USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 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 56 THR OG1 : rot -170:sc= 0.759 USER MOD Set 1.2: A 59 THR OG1 : rot 112:sc= 0.862 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0174 (180deg=-0.0174) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00144) USER MOD Single : A 9 ASN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.0445 K(o=0.044,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.0396 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.18 K(o=1.2,f=-0.029) USER MOD Single : A 61 SER OG : rot -43:sc= 0.411 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.389 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.3!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.7 K(o=0.7,f=-0.024) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -30.961 -13.177 -27.998 1.00 0.00 N ATOM 77 CA MET A 1 -31.060 -14.602 -27.626 1.00 0.00 C ATOM 78 C MET A 1 -29.702 -15.346 -27.650 1.00 0.00 C ATOM 79 O MET A 1 -29.657 -16.575 -27.612 1.00 0.00 O ATOM 80 CB MET A 1 -32.112 -15.263 -28.545 1.00 0.00 C ATOM 81 CG MET A 1 -32.726 -16.549 -27.974 1.00 0.00 C ATOM 82 SD MET A 1 -34.226 -17.127 -28.823 1.00 0.00 S ATOM 83 CE MET A 1 -33.562 -17.517 -30.468 1.00 0.00 C ATOM 0 H1 MET A 1 -31.905 -12.742 -27.961 1.00 0.00 H new ATOM 0 H2 MET A 1 -30.328 -12.688 -27.333 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.580 -13.096 -28.962 1.00 0.00 H new ATOM 0 HA MET A 1 -31.378 -14.671 -26.586 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.911 -14.547 -28.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 -31.648 -15.490 -29.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.977 -17.340 -28.013 1.00 0.00 H new ATOM 0 HG3 MET A 1 -32.962 -16.385 -26.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.365 -17.885 -31.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.131 -16.618 -30.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.791 -18.282 -30.377 1.00 0.00 H new ATOM 93 N ASP A 2 -28.581 -14.616 -27.721 1.00 0.00 N ATOM 94 CA ASP A 2 -27.234 -15.165 -27.974 1.00 0.00 C ATOM 95 C ASP A 2 -26.176 -14.595 -26.997 1.00 0.00 C ATOM 96 O ASP A 2 -25.413 -13.691 -27.357 1.00 0.00 O ATOM 97 CB ASP A 2 -26.859 -14.916 -29.447 1.00 0.00 C ATOM 98 CG ASP A 2 -27.757 -15.695 -30.424 1.00 0.00 C ATOM 99 OD1 ASP A 2 -27.527 -16.912 -30.622 1.00 0.00 O ATOM 100 OD2 ASP A 2 -28.683 -15.087 -31.015 1.00 0.00 O ATOM 0 H ASP A 2 -28.581 -13.603 -27.602 1.00 0.00 H new ATOM 0 HA ASP A 2 -27.251 -16.239 -27.790 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -26.933 -13.850 -29.662 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.820 -15.202 -29.607 1.00 0.00 H new ATOM 105 N PRO A 3 -26.105 -15.100 -25.746 1.00 0.00 N ATOM 106 CA PRO A 3 -25.178 -14.610 -24.716 1.00 0.00 C ATOM 107 C PRO A 3 -23.744 -15.151 -24.820 1.00 0.00 C ATOM 108 O PRO A 3 -22.871 -14.737 -24.055 1.00 0.00 O ATOM 109 CB PRO A 3 -25.851 -14.979 -23.388 1.00 0.00 C ATOM 110 CG PRO A 3 -26.572 -16.284 -23.723 1.00 0.00 C ATOM 111 CD PRO A 3 -27.025 -16.073 -25.167 1.00 0.00 C ATOM 0 HA PRO A 3 -25.021 -13.537 -24.829 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -25.122 -15.114 -22.589 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -26.546 -14.206 -23.059 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -25.910 -17.145 -23.631 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.417 -16.459 -23.057 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -27.001 -17.010 -25.723 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -28.051 -15.707 -25.203 1.00 0.00 H new ATOM 119 N LEU A 4 -23.485 -16.046 -25.773 1.00 0.00 N ATOM 120 CA LEU A 4 -22.211 -16.749 -25.972 1.00 0.00 C ATOM 121 C LEU A 4 -21.510 -16.330 -27.284 1.00 0.00 C ATOM 122 O LEU A 4 -21.005 -17.160 -28.037 1.00 0.00 O ATOM 123 CB LEU A 4 -22.439 -18.270 -25.839 1.00 0.00 C ATOM 124 CG LEU A 4 -22.938 -18.750 -24.463 1.00 0.00 C ATOM 125 CD1 LEU A 4 -23.165 -20.262 -24.503 1.00 0.00 C ATOM 126 CD2 LEU A 4 -21.947 -18.450 -23.335 1.00 0.00 C ATOM 0 H LEU A 4 -24.188 -16.315 -26.461 1.00 0.00 H new ATOM 0 HA LEU A 4 -21.511 -16.455 -25.190 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -23.161 -18.579 -26.595 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -21.503 -18.781 -26.065 1.00 0.00 H new ATOM 0 HG LEU A 4 -23.862 -18.210 -24.258 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -23.518 -20.603 -23.530 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -23.910 -20.498 -25.262 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -22.228 -20.764 -24.745 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -22.352 -18.811 -22.389 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -21.001 -18.951 -23.539 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -21.782 -17.374 -23.272 1.00 0.00 H new ATOM 138 N ASP A 5 -21.478 -15.023 -27.556 1.00 0.00 N ATOM 139 CA ASP A 5 -20.819 -14.416 -28.731 1.00 0.00 C ATOM 140 C ASP A 5 -19.641 -13.478 -28.391 1.00 0.00 C ATOM 141 O ASP A 5 -19.035 -12.881 -29.287 1.00 0.00 O ATOM 142 CB ASP A 5 -21.884 -13.711 -29.595 1.00 0.00 C ATOM 143 CG ASP A 5 -22.210 -14.521 -30.861 1.00 0.00 C ATOM 144 OD1 ASP A 5 -21.459 -14.408 -31.861 1.00 0.00 O ATOM 145 OD2 ASP A 5 -23.216 -15.268 -30.870 1.00 0.00 O ATOM 0 H ASP A 5 -21.921 -14.332 -26.951 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.356 -15.226 -29.295 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.792 -13.568 -29.010 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -21.527 -12.720 -29.877 1.00 0.00 H new ATOM 150 N LYS A 6 -19.318 -13.340 -27.099 1.00 0.00 N ATOM 151 CA LYS A 6 -18.409 -12.299 -26.565 1.00 0.00 C ATOM 152 C LYS A 6 -17.159 -12.882 -25.906 1.00 0.00 C ATOM 153 O LYS A 6 -16.034 -12.553 -26.285 1.00 0.00 O ATOM 154 CB LYS A 6 -19.148 -11.357 -25.586 1.00 0.00 C ATOM 155 CG LYS A 6 -20.541 -10.908 -26.061 1.00 0.00 C ATOM 156 CD LYS A 6 -21.700 -11.707 -25.433 1.00 0.00 C ATOM 157 CE LYS A 6 -21.917 -11.447 -23.932 1.00 0.00 C ATOM 158 NZ LYS A 6 -22.420 -10.073 -23.656 1.00 0.00 N ATOM 0 H LYS A 6 -19.685 -13.958 -26.375 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.075 -11.719 -27.425 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.251 -11.861 -24.625 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.533 -10.473 -25.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.671 -9.852 -25.827 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.593 -11.003 -27.146 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.620 -11.468 -25.967 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.513 -12.771 -25.581 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.627 -12.175 -23.540 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.977 -11.599 -23.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.565 -9.955 -22.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.725 -9.375 -23.