 62 12.047 20.111 -12.656 1.00 0.00 O ATOM 765 CB ASP A 62 14.005 22.000 -10.872 1.00 0.00 C ATOM 766 CG ASP A 62 13.019 22.923 -11.609 1.00 0.00 C ATOM 767 OD1 ASP A 62 11.825 22.728 -11.452 1.00 0.00 O ATOM 768 OD2 ASP A 62 13.476 23.797 -12.328 1.00 0.00 O ATOM 0 H ASP A 62 15.268 20.214 -9.746 1.00 0.00 H new ATOM 0 HA ASP A 62 12.517 20.572 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.203 22.398 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.956 21.983 -11.404 1.00 0.00 H new ATOM 773 N ALA A 63 14.178 19.381 -12.767 1.00 0.00 N ATOM 774 CA ALA A 63 14.036 18.795 -14.106 1.00 0.00 C ATOM 775 C ALA A 63 13.052 17.618 -14.084 1.00 0.00 C ATOM 776 O ALA A 63 12.139 17.544 -14.910 1.00 0.00 O ATOM 777 CB ALA A 63 15.419 18.316 -14.604 1.00 0.00 C ATOM 0 H ALA A 63 15.109 19.280 -12.362 1.00 0.00 H new ATOM 0 HA ALA A 63 13.644 19.554 -14.783 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.317 17.880 -15.598 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.103 19.163 -14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.813 17.566 -13.918 1.00 0.00 H new ATOM 783 N ASP A 64 13.253 16.691 -13.134 1.00 0.00 N ATOM 784 CA ASP A 64 12.393 15.505 -13.008 1.00 0.00 C ATOM 785 C ASP A 64 10.971 15.894 -12.597 1.00 0.00 C ATOM 786 O ASP A 64 10.019 15.186 -12.921 1.00 0.00 O ATOM 787 CB ASP A 64 13.000 14.524 -11.968 1.00 0.00 C ATOM 788 CG ASP A 64 12.212 13.201 -11.930 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.310 12.454 -12.890 1.00 0.00 O ATOM 790 OD2 ASP A 64 11.514 12.969 -10.957 1.00 0.00 O ATOM 0 H ASP A 64 14.002 16.740 -12.444 1.00 0.00 H new ATOM 0 HA ASP A 64 12.340 15.015 -13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.042 14.323 -12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.991 14.985 -10.980 1.00 0.00 H new ATOM 795 N ILE A 65 10.827 17.024 -11.883 1.00 0.00 N ATOM 796 CA ILE A 65 9.502 17.495 -11.436 1.00 0.00 C ATOM 797 C ILE A 65 8.633 17.828 -12.658 1.00 0.00 C ATOM 798 O ILE A 65 7.415 17.833 -12.581 1.00 0.00 O ATOM 799 CB ILE A 65 9.679 18.738 -10.482 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.192 18.261 -9.057 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.343 19.560 -10.313 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.701 19.443 -8.191 1.00 0.00 C ATOM 0 H ILE A 65 11.603 17.624 -11.604 1.00 0.00 H new ATOM 0 HA ILE A 65 8.995 16.712 -10.873 1.00 0.00 H new ATOM 0 HB ILE A 65 10.415 19.395 -10.945 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.383 17.751 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.995 17.535 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.518 20.405 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.016 19.926 -11.286 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.572 18.917 -9.889 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.041 19.067 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.528 19.937 -8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.891 20.157 -8.037 1.00 0.00 H new ATOM 814 N GLU A 66 9.252 18.158 -13.783 1.00 0.00 N ATOM 815 CA GLU A 66 8.475 18.508 -14.985 1.00 0.00 C ATOM 816 C GLU A 66 7.561 17.331 -15.386 1.00 0.00 C ATOM 817 O GLU A 66 6.489 17.527 -15.956 1.00 0.00 O ATOM 818 CB GLU A 66 9.449 18.843 -16.134 1.00 0.00 C ATOM 819 CG GLU A 66 10.332 20.064 -15.754 1.00 0.00 C ATOM 820 CD GLU A 66 11.308 20.385 -16.889 1.00 0.00 C ATOM 821 OE1 GLU A 66 11.887 19.451 -17.420 1.00 0.00 O ATOM 822 OE2 GLU A 66 11.459 21.553 -17.212 1.00 0.00 O ATOM 0 H GLU A 66 10.265 18.194 -13.898 1.00 0.00 H new ATOM 0 HA GLU A 66 7.848 19.375 -14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.081 17.981 -16.347 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.889 19.060 -17.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.701 20.929 -15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.885 19.852 -14.839 1.00 0.00 H new ATOM 829 N ALA A 67 8.014 16.110 -15.066 1.00 0.00 N ATOM 830 CA ALA A 67 7.269 14.876 -15.373 1.00 0.00 C ATOM 831 C ALA A 67 6.087 14.671 -14.415 1.00 0.00 C ATOM 832 O ALA A 67 4.988 14.311 -14.843 1.00 0.00 O ATOM 833 CB ALA A 67 8.230 13.668 -15.261 1.00 0.00 C ATOM 0 H ALA A 67 8.901 15.948 -14.590 1.00 0.00 H new ATOM 0 HA ALA A 67 6.871 14.962 -16.384 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.688 12.750 -15.486 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.050 13.788 -15.969 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.630 13.614 -14.248 1.00 0.00 H new ATOM 839 N VAL A 68 6.327 14.882 -13.109 1.00 0.00 N ATOM 840 CA VAL A 68 5.292 14.699 -12.083 1.00 0.00 C ATOM 841 C VAL A 68 4.200 15.746 -12.239 1.00 0.00 C ATOM 842 O VAL A 68 3.100 15.578 -11.737 1.00 0.00 O ATOM 843 CB VAL A 68 5.902 14.754 -10.629 1.00 0.00 C ATOM 844 CG1 VAL A 68 7.199 13.894 -10.587 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.208 16.229 -10.178 1.00 0.00 C ATOM 0 H VAL A 68 7.231 15.180 -12.741 1.00 0.00 H new ATOM 0 HA VAL A 68 4.856 13.710 -12.224 1.00 0.00 H new ATOM 0 HB VAL A 68 5.167 14.352 -9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.626 13.928 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.960 12.862 -10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.921 14.289 -11.302 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.627 16.222 -9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.924 16.679 -10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.286 16.810 -10.183 1.00 0.00 H new ATOM 855 N PHE A 69 4.540 16.875 -12.873 1.00 0.00 N ATOM 856 CA PHE A 69 3.586 17.979 -13.024 1.00 0.00 C ATOM 857 C PHE A 69 2.361 17.546 -13.853 1.00 0.00 C ATOM 858 O PHE A 69 1.267 17.411 -13.328 1.00 0.00 O ATOM 859 CB PHE A 69 4.313 19.182 -13.709 1.00 0.00 C ATOM 860 CG PHE A 69 3.523 20.486 -13.456 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.591 21.092 -12.183 1.00 0.00 C ATOM 862 CD2 PHE A 69 2.719 21.066 -14.458 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.869 22.259 -11.919 1.00 0.00 C ATOM 864 CE2 PHE A 69 1.996 22.234 -14.185 1.00 0.00 C ATOM 865 CZ PHE A 69 2.070 22.831 -12.917 1.00 0.00 C ATOM 0 H PHE A 69 5.457 17.047 -13.285 1.00 0.00 H new ATOM 0 HA PHE A 69 3.225 18.277 -12.040 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.325 19.278 -13.317 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.402 19.002 -14.780 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.203 20.652 -11.410 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.661 20.610 -15.435 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.927 22.720 -10.944 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.379 22.677 -14.953 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.511 23.732 -12.711 1.00 0.00 H new ATOM 875 N ALA A 70 2.590 17.246 -15.130 1.00 0.00 N ATOM 876 CA ALA A 70 1.537 16.782 -16.050 1.00 0.00 C ATOM 877 C ALA A 70 0.763 15.585 -15.482 1.00 0.00 C ATOM 878 O ALA A 70 -0.303 15.228 -15.984 1.00 0.00 O ATOM 879 CB ALA A 70 2.167 16.403 -17.410 1.00 0.00 C ATOM 0 H ALA A 70 3.511 17.316 -15.563 1.00 0.00 H new ATOM 0 HA ALA A 70 0.827 17.598 -16.182 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.387 16.060 -18.089 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.662 17.275 -17.837 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.897 15.607 -17.264 1.00 0.00 H new ATOM 885 N LYS A 71 1.359 14.940 -14.473 1.00 0.00 N ATOM 886 CA LYS A 71 0.749 13.731 -13.889 1.00 0.00 C ATOM 887 C LYS A 71 -0.702 13.994 -13.443 1.00 0.00 C ATOM 888 O LYS A 71 -1.620 13.319 -13.905 1.00 0.00 O ATOM 889 CB LYS A 71 1.591 13.273 -12.675 1.00 0.00 C ATOM 890 CG LYS A 71 1.251 11.818 -12.264 1.00 0.00 C ATOM 891 CD LYS A 71 2.175 11.350 -11.105 1.00 0.00 C ATOM 892 CE LYS A 71 1.829 9.900 -10.702 1.00 0.00 C ATOM 893 NZ LYS A 71 2.711 9.473 -9.587 1.00 0.00 N ATOM 0 H LYS A 71 2.242 15.223 -14.049 1.00 0.00 H new ATOM 0 HA LYS A 71 0.731 12.951 -14.651 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.651 13.345 -12.918 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.411 13.941 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.208 11.756 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.368 11.155 -13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.218 11.410 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.058 12.012 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.784 9.835 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.955 9.234 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.479 8.496 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.704 9.520 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.569 10.103 -8.771 1.00 0.00 H new ATOM 907 N TYR A 72 -0.893 14.999 -12.561 1.00 0.00 N ATOM 908 CA TYR A 72 -2.234 15.391 -12.054 1.00 0.00 C ATOM 909 C TYR A 72 -2.584 16.806 -12.501 1.00 0.00 C ATOM 910 O TYR A 72 -3.638 17.325 -12.135 1.00 0.00 O ATOM 911 CB TYR A 72 -2.252 15.308 -10.506 1.00 0.00 C ATOM 912 CG TYR A 72 -1.939 13.866 -10.061 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.869 12.841 -10.336 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.740 13.545 -9.379 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.605 11.531 -9.934 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.493 12.227 -8.978 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.424 11.226 -9.255 1.00 0.00 C ATOM 918 OH TYR A 72 -1.172 9.933 -8.860 1.00 0.00 O ATOM 0 H TYR A 72 -0.131 15.560 -12.180 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.976 14.705 -12.463 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.518 15.996 -10.086 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.228 15.613 -10.127 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.786 13.071 -10.858 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.016 14.318 -9.168 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.318 