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.322 -9.927 -24.153 1.00 0.00 H new ATOM 172 N ILE A 7 -17.387 -13.756 -24.923 1.00 0.00 N ATOM 173 CA ILE A 7 -16.369 -14.377 -24.055 1.00 0.00 C ATOM 174 C ILE A 7 -16.524 -15.905 -23.952 1.00 0.00 C ATOM 175 O ILE A 7 -15.934 -16.529 -23.068 1.00 0.00 O ATOM 176 CB ILE A 7 -16.317 -13.673 -22.672 1.00 0.00 C ATOM 177 CG1 ILE A 7 -17.674 -13.539 -21.941 1.00 0.00 C ATOM 178 CG2 ILE A 7 -15.713 -12.266 -22.830 1.00 0.00 C ATOM 179 CD1 ILE A 7 -18.333 -14.860 -21.529 1.00 0.00 C ATOM 0 H ILE A 7 -18.331 -14.069 -24.695 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.399 -14.226 -24.528 1.00 0.00 H new ATOM 0 HB ILE A 7 -15.700 -14.324 -22.052 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -17.528 -12.932 -21.048 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.363 -12.995 -22.587 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.678 -11.774 -21.858 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.703 -12.347 -23.233 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.330 -11.680 -23.511 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -19.277 -14.654 -21.025 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -18.520 -15.466 -22.416 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.671 -15.401 -20.853 1.00 0.00 H new ATOM 191 N ILE A 8 -17.325 -16.508 -24.844 1.00 0.00 N ATOM 192 CA ILE A 8 -17.570 -17.966 -24.913 1.00 0.00 C ATOM 193 C ILE A 8 -16.271 -18.794 -24.758 1.00 0.00 C ATOM 194 O ILE A 8 -15.309 -18.632 -25.514 1.00 0.00 O ATOM 195 CB ILE A 8 -18.339 -18.349 -26.204 1.00 0.00 C ATOM 196 CG1 ILE A 8 -18.739 -19.847 -26.167 1.00 0.00 C ATOM 197 CG2 ILE A 8 -17.583 -17.982 -27.497 1.00 0.00 C ATOM 198 CD1 ILE A 8 -19.446 -20.379 -27.422 1.00 0.00 C ATOM 0 H ILE A 8 -17.835 -15.987 -25.557 1.00 0.00 H new ATOM 0 HA ILE A 8 -18.202 -18.218 -24.061 1.00 0.00 H new ATOM 0 HB ILE A 8 -19.248 -17.748 -26.226 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.840 -20.440 -26.000 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -19.391 -20.009 -25.309 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -18.177 -18.277 -28.362 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -17.411 -16.906 -27.525 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.626 -18.503 -27.519 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -19.680 -21.435 -27.288 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.368 -19.821 -27.584 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -18.793 -20.259 -28.286 1.00 0.00 H new ATOM 210 N ASN A 9 -16.251 -19.695 -23.770 1.00 0.00 N ATOM 211 CA ASN A 9 -15.109 -20.576 -23.470 1.00 0.00 C ATOM 212 C ASN A 9 -15.528 -21.962 -22.934 1.00 0.00 C ATOM 213 O ASN A 9 -14.691 -22.744 -22.484 1.00 0.00 O ATOM 214 CB ASN A 9 -14.154 -19.811 -22.525 1.00 0.00 C ATOM 215 CG ASN A 9 -12.688 -20.206 -22.659 1.00 0.00 C ATOM 216 OD1 ASN A 9 -11.874 -19.481 -23.217 1.00 0.00 O ATOM 217 ND2 ASN A 9 -12.286 -21.349 -22.154 1.00 0.00 N ATOM 0 H ASN A 9 -17.042 -19.838 -23.142 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.584 -20.815 -24.395 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.249 -18.743 -22.719 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.470 -19.978 -21.495 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.306 -21.623 -22.229 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.953 -21.963 -21.686 1.00 0.00 H new ATOM 224 N ASP A 10 -16.820 -22.299 -22.991 1.00 0.00 N ATOM 225 CA ASP A 10 -17.388 -23.459 -22.287 1.00 0.00 C ATOM 226 C ASP A 10 -17.194 -24.815 -23.003 1.00 0.00 C ATOM 227 O ASP A 10 -17.715 -25.853 -22.590 1.00 0.00 O ATOM 228 CB ASP A 10 -18.857 -23.144 -21.954 1.00 0.00 C ATOM 229 CG ASP A 10 -19.523 -24.165 -21.010 1.00 0.00 C ATOM 230 OD1 ASP A 10 -18.995 -24.400 -19.897 1.00 0.00 O ATOM 231 OD2 ASP A 10 -20.613 -24.688 -21.353 1.00 0.00 O ATOM 0 H ASP A 10 -17.508 -21.773 -23.530 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.825 -23.606 -21.365 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.911 -22.155 -21.498 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.427 -23.098 -22.882 1.00 0.00 H new ATOM 236 N ILE A 11 -16.429 -24.796 -24.094 1.00 0.00 N ATOM 237 CA ILE A 11 -16.203 -25.928 -25.012 1.00 0.00 C ATOM 238 C ILE A 11 -14.790 -25.955 -25.621 1.00 0.00 C ATOM 239 O ILE A 11 -14.555 -26.564 -26.667 1.00 0.00 O ATOM 240 CB ILE A 11 -17.376 -25.973 -26.033 1.00 0.00 C ATOM 241 CG1 ILE A 11 -17.545 -27.282 -26.837 1.00 0.00 C ATOM 242 CG2 ILE A 11 -17.338 -24.774 -27.000 1.00 0.00 C ATOM 243 CD1 ILE A 11 -17.636 -28.541 -25.968 1.00 0.00 C ATOM 0 H ILE A 11 -15.925 -23.957 -24.381 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.217 -26.864 -24.454 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.254 -25.921 -25.389 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -18.446 -27.208 -27.447 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.704 -27.386 -27.522 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.173 -24.842 -27.697 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.414 -23.846 -26.433 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.400 -24.784 -27.555 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -17.753 -29.416 -26.607 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.725 -28.642 -25.378 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.494 -28.461 -25.301 1.00 0.00 H new ATOM 255 N LYS A 12 -13.825 -25.313 -24.945 1.00 0.00 N ATOM 256 CA LYS A 12 -12.416 -25.262 -25.373 1.00 0.00 C ATOM 257 C LYS A 12 -11.423 -25.768 -24.319 1.00 0.00 C ATOM 258 O LYS A 12 -10.515 -26.529 -24.663 1.00 0.00 O ATOM 259 CB LYS A 12 -12.102 -23.830 -25.845 1.00 0.00 C ATOM 260 CG LYS A 12 -10.708 -23.715 -26.486 1.00 0.00 C ATOM 261 CD LYS A 12 -10.398 -22.300 -26.995 1.00 0.00 C ATOM 262 CE LYS A 12 -11.270 -21.909 -28.197 1.00 0.00 C ATOM 263 NZ LYS A 12 -10.901 -20.569 -28.724 1.00 0.00 N ATOM 0 H LYS A 12 -14.002 -24.809 -24.076 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.286 -25.959 -26.201 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.857 -23.514 -26.565 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.166 -23.149 -24.997 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.953 -24.006 -25.756 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.636 -24.418 -27.316 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.553 -21.584 -26.188 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.347 -22.240 -27.277 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.160 -22.654 -28.985 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.319 -21.909 -27.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.509 -20.335 -29.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.029 -19.855 -27.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.906 -20.577 -29.028 1.00 0.00 H new ATOM 608 N LEU A 35 -9.763 3.385 0.021 1.00 0.00 N ATOM 609 CA LEU A 35 -8.925 3.884 1.119 1.00 0.00 C ATOM 610 C LEU A 35 -9.619 5.074 1.816 1.00 0.00 C ATOM 611 O LEU A 35 -10.400 5.795 1.189 1.00 0.00 O ATOM 612 CB LEU A 35 -7.564 4.314 0.531 1.00 0.00 C ATOM 613 CG LEU A 35 -6.698 3.146 0.009 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.987 3.508 -1.295 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.649 2.734 1.042 1.00 0.00 C ATOM 0 HA LEU A 35 -8.773 3.103 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.739 5.014 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.004 4.852 1.297 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.377 2.314 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.388 2.661 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.727 3.753 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.338 4.368 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.054 1.910 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.998 3.581 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.146 2.416 1.959 1.00 0.00 H new ATOM 627 N SER A 36 -9.305 5.318 3.095 1.00 0.00 N ATOM 628 CA SER A 36 -9.672 6.571 3.786 1.00 0.00 C ATOM 629 C SER A 36 -8.877 7.758 3.215 1.00 0.00 C ATOM 630 O SER A 36 -7.860 7.550 2.556 1.00 0.00 O ATOM 631 CB SER A 36 -9.452 6.417 5.296 1.00 0.00 C ATOM 632 OG SER A 36 -9.903 7.568 5.991 1.00 0.00 O ATOM 0 H SER A 36 -8.792 4.659 3.681 1.00 0.00 H new ATOM 0 HA SER A 36 -10.729 6.777 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.984 5.537 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.393 6.256 5.499 1.00 0.00 H new ATOM 0 HG SER A 36 -9.755 7.448 6.952 1.00 0.00 H new ATOM 638 N GLU A 37 -9.280 9.008 3.457 1.00 0.00 N ATOM 639 CA GLU A 37 -8.617 10.198 2.887 1.00 0.00 C ATOM 640 C GLU A 37 -7.124 10.286 3.256 1.00 0.00 C ATOM 641 O GLU A 37 -6.291 10.538 2.387 1.00 0.00 O ATOM 642 CB GLU A 37 -9.385 11.459 3.318 1.00 0.00 C ATOM 643 CG GLU A 37 -8.841 12.739 2.670 1.00 0.00 C ATOM 644 CD GLU A 37 -9.714 13.956 3.031 1.00 0.00 C ATOM 645 OE1 GLU A 37 -9.474 14.591 4.089 1.00 0.00 O ATOM 646 OE2 GLU A 37 -10.645 14.294 2.258 1.00 0.00 O ATOM 0 H GLU A 37 -10.076 9.231 4.054 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.642 10.113 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.437 11.345 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.334 11.557 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.817 12.911 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.810 12.618 1.587 1.00 0.00 H new ATOM 653 N GLN A 38 -6.764 9.989 4.511 1.00 0.00 N ATOM 654 CA GLN A 38 -5.358 9.914 4.933 1.00 0.00 C ATOM 655 C GLN A 38 -4.668 8.638 4.436 1.00 0.00 C ATOM 656 O GLN A 38 -3.501 8.678 4.047 1.00 0.00 O ATOM 657 CB GLN A 38 -5.228 10.076 6.460 1.00 0.00 C ATOM 658 CG GLN A 38 -6.033 9.066 7.302 1.00 0.00 C ATOM 659 CD GLN A 38 -5.489 8.956 8.724 1.00 0.00 C ATOM 660 OE1 GLN A 38 -5.979 9.569 9.664 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.449 8.172 8.932 1.00 0.00 N ATOM 0 H GLN A 38 -7.432 9.795 5.257 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.837 10.749 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.175 9.991 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.545 11.083 6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.079 9.372 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.002 8.087 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.035 7.658 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.059 8.080 9.870 1.00 0.00 H new ATOM 670 N GLN A 39 -5.385 7.511 4.383 1.00 0.00 N ATOM 671 CA GLN A 39 -4.837 6.242 3.902 1.00 0.00 C ATOM 672 C GLN A 39 -4.496 6.314 2.410 1.00 0.00 C ATOM 673 O GLN A 39 -3.439 5.846 2.002 1.00 0.00 O ATOM 674 CB GLN A 39 -5.791 5.083 4.224 1.00 0.00 C ATOM 675 CG GLN A 39 -5.756 4.699 5.716 1.00 0.00 C ATOM 676 CD GLN A 39 -6.713 3.554 6.052 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.783 3.414 5.472 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.386 2.707 7.008 1.00 0.00 N ATOM 0 H GLN A 39 -6.361 7.454 4.673 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.902 6.050 4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.807 5.363 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.523 4.216 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.741 4.411 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.013 5.571 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.498 2.811 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.021 1.948 7.256 1.00 0.00 H new ATOM 687 N LYS A 40 -5.316 6.992 1.603 1.00 0.00 N ATOM 688 CA LYS A 40 -5.059 7.233 0.178 1.00 0.00 C ATOM 689 C LYS A 40 -3.741 7.991 -0.024 1.00 0.00 C ATOM 690 O LYS A 40 -2.958 7.630 -0.900 1.00 0.00 O ATOM 691 CB LYS A 40 -6.264 8.001 -0.392 1.00 0.00 C ATOM 692 CG LYS A 40 -6.120 8.319 -1.887 1.00 0.00 C ATOM 693 CD LYS A 40 -7.324 9.102 -2.433 1.00 0.00 C ATOM 694 CE LYS A 40 -8.600 8.252 -2.488 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.731 9.005 -3.093 1.00 0.00 N ATOM 0 H LYS A 40 -6.194 7.397 1.927 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.946 6.289 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.169 7.413 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.389 8.932 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.210 8.897 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.010 7.389 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.500 9.976 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.092 9.469 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.412 7.348 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.870 7.934 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.578 8.401 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.926 9.854 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.481 9.287 -4.063 1.00 0.00 H new ATOM 709 N ILE A 41 -3.461 8.987 0.821 1.00 0.00 N ATOM 710 CA ILE A 41 -2.217 9.770 0.769 1.00 0.00 C ATOM 711 C ILE A 41 -1.024 8.936 1.242 1.00 0.00 C ATOM 712 O ILE A 41 0.011 8.977 0.590 1.00 0.00 O ATOM 713 CB ILE A 41 -2.334 11.073 1.582 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.512 11.949 1.087 1.00 0.00 C ATOM 715 CG2 ILE A 41 -1.033 11.899 1.524 1.00 0.00 C ATOM 716 CD1 ILE A 41 -4.005 12.962 2.127 1.00 0.00 C ATOM 0 H ILE A 41 -4.094 9.277 1.567 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.047 10.046 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.520 10.775 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.203 12.484 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.341 11.301 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.154 12.811 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.211 11.312 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.813 12.159 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.830 13.539 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.346 12.433 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.190 13.635 2.394 1.00 0.00 H new ATOM 728 N ILE A 42 -1.137 8.144 2.317 1.00 0.00 N ATOM 729 CA ILE A 42 -0.026 7.286 2.782 1.00 0.00 C ATOM 730 C ILE A 42 0.311 6.233 1.718 1.00 0.00 C ATOM 731 O ILE A 42 1.481 6.015 1.402 1.00 0.00 O ATOM 732 CB ILE A 42 -0.366 6.612 4.128 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.582 7.648 5.253 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.755 5.641 4.552 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.478 7.088 6.362 1.00 0.00 C ATOM 0 H ILE A 42 -1.983 8.076 2.883 1.00 0.00 H new ATOM 0 HA ILE A 42 0.849 7.917 2.940 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.295 6.062 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.381 7.938 5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.033 8.549 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.494 5.177 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.874 4.868 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.690 6.190 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.610 7.842 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.449 6.822 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.013 6.201 6.793 1.00 0.00 H new ATOM 747 N LEU A 43 -0.722 5.628 1.124 1.00 0.00 N ATOM 748 CA LEU A 43 -0.614 4.659 0.032 1.00 0.00 C ATOM 749 C LEU A 43 0.135 5.283 -1.157 1.00 0.00 C ATOM 750 O LEU A 43 1.140 4.742 -1.627 1.00 0.00 O ATOM 751 CB LEU A 43 -2.044 4.177 -0.312 1.00 0.00 C ATOM 752 CG LEU A 43 -2.237 3.092 -1.383 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.186 3.650 -2.804 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.269 1.923 -1.216 1.00 0.00 C ATOM 0 H LEU A 43 -1.688 5.806 1.400 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.026 3.788 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.496 