10.749 -10.149 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.419 11.985 -8.454 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.638 9.752 -8.017 1.00 0.00 H new ATOM 928 N ASP A 73 -1.694 17.423 -13.291 1.00 0.00 N ATOM 929 CA ASP A 73 -1.902 18.798 -13.795 1.00 0.00 C ATOM 930 C ASP A 73 -2.390 18.743 -15.225 1.00 0.00 C ATOM 931 O ASP A 73 -1.638 19.023 -16.168 1.00 0.00 O ATOM 932 CB ASP A 73 -0.574 19.590 -13.695 1.00 0.00 C ATOM 933 CG ASP A 73 -0.040 19.524 -12.266 1.00 0.00 C ATOM 934 OD1 ASP A 73 -0.822 19.261 -11.365 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.147 19.727 -12.092 1.00 0.00 O ATOM 0 H ASP A 73 -0.820 16.995 -13.598 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.655 19.305 -13.192 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.160 19.177 -14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.736 20.628 -13.985 1.00 0.00 H new ATOM 940 N VAL A 74 -3.647 18.313 -15.402 1.00 0.00 N ATOM 941 CA VAL A 74 -4.205 18.160 -16.760 1.00 0.00 C ATOM 942 C VAL A 74 -4.130 19.496 -17.500 1.00 0.00 C ATOM 943 O VAL A 74 -3.553 19.569 -18.590 1.00 0.00 O ATOM 944 CB VAL A 74 -5.687 17.667 -16.683 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.279 17.456 -18.116 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.750 16.328 -15.890 1.00 0.00 C ATOM 0 H VAL A 74 -4.286 18.069 -14.645 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.621 17.418 -17.304 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.279 18.427 -16.173 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.311 17.113 -18.037 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.251 18.398 -18.664 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.688 16.710 -18.647 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.783 15.985 -15.837 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.144 15.577 -16.396 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.367 16.484 -14.881 1.00 0.00 H new ATOM 956 N ASP A 75 -4.691 20.554 -16.882 1.00 0.00 N ATOM 957 CA ASP A 75 -4.644 21.892 -17.496 1.00 0.00 C ATOM 958 C ASP A 75 -3.504 22.697 -16.885 1.00 0.00 C ATOM 959 O ASP A 75 -3.077 23.694 -17.466 1.00 0.00 O ATOM 960 CB ASP A 75 -5.995 22.590 -17.198 1.00 0.00 C ATOM 961 CG ASP A 75 -6.057 23.985 -17.839 1.00 0.00 C ATOM 962 OD1 ASP A 75 -6.122 24.047 -19.053 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.023 24.962 -17.105 1.00 0.00 O ATOM 0 H ASP A 75 -5.169 20.511 -15.982 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.479 21.817 -18.571 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.814 21.978 -17.575 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.132 22.676 -16.120 1.00 0.00 H new ATOM 968 N GLY A 76 -3.025 22.249 -15.714 1.00 0.00 N ATOM 969 CA GLY A 76 -1.933 22.927 -14.991 1.00 0.00 C ATOM 970 C GLY A 76 -2.007 24.449 -15.108 1.00 0.00 C ATOM 971 O GLY A 76 -1.148 25.073 -15.735 1.00 0.00 O ATOM 0 H GLY A 76 -3.378 21.415 -15.244 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.969 22.645 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.975 22.582 -15.381 1.00 0.00 H new ATOM 975 N ASP A 77 -3.054 25.041 -14.517 1.00 0.00 N ATOM 976 CA ASP A 77 -3.255 26.500 -14.574 1.00 0.00 C ATOM 977 C ASP A 77 -2.206 27.226 -13.716 1.00 0.00 C ATOM 978 O ASP A 77 -2.428 28.348 -13.272 1.00 0.00 O ATOM 979 CB ASP A 77 -4.692 26.853 -14.102 1.00 0.00 C ATOM 980 CG ASP A 77 -4.995 28.347 -14.318 1.00 0.00 C ATOM 981 OD1 ASP A 77 -5.008 28.762 -15.466 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.182 29.050 -13.337 1.00 0.00 O ATOM 0 H ASP A 77 -3.772 24.538 -13.996 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.133 26.832 -15.605 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.416 26.249 -14.649 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.803 26.605 -13.046 1.00 0.00 H new ATOM 987 N ARG A 78 -1.064 26.567 -13.500 1.00 0.00 N ATOM 988 CA ARG A 78 0.037 27.118 -12.711 1.00 0.00 C ATOM 989 C ARG A 78 -0.325 27.124 -11.230 1.00 0.00 C ATOM 990 O ARG A 78 0.469 27.558 -10.394 1.00 0.00 O ATOM 991 CB ARG A 78 0.402 28.577 -13.186 1.00 0.00 C ATOM 992 CG ARG A 78 1.908 28.934 -12.890 1.00 0.00 C ATOM 993 CD ARG A 78 2.825 28.462 -14.042 1.00 0.00 C ATOM 994 NE ARG A 78 2.506 29.238 -15.248 1.00 0.00 N ATOM 995 CZ ARG A 78 3.090 29.001 -16.430 1.00 0.00 C ATOM 996 NH1 ARG A 78 3.936 28.012 -16.558 1.00 0.00 N ATOM 997 NH2 ARG A 78 2.797 29.749 -17.457 1.00 0.00 N ATOM 0 H ARG A 78 -0.878 25.634 -13.869 1.00 0.00 H new ATOM 0 HA ARG A 78 0.910 26.483 -12.861 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.211 28.669 -14.255 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.246 29.295 -12.684 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.011 30.011 -12.756 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.220 28.466 -11.957 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.872 28.598 -13.771 