3.811 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.617 5.050 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.243 2.704 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.328 2.839 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.976 4.390 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.217 4.120 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.450 1.186 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.244 2.286 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.422 1.461 -0.241 1.00 0.00 H new ATOM 766 N ALA A 44 -0.308 6.464 -1.588 1.00 0.00 N ATOM 767 CA ALA A 44 0.278 7.208 -2.695 1.00 0.00 C ATOM 768 C ALA A 44 1.711 7.684 -2.422 1.00 0.00 C ATOM 769 O ALA A 44 2.576 7.500 -3.281 1.00 0.00 O ATOM 770 CB ALA A 44 -0.633 8.402 -2.970 1.00 0.00 C ATOM 0 H ALA A 44 -1.105 6.939 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 44 0.352 6.546 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.227 8.987 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.629 8.047 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.694 9.026 -2.079 1.00 0.00 H new ATOM 776 N GLU A 45 1.977 8.270 -1.249 1.00 0.00 N ATOM 777 CA GLU A 45 3.306 8.766 -0.862 1.00 0.00 C ATOM 778 C GLU A 45 4.333 7.639 -0.666 1.00 0.00 C ATOM 779 O GLU A 45 5.529 7.867 -0.852 1.00 0.00 O ATOM 780 CB GLU A 45 3.204 9.608 0.422 1.00 0.00 C ATOM 781 CG GLU A 45 2.547 10.981 0.213 1.00 0.00 C ATOM 782 CD GLU A 45 3.469 11.952 -0.551 1.00 0.00 C ATOM 783 OE1 GLU A 45 4.326 12.611 0.089 1.00 0.00 O ATOM 784 OE2 GLU A 45 3.340 12.073 -1.794 1.00 0.00 O ATOM 0 H GLU A 45 1.267 8.416 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 45 3.662 9.383 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.633 9.052 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.204 9.753 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.615 10.857 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.290 11.411 1.181 1.00 0.00 H new ATOM 791 N TYR A 46 3.895 6.416 -0.348 1.00 0.00 N ATOM 792 CA TYR A 46 4.779 5.254 -0.230 1.00 0.00 C ATOM 793 C TYR A 46 5.260 4.797 -1.618 1.00 0.00 C ATOM 794 O TYR A 46 6.463 4.748 -1.873 1.00 0.00 O ATOM 795 CB TYR A 46 4.043 4.167 0.569 1.00 0.00 C ATOM 796 CG TYR A 46 4.755 2.850 0.827 1.00 0.00 C ATOM 797 CD1 TYR A 46 6.155 2.710 0.723 1.00 0.00 C ATOM 798 CD2 TYR A 46 3.970 1.742 1.196 1.00 0.00 C ATOM 799 CE1 TYR A 46 6.760 1.459 0.948 1.00 0.00 C ATOM 800 CE2 TYR A 46 4.569 0.485 1.405 1.00 0.00 C ATOM 801 CZ TYR A 46 5.964 0.338 1.268 1.00 0.00 C ATOM 802 OH TYR A 46 6.525 -0.892 1.395 1.00 0.00 O ATOM 0 H TYR A 46 2.914 6.205 -0.165 1.00 0.00 H new ATOM 0 HA TYR A 46 5.688 5.503 0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.772 4.592 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.113 3.944 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.764 3.565 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.903 1.856 1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.833 1.357 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.960 -0.366 1.670 1.00 0.00 H new ATOM 0 HH TYR A 46 7.498 -0.802 1.472 1.00 0.00 H new ATOM 812 N ILE A 47 4.347 4.586 -2.572 1.00 0.00 N ATOM 813 CA ILE A 47 4.656 4.280 -3.974 1.00 0.00 C ATOM 814 C ILE A 47 5.440 5.429 -4.636 1.00 0.00 C ATOM 815 O ILE A 47 6.303 5.179 -5.470 1.00 0.00 O ATOM 816 CB ILE A 47 3.320 4.026 -4.693 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.725 2.699 -4.176 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.434 3.985 -6.228 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.206 2.627 -4.353 1.00 0.00 C ATOM 0 H ILE A 47 3.345 4.624 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 47 5.293 3.398 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 47 2.668 4.870 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.189 1.867 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.970 2.582 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.451 3.802 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.818 4.939 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.114 3.185 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.840 1.673 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.736 3.442 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.958 2.715 -5.411 1.00 0.00 H new ATOM 831 N ALA A 48 5.201 6.683 -4.246 1.00 0.00 N ATOM 832 CA ALA A 48 5.976 7.836 -4.714 1.00 0.00 C ATOM 833 C ALA A 48 7.446 7.819 -4.236 1.00 0.00 C ATOM 834 O ALA A 48 8.311 8.416 -4.881 1.00 0.00 O ATOM 835 CB ALA A 48 5.267 9.103 -4.234 1.00 0.00 C ATOM 0 H ALA A 48 4.459 6.930 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 48 6.024 7.800 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.822 9.979 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.258 9.134 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.214 9.100 -3.145 1.00 0.00 H new ATOM 841 N GLU A 49 7.741 7.130 -3.129 1.00 0.00 N ATOM 842 CA GLU A 49 9.086 7.009 -2.559 1.00 0.00 C ATOM 843 C GLU A 49 9.841 5.763 -3.066 1.00 0.00 C ATOM 844 O GLU A 49 11.066 5.818 -3.198 1.00 0.00 O ATOM 845 CB GLU A 49 8.971 7.022 -1.022 1.00 0.00 C ATOM 846 CG GLU A 49 10.299 7.210 -0.275 1.00 0.00 C ATOM 847 CD GLU A 49 10.894 8.618 -0.486 1.00 0.00 C ATOM 848 OE1 GLU A 49 11.783 8.791 -1.354 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.486 9.566 0.230 1.00 0.00 O ATOM 0 H GLU A 49 7.034 6.629 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 49 9.682 7.859 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.291 7.822 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.519 6.085 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.142 7.040 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.014 6.461 -0.615 1.00 0.00 H new ATOM 856 N VAL A 50 9.146 4.654 -3.377 1.00 0.00 N ATOM 857 CA VAL A 50 9.791 3.366 -3.707 1.00 0.00 C ATOM 858 C VAL A 50 9.322 2.749 -5.028 1.00 0.00 C ATOM 859 O VAL A 50 10.058 1.960 -5.609 1.00 0.00 O ATOM 860 CB VAL A 50 9.660 2.352 -2.547 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.096 2.940 -1.197 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.258 1.760 -2.384 1.00 0.00 C ATOM 0 H VAL A 50 8.127 4.623 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 50 10.845 3.604 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 50 10.336 1.547 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.984 2.186 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.140 3.249 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.475 3.803 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.254 1.059 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.545 2.561 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.975 1.237 -3.298 1.00 0.00 H new ATOM 872 N GLY A 51 8.140 3.096 -5.538 1.00 0.00 N ATOM 873 CA GLY A 51 7.501 2.474 -6.702 1.00 0.00 C ATOM 874 C GLY A 51 6.624 1.268 -6.345 1.00 0.00 C ATOM 875 O GLY A 51 6.919 0.508 -5.422 1.00 0.00 O ATOM 0 H GLY A 51 7.578 3.847 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.891 3.219 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.272 2.158 -7.404 1.00 0.00 H new ATOM 879 N LEU A 52 5.552 1.054 -7.118 1.00 0.00 N ATOM 880 CA LEU A 52 4.543 -0.009 -6.908 1.00 0.00 C ATOM 881 C LEU A 52 5.169 -1.426 -6.885 1.00 0.00 C ATOM 882 O LEU A 52 4.686 -2.372 -6.268 1.00 0.00 O ATOM 883 CB LEU A 52 3.501 0.124 -8.053 1.00 0.00 C ATOM 884 CG LEU A 52 2.076 -0.454 -7.891 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.982 -1.922 -7.485 1.00 0.00 C