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.680 27.398 -14.228 1.00 0.00 H new ATOM 0 HE ARG A 78 1.814 29.985 -15.183 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.152 27.419 -15.757 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.379 27.834 -17.459 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.126 30.511 -17.358 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.239 29.573 -18.359 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.531 26.641 -10.916 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.019 26.589 -9.535 1.00 0.00 C ATOM 1013 C VAL A 79 -2.883 25.348 -9.349 1.00 0.00 C ATOM 1014 O VAL A 79 -3.660 24.990 -10.234 1.00 0.00 O ATOM 1015 CB VAL A 79 -2.816 27.892 -9.226 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.065 28.018 -10.151 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -3.251 27.924 -7.736 1.00 0.00 C ATOM 0 H VAL A 79 -2.191 26.278 -11.604 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.183 26.525 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.159 28.740 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.602 28.936 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.745 28.044 -11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.722 27.162 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.806 28.841 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.885 27.063 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.368 27.890 -7.098 1.00 0.00 H new ATOM 1027 N LEU A 80 -2.721 24.693 -8.193 1.00 0.00 N ATOM 1028 CA LEU A 80 -3.459 23.469 -7.864 1.00 0.00 C ATOM 1029 C LEU A 80 -4.007 23.581 -6.431 1.00 0.00 C ATOM 1030 O LEU A 80 -3.322 23.234 -5.464 1.00 0.00 O ATOM 1031 CB LEU A 80 -2.464 22.274 -7.958 1.00 0.00 C ATOM 1032 CG LEU A 80 -1.707 22.241 -9.343 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -0.522 21.250 -9.276 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.671 21.832 -10.502 1.00 0.00 C ATOM 0 H LEU A 80 -2.077 24.996 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.293 23.320 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.737 22.344 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.007 21.339 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.331 23.244 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.006 21.234 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.172 21.565 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.895 20.252 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.122 21.818 -11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.078 20.840 -10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.487 22.552 -10.568 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.249 24.066 -6.312 1.00 0.00 N ATOM 1047 CA ASP A 81 -5.948 24.224 -5.027 1.00 0.00 C ATOM 1048 C ASP A 81 -6.946 23.096 -4.881 1.00 0.00 C ATOM 1049 O ASP A 81 -6.900 22.139 -5.640 1.00 0.00 O ATOM 1050 CB ASP A 81 -6.638 25.612 -4.961 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.679 25.764 -6.078 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -7.419 25.289 -7.173 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -8.723 26.342 -5.818 1.00 0.00 O ATOM 0 H ASP A 81 -5.805 24.364 -7.114 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.239 24.177 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.120 25.737 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.889 26.399 -5.048 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.848 23.227 -3.905 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.902 22.212 -3.644 1.00 0.00 C ATOM 1060 C ALA A 82 -9.515 21.640 -4.954 1.00 0.00 C ATOM 1061 O ALA A 82 -10.053 20.531 -4.964 1.00 0.00 O ATOM 1062 CB ALA A 82 -10.012 22.859 -2.786 1.00 0.00 C ATOM 0 H ALA A 82 -7.879 24.027 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.442 21.376 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.793 22.125 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.588 23.203 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.439 23.706 -3.322 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.402 22.420 -6.045 1.00 0.00 N ATOM 1069 CA GLU A 83 -9.942 21.992 -7.346 1.00 0.00 C ATOM 1070 C GLU A 83 -9.174 20.767 -7.898 1.00 0.00 C ATOM 1071 O GLU A 83 -9.740 19.681 -8.020 1.00 0.00 O ATOM 1072 CB GLU A 83 -9.762 23.182 -8.338 1.00 0.00 C ATOM 1073 CG GLU A 83 -10.579 24.428 -7.889 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.087 24.160 -7.981 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -12.528 23.784 -9.055 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -12.771 24.329 -6.985 1.00 0.00 O ATOM 0 H GLU A 83 -8.950 23.334 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.989 21.712 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.706 23.443 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.080 22.877 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.315 24.691 