ATOM 886 CD2 LEU A 52 1.267 0.354 -6.887 1.00 0.00 C ATOM 0 H LEU A 52 5.350 1.631 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 52 4.074 0.116 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.394 1.187 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.936 -0.338 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 52 1.672 -0.384 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.934 -2.211 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.471 -2.540 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.474 -2.066 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.270 -0.075 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.764 0.332 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.187 1.386 -7.230 1.00 0.00 H new ATOM 898 N GLN A 53 6.306 -1.533 -7.552 1.00 0.00 N ATOM 899 CA GLN A 53 7.120 -2.744 -7.711 1.00 0.00 C ATOM 900 C GLN A 53 8.040 -3.063 -6.512 1.00 0.00 C ATOM 901 O GLN A 53 8.569 -4.174 -6.441 1.00 0.00 O ATOM 902 CB GLN A 53 7.895 -2.638 -9.037 1.00 0.00 C ATOM 903 CG GLN A 53 9.048 -1.618 -8.997 1.00 0.00 C ATOM 904 CD GLN A 53 9.526 -1.247 -10.399 1.00 0.00 C ATOM 905 OE1 GLN A 53 10.413 -1.866 -10.973 1.00 0.00 O ATOM 906 NE2 GLN A 53 8.952 -0.230 -11.012 1.00 0.00 N ATOM 0 H GLN A 53 6.718 -0.731 -8.030 1.00 0.00 H new ATOM 0 HA GLN A 53 6.443 -3.598 -7.740 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.297 -3.618 -9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.203 -2.360 -9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.720 -0.719 -8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.880 -2.032 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.212 0.295 -10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.248 0.032 -11.952 1.00 0.00 H new ATOM 915 N ASN A 54 8.239 -2.119 -5.576 1.00 0.00 N ATOM 916 CA ASN A 54 9.126 -2.278 -4.408 1.00 0.00 C ATOM 917 C ASN A 54 8.420 -2.190 -3.048 1.00 0.00 C ATOM 918 O ASN A 54 9.002 -2.563 -2.026 1.00 0.00 O ATOM 919 CB ASN A 54 10.280 -1.269 -4.485 1.00 0.00 C ATOM 920 CG ASN A 54 11.126 -1.408 -5.737 1.00 0.00 C ATOM 921 OD1 ASN A 54 11.685 -2.452 -6.039 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.249 -0.348 -6.499 1.00 0.00 N ATOM 0 H ASN A 54 7.781 -1.208 -5.609 1.00 0.00 H new ATOM 0 HA ASN A 54 9.509 -3.297 -4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.872 -0.259 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.918 -1.392 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.813 -0.393 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.781 0.521 -6.243 1.00 0.00 H new ATOM 929 N ILE A 55 7.163 -1.746 -3.029 1.00 0.00 N ATOM 930 CA ILE A 55 6.273 -1.946 -1.876 1.00 0.00 C ATOM 931 C ILE A 55 5.999 -3.442 -1.655 1.00 0.00 C ATOM 932 O ILE A 55 6.017 -4.237 -2.601 1.00 0.00 O ATOM 933 CB ILE A 55 4.954 -1.147 -1.979 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.075 -1.579 -3.164 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.220 0.363 -2.072 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.686 -0.948 -3.125 1.00 0.00 C ATOM 0 H ILE A 55 6.732 -1.241 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 55 6.798 -1.552 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 55 4.408 -1.369 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.568 -1.305 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.977 -2.665 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.272 0.896 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.756 0.694 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.821 0.573 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.108 -1.287 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.178 -1.243 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.779 0.138 -3.156 1.00 0.00 H new ATOM 948 N THR A 56 5.714 -3.832 -0.414 1.00 0.00 N ATOM 949 CA THR A 56 5.393 -5.213 -0.030 1.00 0.00 C ATOM 950 C THR A 56 4.121 -5.239 0.799 1.00 0.00 C ATOM 951 O THR A 56 3.919 -4.357 1.623 1.00 0.00 O ATOM 952 CB THR A 56 6.550 -5.859 0.762 1.00 0.00 C ATOM 953 OG1 THR A 56 7.248 -4.929 1.562 1.00 0.00 O ATOM 954 CG2 THR A 56 7.569 -6.506 -0.172 1.00 0.00 C ATOM 0 H THR A 56 5.698 -3.184 0.374 1.00 0.00 H new ATOM 0 HA THR A 56 5.244 -5.790 -0.942 1.00 0.00 H new ATOM 0 HB THR A 56 6.078 -6.606 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.060 -5.347 1.917 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.371 -6.952 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.080 -7.280 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.985 -5.749 -0.837 1.00 0.00 H new ATOM 962 N ALA A 57 3.271 -6.259 0.647 1.00 0.00 N ATOM 963 CA ALA A 57 2.013 -6.382 1.388 1.00 0.00 C ATOM 964 C ALA A 57 2.233 -6.493 2.907 1.00 0.00 C ATOM 965 O ALA A 57 1.366 -6.100 3.677 1.00 0.00 O ATOM 966 CB ALA A 57 1.252 -7.598 0.851 1.00 0.00 C ATOM 0 H ALA A 57 3.439 -7.029 -0.000 1.00 0.00 H new ATOM 0 HA ALA A 57 1.428 -5.475 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.311 -7.706 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.047 -7.459 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.855 -8.495 0.990 1.00 0.00 H new ATOM 972 N ILE A 58 3.409 -6.966 3.330 1.00 0.00 N ATOM 973 CA ILE A 58 3.853 -7.044 4.729 1.00 0.00 C ATOM 974 C ILE A 58 4.131 -5.643 5.290 1.00 0.00 C ATOM 975 O ILE A 58 3.817 -5.329 6.437 1.00 0.00 O ATOM 976 CB ILE A 58 5.152 -7.883 4.796 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.937 -9.401 4.569 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.805 -7.726 6.184 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.447 -9.827 3.178 1.00 0.00 C ATOM 0 H ILE A 58 4.110 -7.321 2.680 1.00 0.00 H new ATOM 0 HA ILE A 58 3.066 -7.508 5.324 1.00 0.00 H new ATOM 0 HB ILE A 58 5.780 -7.503 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.879 -9.912 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.218 -9.757 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.719 -8.319 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.045 -6.677 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.114 -8.071 6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.336 -10.911 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.485 -9.358 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.172 -9.515 2.426 1.00 0.00 H new ATOM 991 N THR A 59 4.772 -4.800 4.486 1.00 0.00 N ATOM 992 CA THR A 59 5.123 -3.434 4.875 1.00 0.00 C ATOM 993 C THR A 59 3.900 -2.538 4.753 1.00 0.00 C ATOM 994 O THR A 59 3.593 -1.775 5.662 1.00 0.00 O ATOM 995 CB THR A 59 6.276 -2.931 4.004 1.00 0.00 C ATOM 996 OG1 THR A 59 7.388 -3.790 4.133 1.00 0.00 O ATOM 997 CG2 THR A 59 6.736 -1.543 4.422 1.00 0.00 C ATOM 0 H THR A 59 5.065 -5.045 3.540 1.00 0.00 H new ATOM 0 HA THR A 59 5.453 -3.416 5.914 1.00 0.00 H new ATOM 0 HB THR A 59 5.907 -2.904 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.537 -4.262 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.556 -1.222 3.779 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.907 -0.842 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.076 -1.569 5.457 1.00 0.00 H new ATOM 1005 N LEU A 60 3.139 -2.690 3.673 1.00 0.00 N ATOM 1006 CA LEU A 60 1.899 -1.977 3.400 1.00 0.00 C ATOM 1007 C LEU A 60 0.792 -2.320 4.413 1.00 0.00 C ATOM 1008 O LEU A 60 0.085 -1.413 4.853 1.00 0.00 O ATOM 1009 CB LEU A 60 1.507 -2.286 1.944 1.00 0.00 C ATOM 1010 CG LEU A 60 0.414 -1.370 1.375 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.974 0.026 1.139 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.067 -1.906 0.031 1.00 0.00 C