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.319 25.282 -8.514 1.00 0.00 H new ATOM 1083 N GLU A 84 -7.872 20.941 -8.176 1.00 0.00 N ATOM 1084 CA GLU A 84 -6.989 19.845 -8.661 1.00 0.00 C ATOM 1085 C GLU A 84 -6.346 19.071 -7.505 1.00 0.00 C ATOM 1086 O GLU A 84 -5.918 17.927 -7.671 1.00 0.00 O ATOM 1087 CB GLU A 84 -5.890 20.423 -9.588 1.00 0.00 C ATOM 1088 CG GLU A 84 -6.517 21.114 -10.836 1.00 0.00 C ATOM 1089 CD GLU A 84 -7.234 20.092 -11.733 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -6.589 19.135 -12.131 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -8.415 20.269 -11.990 1.00 0.00 O ATOM 0 H GLU A 84 -7.395 21.837 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.610 19.145 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.285 21.142 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.222 19.623 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.223 21.879 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.737 21.619 -11.406 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.233 19.732 -6.348 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.584 19.137 -5.171 1.00 0.00 C ATOM 1100 C GLN A 85 -6.378 17.941 -4.670 1.00 0.00 C ATOM 1101 O GLN A 85 -5.790 16.918 -4.302 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.438 20.201 -4.050 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.607 19.648 -2.851 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.476 20.701 -1.754 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.235 20.685 -0.784 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -3.556 21.615 -1.854 1.00 0.00 N ATOM 0 H GLN A 85 -6.582 20.679 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.591 18.790 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.954 21.091 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.425 20.504 -3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.088 18.756 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.617 19.349 -3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.930 21.623 -2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.460 22.324 -1.127 1.00 0.00 H new ATOM 1115 N MET A 86 -7.714 18.079 -4.619 1.00 0.00 N ATOM 1116 CA MET A 86 -8.564 16.992 -4.120 1.00 0.00 C ATOM 1117 C MET A 86 -8.290 15.706 -4.899 1.00 0.00 C ATOM 1118 O MET A 86 -8.091 14.646 -4.310 1.00 0.00 O ATOM 1119 CB MET A 86 -10.064 17.386 -4.261 1.00 0.00 C ATOM 1120 CG MET A 86 -10.983 16.271 -3.689 1.00 0.00 C ATOM 1121 SD MET A 86 -12.709 16.788 -3.766 1.00 0.00 S ATOM 1122 CE MET A 86 -13.395 15.261 -3.076 1.00 0.00 C ATOM 0 H MET A 86 -8.218 18.916 -4.912 1.00 0.00 H new ATOM 0 HA MET A 86 -8.335 16.822 -3.068 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.250 18.322 -3.735 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.303 17.557 -5.311 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.846 15.350 -4.256 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.706 16.055 -2.657 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.481 15.341 -3.023 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.124 14.420 -3.714 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.993 15.101 -2.075 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.296 15.816 -6.229 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.067 14.656 -7.091 1.00 0.00 C ATOM 1134 C LYS A 87 -6.675 14.074 -6.837 1.00 0.00 C ATOM 1135 O LYS A 87 -6.501 12.856 -6.795 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.206 15.067 -8.582 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.172 13.809 -9.499 1.00 0.00 C ATOM 1138 CD LYS A 87 -8.331 14.206 -10.988 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.314 12.935 -11.868 1.00 0.00 C ATOM 1140 NZ LYS A 87 -9.448 12.055 -11.462 1.00 0.00 N ATOM 0 H LYS A 87 -8.456 16.690 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.813 13.895 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.141 15.608 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.398 15.746 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.231 13.277 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.971 13.124 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.265 14.748 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.524 14.877 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.403 13.203 -12.921 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.367 12.408 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.924 11.688 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.086 11.260 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.126 12.602 -10.894 1.00 0.00 H new ATOM 1154 N MET A 88 -5.691 14.965 -6.669 1.00 0.00 N ATOM 1155 CA MET A 88 -4.311 14.545 -6.423 1.00 0.00 C ATOM 1156 C MET A 88 -4.220 13.765 -5.106 1.00 0.00 C ATOM 1157 O MET A 88 -3.872 12.590 -5.099 1.00 0.00 O ATOM 1158 CB MET A 88 -3.371 15.788 -6.371 1.00 0.00 C ATOM 1159 CG MET A 88 -1.882 15.356 -6.258 1.00 0.00 C ATOM 1160 SD MET A 88 -0.811 16.825 -6.234 1.00 0.00 S ATOM 1161 CE MET A 88 -0.725 17.082 -4.439 1.00 0.00 C ATOM 0 H MET A 88 -5.826 15.976 -6.699 1.00 0.00 H new ATOM 0 HA MET A 88 -3.994 13.896 -7.240 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.511 16.392 -7.267 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.637 16.414 -5.520 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.732 14.771 -5.351 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.616 14.715 -7.098 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.103 17.951 -4.225 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.728 17.249 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.292 16.201 -3.966 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.560 14.431 -3.995 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.506 13.806 -2.664 1.00 0.00 C ATOM 1173 C ALA A 89 -5.197 12.435 -2.654 1.00 0.00 C ATOM 1174 O ALA A 89 -4.655 11.467 -2.129 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.167 14.744 -1.628 1.00 0.00 C ATOM 0 H ALA A 89 -4.875 15.401 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.460 13.647 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.128 14.282 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.634 15.694 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.207 14.918 -1.906 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.378 12.361 -3.269 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.137 11.104 -3.352 1.00 0.00 C ATOM 1183 C HIS A 90 -6.316 10.010 -4.046 1.00 0.00 C ATOM 1184 O HIS A 90 -6.301 8.862 -3.595 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.454 11.354 -4.140 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.450 12.091 -3.282 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.301 13.078 -2.342 1.00 0.00 N flip ATOM 1188 CD2 HIS A 90 -10.799 11.789 -3.306 1.00 0.00 C flip ATOM 1189 CE1 HIS A 90 -10.537 13.384 -1.788 1.00 0.00 C flip ATOM 1190 NE2 HIS A 90 -11.405 12.577 -2.405 1.00 0.00 N flip ATOM 0 H HIS A 90 -6.833 13.155 -3.719 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.366 10.766 -2.341 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.242 11.932 -5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.877 10.403 -4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.278 11.053 -3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.751 14.116 -1.023 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.407 12.562 -2.214 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.646 10.368 -5.148 1.00 0.00 N ATOM 1199 CA ASP A 91 -4.837 9.397 -5.895 1.00 0.00 C ATOM 1200 C ASP A 91 -3.641 8.922 -5.061 1.00 0.00 C ATOM 1201 O ASP A 91 -3.337 7.737 -5.032 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.340 10.020 -7.223 1.00 0.00 C ATOM 1203 CG ASP A 91 -3.710 8.931 -8.111 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -2.714 8.366 -7.692 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -4.253 8.659 -9.171 1.00 0.00 O ATOM 0 H ASP A 91 -5.647 11.310 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.466 8.535 -6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.171 10.492 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.608 10.801 -7.017 1.00 0.00 H new ATOM 1210 N LEU A 92 -2.978 9.871 -4.392 1.00 0.00 N ATOM 1211 CA LEU A 92 -1.797 9.575 -3.552 1.00 0.00 C ATOM 1212 C LEU A 92 -2.158 8.624 -2.401 1.00 0.00 C ATOM 1213 O LEU A 92 -1.441 7.652 -2.143 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.194 10.926 -3.010 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.094 11.519 -3.975 1.00 0.00 C ATOM 1216 CD1 LEU A 92 1.179 10.600 -4.026 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.667 11.735 -5.409 1.00 0.00 C ATOM 0 H LEU A 92 -3.236 10.858 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.046 9.069 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.995 11.654 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.758 10.758 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 92 0.205 12.487 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.917 11.037 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.606 10.514 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.899 9.610 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.111 12.144 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.008 10.781 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.505 12.431 -5.365 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.268 8.908 -1.722 1.00 0.00 N ATOM 1230 CA GLU A 93 -3.730 8.070 -0.604 1.00 0.00 C ATOM 1231 C GLU A 93 -4.116 6.681 -1.127 1.00 0.00 C ATOM 1232 O GLU A 93 -3.811 5.666 -0.500 1.00 0.00 O ATOM 1233 CB GLU A 93 -4.943 8.752 0.075 1.00 0.00 C ATOM 1234 CG GLU A 93 -4.503 10.059 0.799 1.00 0.00 C ATOM 1235 CD GLU A 93 -5.717 10.763 1.412 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -6.348 11.532 0.706 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.001 