ATOM 0 H LEU A 60 3.383 -3.345 2.930 1.00 0.00 H new ATOM 0 HA LEU A 60 2.043 -0.903 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.395 -2.206 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.166 -3.320 1.884 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.407 -1.336 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.191 0.668 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.332 0.439 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.800 -0.028 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.842 -1.250 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.770 -1.942 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.473 -2.909 0.163 1.00 0.00 H new ATOM 1024 N SER A 61 0.709 -3.574 4.887 1.00 0.00 N ATOM 1025 CA SER A 61 -0.186 -3.952 5.997 1.00 0.00 C ATOM 1026 C SER A 61 0.101 -3.157 7.275 1.00 0.00 C ATOM 1027 O SER A 61 -0.790 -2.894 8.080 1.00 0.00 O ATOM 1028 CB SER A 61 -0.193 -5.454 6.295 1.00 0.00 C ATOM 1029 OG SER A 61 1.003 -5.877 6.914 1.00 0.00 O ATOM 0 H SER A 61 1.256 -4.351 4.516 1.00 0.00 H new ATOM 0 HA SER A 61 -1.185 -3.692 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.039 -5.691 6.941 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.336 -6.007 5.367 1.00 0.00 H new ATOM 0 HG SER A 61 1.768 -5.457 6.469 1.00 0.00 H new ATOM 1035 N LYS A 62 1.342 -2.694 7.427 1.00 0.00 N ATOM 1036 CA LYS A 62 1.815 -1.934 8.588 1.00 0.00 C ATOM 1037 C LYS A 62 1.865 -0.417 8.369 1.00 0.00 C ATOM 1038 O LYS A 62 1.619 0.328 9.317 1.00 0.00 O ATOM 1039 CB LYS A 62 3.160 -2.493 9.077 1.00 0.00 C ATOM 1040 CG LYS A 62 3.009 -3.923 9.622 1.00 0.00 C ATOM 1041 CD LYS A 62 4.335 -4.432 10.195 1.00 0.00 C ATOM 1042 CE LYS A 62 4.164 -5.866 10.710 1.00 0.00 C ATOM 1043 NZ LYS A 62 5.417 -6.381 11.322 1.00 0.00 N ATOM 0 H LYS A 62 2.068 -2.841 6.726 1.00 0.00 H new ATOM 0 HA LYS A 62 1.070 -2.070 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.877 -2.489 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.563 -1.846 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.242 -3.942 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.674 -4.587 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.108 -4.402 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.664 -3.782 11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.360 -5.896 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.867 -6.516 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.265 -7.353 11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.177 -6.376 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.687 -5.775 12.123 1.00 0.00 H new ATOM 1057 N LYS A 63 2.095 0.058 7.136 1.00 0.00 N ATOM 1058 CA LYS A 63 2.120 1.486 6.769 1.00 0.00 C ATOM 1059 C LYS A 63 0.764 2.162 6.984 1.00 0.00 C ATOM 1060 O LYS A 63 0.718 3.327 7.374 1.00 0.00 O ATOM 1061 CB LYS A 63 2.545 1.582 5.294 1.00 0.00 C ATOM 1062 CG LYS A 63 4.034 1.275 5.066 1.00 0.00 C ATOM 1063 CD LYS A 63 4.856 2.541 4.809 1.00 0.00 C ATOM 1064 CE LYS A 63 6.334 2.222 4.566 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.069 1.933 5.827 1.00 0.00 N ATOM 0 H LYS A 63 2.274 -0.557 6.342 1.00 0.00 H new ATOM 0 HA LYS A 63 2.827 2.010 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.944 0.889 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.328 2.585 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.433 0.756 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.137 0.599 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.451 3.068 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.765 3.213 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.412 1.364 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.806 3.064 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.064 1.723 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.019 2.760 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.638 1.113 6.300 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.327 1.421 6.760 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.711 1.906 6.863 1.00 0.00 C ATOM 1081 C LEU A 64 -2.546 1.189 7.934 1.00 0.00 C ATOM 1082 O LEU A 64 -3.752 1.431 8.017 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.382 1.881 5.475 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.593 2.620 4.385 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -0.782 1.672 3.504 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.549 3.341 3.460 1.00 0.00 C ATOM 0 H LEU A 64 -0.271 0.438 6.494 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.663 2.938 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.520 0.844 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.374 2.325 5.555 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.922 3.303 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.244 2.247 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.069 1.123 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.454 0.968 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.984 3.864 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.218 2.618 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.135 4.061 4.031 1.00 0.00 H new ATOM 1098 N ASN A 65 -1.915 0.351 8.770 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.549 -0.367 9.884 1.00 0.00 C ATOM 1100 C ASN A 65 -3.762 -1.212 9.411 1.00 0.00 C ATOM 1101 O ASN A 65 -4.915 -0.979 9.780 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.788 0.663 11.012 1.00 0.00 C ATOM 1103 CG ASN A 65 -3.681 0.181 12.139 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -3.355 -0.727 12.891 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -4.835 0.796 12.284 1.00 0.00 N ATOM 0 H ASN A 65 -0.919 0.149 8.686 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.909 -1.141 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.824 0.952 11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.229 1.560 10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.471 0.517 13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.094 1.552 11.649 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.484 -2.180 8.532 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.461 -2.997 7.793 1.00 0.00 C ATOM 1114 C ILE A 66 -4.056 -4.481 7.776 1.00 0.00 C ATOM 1115 O ILE A 66 -2.997 -4.860 8.276 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.637 -2.437 6.358 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.341 -1.860 5.744 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.718 -1.347 6.384 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.341 -1.842 4.207 1.00 0.00 C ATOM 0 H ILE A 66 -2.522 -2.430 8.302 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.421 -2.940 8.306 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.925 -3.276 5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.197 -0.844 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.492 -2.448 6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.852 -0.944 5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.658 -1.775 6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.412 -0.547 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.400 -1.424 3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.453 -2.859 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.169 -1.230 3.850 1.00 0.00 H new ATOM 1131 N THR A 67 -4.899 -5.350 7.210 1.00 0.00 N ATOM 1132 CA THR A 67 -4.544 -6.760 6.982 1.00 0.00 C ATOM 1133 C THR A 67 -3.578 -6.901 5.800 1.00 0.00 C ATOM 1134 O THR A 67 -3.508 -6.031 4.931 1.00 0.00 O ATOM 1135 CB THR A 67 -5.783 -7.645 6.762 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.391 -7.339 5.529 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.835 -7.478 7.858 1.00 0.00 C ATOM 0 H THR A 67 -5.838 -5.103 6.899 1.00 0.00 H new ATOM 0 HA THR A 67 -4.047 -7.107 7.888 1.00 0.00 H new ATOM 0 HB THR A 67 -5.424 -8.674 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.177 -7.910 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.685 -8.127 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.402 -7.747 8.822 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.169 -6.441 7.887 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.859 -8.027 5.718 1.00 0.00 N ATOM 1146 CA VAL A 68 -2.060 -8.380 4.524 1.00 0.00 C ATOM 1147 C VAL A 68 -2.969 -8.656 3.315 1.00 0.00 C ATOM 1148 O VAL A 68 -2.581 -8.399 2.179 1.00 0.00 O ATOM 1149 CB VAL A 68 -1.122 -9.570 4.829 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.283 -10.008 3.621 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.119 -9.214 5.936 1.00 0.00 C ATOM 0 H VAL A 68 -2.810 -8.718 6.467 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.432 -7.528 4.263 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.791 -10.378 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.353 -10.847 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.944 -10.312 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.339 -9.177 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.528 -10.070 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.487 -8.365 5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.659 -8.954 6.846 1.00 0.00 H new ATOM 1161 N GLU A 69 -4.217 -9.078 3.533 1.00 0.00 N ATOM 1162 CA GLU A 69 -5.174 -9.442 2.482 1.00 0.00 C ATOM 1163 C GLU A 69 -5.778 -8.195 1.826 1.00 0.00 C ATOM 1164 O GLU A 69 -6.038 -8.201 0.621 1.00 0.00 O ATOM 1165 CB GLU A 69 -6.276 -10.340 3.065 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.730 -11.689 3.553 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.865 -12.594 4.069 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -7.180 -12.548 5.283 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -7.446 -13.364 3.266 1.00 0.00 O ATOM 0 H GLU A 69 -4.602 -9.179 4.472 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.642 -9.995 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.760 -9.825 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.040 -10.512 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.205 -12.188 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.003 -11.524 4.348 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.910 -7.102 2.594 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.290 -5.774 2.114 1.00 0.00 C ATOM 1178 C LYS A 70 -5.102 -4.806 1.992 1.00 0.00 C ATOM 1179 O LYS A 70 -5.283 -3.599 1.876 1.00 0.00 O ATOM 1180 CB LYS A 70 -7.581 -5.274 2.796 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.452 -4.367 4.032 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.523 -2.862 3.688 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.567 -2.090 4.508 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.957 -2.373 4.061 1.00 0.00 N ATOM 0 H LYS A 70 -5.748 -7.125 3.601 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.587 -5.843 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.164 -4.736 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.164 -6.149 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.246 -4.610 4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.506 -4.575 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.543 -2.414 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.752 -2.751 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.466 -2.353 5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.372 -1.021 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.626 -1.830 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.064 -2.098 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.154 -3.389 4.163 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.887 -5.358 1.964 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.689 -4.727 1.414 1.00 0.00 C ATOM 1200 C ALA A 71 -2.316 -5.318 0.036 1.00 0.00 C ATOM 1201 O ALA A 71 -2.008 -4.583 -0.903 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.559 -4.900 2.432 1.00 0.00 C ATOM 0 H ALA A 71 -3.706 -6.290 2.337 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.872 -3.666 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.650 -4.438 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.839 -4.424 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.382 -5.962 2.602 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.367 -6.650 -0.120 1.00 0.00 N ATOM 1209 CA LYS A 72 -1.962 -7.349 -1.350 1.00 0.00 C ATOM 1210 C LYS A 72 -2.968 -7.174 -2.476 1.00 0.00 C ATOM 1211 O LYS A 72 -2.592 -7.225 -3.643 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.683 -8.835 -1.056 1.00 0.00 C ATOM 1213 CG LYS A 72 -2.950 -9.673 -0.795 1.00 0.00 C ATOM 1214 CD LYS A 72 -2.634 -11.018 -0.124 1.00 0.00 C ATOM 1215 CE LYS A 72 -1.779 -11.946 -0.996 1.00 0.00 C ATOM 1216 NZ LYS A 72 -2.591 -12.662 -2.016 1.00 0.00 N ATOM 0 H LYS A 72 -2.694 -7.279 0.613 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.037 -6.891 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.143 -9.266 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.028 -8.906 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.633 -9.106 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.464 -9.853 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.114 -10.834 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.569 -11.522 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.005 -11.363 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.272 -12.673 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.973 -13.277 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.314 -13.240 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.055 -11.970 -2.639 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.227 -6.904 -2.131 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.277 -6.573 -3.095 1.00 0.00 C ATOM 1232 C ASN A 73 -4.903 -5.397 -4.024 1.00 0.00 C ATOM 1233 O ASN A 73 -5.184 -5.446 -5.221 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.588 -6.276 -2.336 1.00 0.00 C ATOM 1235 CG ASN A 73 -6.504 -5.044 -1.444 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -5.467 -4.716 -0.897 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.573 -4.312 -1.268 1.00 0.00 N ATOM 0 H ASN A 73 -4.550 -6.909 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.408 -7.437 -3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.394 -6.139 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.850 -7.140 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.530 -3.480 -0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.450 -4.573 -1.719 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.247 -4.365 -3.488 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.787 -3.165 -4.179 1.00 0.00 C ATOM 1246 C TYR A 74 -2.641 -3.509 -5.123 1.00 0.00 C ATOM 1247 O TYR A 74 -2.677 -3.158 -6.297 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.323 -2.126 -3.144 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.349 -1.676 -2.114 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -5.630 -1.232 -2.506 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -3.989 -1.654 -0.752 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -6.550 -0.774 -1.540 