10.510 2.572 1.00 0.00 O ATOM 0 H GLU A 93 -3.867 9.709 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.932 7.955 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.703 8.982 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.397 8.068 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.778 9.824 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.007 10.724 0.093 1.00 0.00 H new ATOM 1244 N GLY A 94 -4.771 6.649 -2.296 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.187 5.392 -2.926 1.00 0.00 C ATOM 1246 C GLY A 94 -3.987 4.660 -3.521 1.00 0.00 C ATOM 1247 O GLY A 94 -4.033 3.443 -3.742 1.00 0.00 O ATOM 0 H GLY A 94 -5.024 7.484 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.678 4.756 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.918 5.597 -3.708 1.00 0.00 H new ATOM 1251 N GLN A 95 -2.905 5.409 -3.804 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.694 4.820 -4.404 1.00 0.00 C ATOM 1253 C GLN A 95 -1.111 3.743 -3.496 1.00 0.00 C ATOM 1254 O GLN A 95 -0.642 2.712 -3.962 1.00 0.00 O ATOM 1255 CB GLN A 95 -0.599 5.919 -4.647 1.00 0.00 C ATOM 1256 CG GLN A 95 0.411 5.479 -5.764 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.234 5.666 -7.143 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.324 6.794 -7.627 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.731 4.647 -7.777 1.00 0.00 N ATOM 0 H GLN A 95 -2.844 6.412 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.984 4.378 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.078 6.855 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.059 6.109 -3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.325 6.070 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.694 4.436 -5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.657 3.712 -7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.195 4.782 -8.675 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.118 4.017 -2.186 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.557 3.096 -1.203 1.00 0.00 C ATOM 1270 C LYS A 96 -1.262 1.742 -1.267 1.00 0.00 C ATOM 1271 O LYS A 96 -0.616 0.698 -1.255 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.689 3.708 0.222 1.00 0.00 C ATOM 1273 CG LYS A 96 0.238 2.964 1.223 1.00 0.00 C ATOM 1274 CD LYS A 96 0.137 3.593 2.637 1.00 0.00 C ATOM 1275 CE LYS A 96 1.103 2.871 3.603 1.00 0.00 C ATOM 1276 NZ LYS A 96 2.496 3.026 3.097 1.00 0.00 N ATOM 0 H LYS A 96 -1.507 4.871 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 96 0.498 2.939 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.430 4.766 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.724 3.642 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.038 1.911 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.269 3.008 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.381 4.654 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.886 3.517 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.017 3.290 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.844 1.815 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.062 2.200 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.482 3.099 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.918 3.887 3.499 1.00 0.00 H new ATOM 1290 N SER A 97 -2.597 1.781 -1.358 1.00 0.00 N ATOM 1291 CA SER A 97 -3.410 0.561 -1.444 1.00 0.00 C ATOM 1292 C SER A 97 -3.015 -0.260 -2.676 1.00 0.00 C ATOM 1293 O SER A 97 -2.892 -1.486 -2.606 1.00 0.00 O ATOM 1294 CB SER A 97 -4.900 0.942 -1.520 1.00 0.00 C ATOM 1295 OG SER A 97 -5.259 1.642 -0.337 1.00 0.00 O ATOM 0 H SER A 97 -3.138 2.646 -1.374 1.00 0.00 H new ATOM 0 HA SER A 97 -3.235 -0.045 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.086 1.563 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.512 0.047 -1.628 1.00 0.00 H new ATOM 0 HG SER A 97 -6.206 1.890 -0.378 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.806 0.432 -3.808 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.414 -0.239 -5.061 1.00 0.00 C ATOM 1303 C ASP A 98 -1.082 -0.989 -4.875 1.00 0.00 C ATOM 1304 O ASP A 98 -0.935 -2.136 -5.293 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.285 0.809 -6.198 1.00 0.00 C ATOM 1306 CG ASP A 98 -2.019 0.129 -7.551 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -2.953 -0.429 -8.101 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -0.887 0.169 -8.008 1.00 0.00 O ATOM 0 H ASP A 98 -2.900 1.445 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.183 -0.964 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.199 1.399 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.474 1.500 -5.969 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.126 -0.314 -4.228 1.00 0.00 N ATOM 1314 CA LEU A 99 1.199 -0.890 -3.957 1.00 0.00 C ATOM 1315 C LEU A 99 1.100 -1.970 -2.885 1.00 0.00 C ATOM 1316 O LEU A 99 1.825 -2.966 -2.927 1.00 0.00 O ATOM 1317 CB LEU A 99 2.166 0.233 -3.510 1.00 0.00 C ATOM 1318 CG LEU A 99 2.338 1.323 -4.634 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.127 2.535 -4.070 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.087 0.752 -5.886 1.00 0.00 C ATOM 0 H LEU A 99 -0.245 0.637 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 99 1.584 -1.351 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.787 0.701 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.137 -0.197 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 99 1.343 1.636 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.244 3.287 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.582 2.965 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.110 2.205 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.186 1.534 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.077 0.405 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.520 -0.081 -6.301 1.00 0.00 H new ATOM 1332 N ASN A 100 0.213 -1.756 -1.903 1.00 0.00 N ATOM 1333 CA ASN A 100 0.041 -2.707 -0.795 1.00 0.00 C ATOM 1334 C ASN A 100 -0.242 -4.115 -1.342 1.00 0.00 C ATOM 1335 O ASN A 100 0.350 -5.098 -0.894 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.121 -2.232 0.115 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.153 -3.026 1.421 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.943 -4.240 1.420 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -1.385 -2.399 2.541 1.00 0.00 N ATOM 0 H ASN A 100 -0.394 -0.938 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 100 0.958 -2.749 -0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.006 -1.170 0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.069 -2.349 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.393 -2.914 3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.558 -1.394 2.536 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.131 -4.182 -2.343 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.475 -5.455 -2.995 1.00 0.00 C ATOM 1348 C ASN A 101 -0.288 -5.967 -3.824 1.00 0.00 C ATOM 1349 O ASN A 101 0.059 -7.148 -3.763 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.700 -5.245 -3.911 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.884 -4.734 -3.089 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.151 -5.249 -2.005 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.609 -3.746 -3.539 1.00 0.00 N ATOM 0 H ASN A 101 -1.624 -3.372 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.711 -6.195 -2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.458 -4.531 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.964 -6.182 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.397 -3.401 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.387 -3.319 -4.438 1.00 0.00 H new ATOM 1360 N GLN A 102 0.313 -5.066 -4.621 1.00 0.00 N ATOM 1361 CA GLN A 102 1.447 -5.434 -5.495 1.00 0.00 C ATOM 1362 C GLN A 102 2.547 -6.127 -4.681 1.00 0.00 C ATOM 1363 O GLN A 102 3.079 -7.162 -5.080 1.00 0.00 O ATOM 1364 CB GLN A 102 2.019 -4.165 -6.188 1.00 0.00 C ATOM 1365 CG GLN A 102 3.074 -4.543 -7.273 1.00 0.00 C ATOM 1366 CD GLN A 102 3.641 -3.295 -7.954 1.00 0.00 C ATOM 1367 OE1 GLN A 102 2.992 -2.250 -7.993 1.00 0.00 O ATOM 1368 NE2 GLN A 102 4.833 -3.347 -8.486 1.00 0.00 N ATOM 0 H GLN A 102 0.037 -4.086 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 102 1.089 -6.126 -6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.207 -3.601 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.477 -3.515 -5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.884 -5.110 -6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.615 -5.191 -8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.369 -4.214 -8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.228 -2.520 -8.935 1.00 0.00 H new ATOM 1377 N LEU A 103 2.874 -5.529 -3.537 1.00 0.00 N ATOM 1378 CA LEU A 103 3.907 -6.055 -2.635 1.00 0.00 C ATOM 1379 C LEU A 103 3.303 -7.112 -1.725 1.00 0.00 C ATOM 1380 O LEU A 103 4.006 -7.689 -0.896 1.00 0.00 O ATOM 1381 CB LEU A 103 4.463 -4.881 -1.787 1.00 0.00 C ATOM 1382 CG LEU A 103 5.037 -3.739 -2.700 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.444 -2.526 -1.823 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.268 -4.234 -3.528 1.00 0.00 C ATOM 0 H LEU A 103 2.435 -4.670 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 103 4.712 -6.510 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.671 -4.480 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.246 -5.248 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 103 4.258 -3.441 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.842 -1.735 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.571 -2.156 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.206 -2.834 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.640 -3.419 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.055 -4.562 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.968 -5.067 -4.164 1.00 0.00 H new