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -4.890 -1.156 0.207 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.183 -0.741 -0.176 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.063 -0.327 0.777 1.00 0.00 O ATOM 0 H TYR A 74 -4.009 -4.347 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.608 -2.751 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.465 -2.537 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.972 -1.245 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.907 -1.243 -3.550 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.021 -2.020 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.534 -0.449 -1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.590 -1.091 1.242 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.636 -0.372 1.658 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.660 -4.271 -4.633 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.480 -4.682 -5.401 1.00 0.00 C ATOM 1267 C ILE A 75 -0.905 -5.603 -6.557 1.00 0.00 C ATOM 1268 O ILE A 75 -0.481 -5.406 -7.694 1.00 0.00 O ATOM 1269 CB ILE A 75 0.567 -5.327 -4.455 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.935 -4.359 -3.299 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.830 -5.713 -5.246 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.844 -4.950 -2.215 1.00 0.00 C ATOM 0 H ILE A 75 -1.662 -4.626 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 75 0.000 -3.814 -5.852 1.00 0.00 H new ATOM 0 HB ILE A 75 0.130 -6.227 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.425 -3.483 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.014 -4.013 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.558 -6.165 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.567 -6.427 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.261 -4.821 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.042 -4.195 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.352 -5.808 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.785 -5.268 -2.663 1.00 0.00 H new ATOM 1284 N LYS A 76 -1.818 -6.552 -6.321 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.255 -7.548 -7.306 1.00 0.00 C ATOM 1286 C LYS A 76 -3.090 -6.932 -8.433 1.00 0.00 C ATOM 1287 O LYS A 76 -2.991 -7.409 -9.562 1.00 0.00 O ATOM 1288 CB LYS A 76 -2.979 -8.694 -6.569 1.00 0.00 C ATOM 1289 CG LYS A 76 -3.321 -9.913 -7.451 1.00 0.00 C ATOM 1290 CD LYS A 76 -2.114 -10.694 -8.007 1.00 0.00 C ATOM 1291 CE LYS A 76 -1.336 -11.492 -6.947 1.00 0.00 C ATOM 1292 NZ LYS A 76 -1.998 -12.784 -6.619 1.00 0.00 N ATOM 0 H LYS A 76 -2.284 -6.651 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.381 -7.960 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.354 -9.026 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.901 -8.305 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.937 -10.598 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.928 -9.573 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.464 -11.381 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.433 -9.993 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.326 -11.685 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.242 -10.894 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.439 -13.288 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.953 -12.601 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.065 -13.367 -7.477 1.00 0.00 H new ATOM 1306 N ASN A 77 -3.861 -5.866 -8.169 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.603 -5.176 -9.224 1.00 0.00 C ATOM 1308 C ASN A 77 -3.769 -4.071 -9.886 1.00 0.00 C ATOM 1309 O ASN A 77 -3.831 -3.905 -11.106 1.00 0.00 O ATOM 1310 CB ASN A 77 -5.973 -4.683 -8.726 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.039 -3.323 -8.050 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -6.119 -2.288 -8.690 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.107 -3.283 -6.743 1.00 0.00 N ATOM 0 H ASN A 77 -3.984 -5.468 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.808 -5.904 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.652 -4.665 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.360 -5.423 -8.026 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.226 -2.390 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.041 -4.145 -6.202 1.00 0.00 H new ATOM 1597 N GLU A 95 -10.390 12.556 -37.185 1.00 0.00 N ATOM 1598 CA GLU A 95 -9.679 13.613 -37.925 1.00 0.00 C ATOM 1599 C GLU A 95 -10.362 13.911 -39.276 1.00 0.00 C ATOM 1600 O GLU A 95 -11.151 13.107 -39.783 1.00 0.00 O ATOM 1601 CB GLU A 95 -8.206 13.217 -38.131 1.00 0.00 C ATOM 1602 CG GLU A 95 -7.424 13.104 -36.814 1.00 0.00 C ATOM 1603 CD GLU A 95 -5.936 12.804 -37.084 1.00 0.00 C ATOM 1604 OE1 GLU A 95 -5.549 11.610 -37.125 1.00 0.00 O ATOM 1605 OE2 GLU A 95 -5.139 13.759 -37.255 1.00 0.00 O ATOM 0 HA GLU A 95 -9.716 14.527 -37.332 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.162 12.263 -38.656 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.723 13.955 -38.771 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.516 14.033 -36.251 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.853 12.314 -36.198 1.00 0.00 H new ATOM 1612 N GLU A 96 -10.054 15.063 -39.878 1.00 0.00 N ATOM 1613 CA GLU A 96 -10.619 15.523 -41.153 1.00 0.00 C ATOM 1614 C GLU A 96 -9.523 16.088 -42.063 1.00 0.00 C ATOM 1615 O GLU A 96 -8.807 17.023 -41.699 1.00 0.00 O ATOM 1616 CB GLU A 96 -11.737 16.547 -40.882 1.00 0.00 C ATOM 1617 CG GLU A 96 -12.477 16.963 -42.160 1.00 0.00 C ATOM 1618 CD GLU A 96 -13.628 17.935 -41.838 1.00 0.00 C ATOM 1619 OE1 GLU A 96 -14.774 17.475 -41.611 1.00 0.00 O ATOM 1620 OE2 GLU A 96 -13.400 19.170 -41.815 1.00 0.00 O ATOM 0 H GLU A 96 -9.385 15.722 -39.481 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.058 14.677 -41.682 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.450 16.123 -40.175 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.308 17.431 -40.410 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.779 17.436 -42.851 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.872 16.079 -42.660 1.00 0.00 H new ATOM 1627 N VAL A 97 -9.414 15.507 -43.261 1.00 0.00 N ATOM 1628 CA VAL A 97 -8.487 15.915 -44.327 1.00 0.00 C ATOM 1629 C VAL A 97 -9.226 15.973 -45.668 1.00 0.00 C ATOM 1630 O VAL A 97 -9.876 15.002 -46.060 1.00 0.00 O ATOM 1631 CB VAL A 97 -7.276 14.958 -44.422 1.00 0.00 C ATOM 1632 CG1 VAL A 97 -6.314 15.377 -45.543 1.00 0.00 C ATOM 1633 CG2 VAL A 97 -6.473 14.915 -43.115 1.00 0.00 C ATOM 0 H VAL A 97 -9.990 14.709 -43.528 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.106 16.907 -44.083 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.694 13.973 -44.631 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.475 14.682 -45.581 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.840 15.363 -46.498 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.943 16.383 -45.347 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.632 14.231 -43.227 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.100 15.913 -42.884 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.115 14.571 -42.304 1.00 0.00 H new ATOM 1643 N SER A 98 -9.119 17.103 -46.376 1.00 0.00 N ATOM 1644 CA SER A 98 -9.667 17.280 -47.733 1.00 0.00 C ATOM 1645 C SER A 98 -9.028 18.464 -48.480 1.00 0.00 C ATOM 1646 O SER A 98 -8.445 18.281 -49.551 1.00 0.00 O ATOM 1647 CB SER A 98 -11.189 17.470 -47.644 1.00 0.00 C ATOM 1648 OG SER A 98 -11.761 17.625 -48.933 1.00 0.00 O ATOM 0 H SER A 98 -8.644 17.933 -46.021 1.00 0.00 H new ATOM 0 HA SER A 98 -9.431 16.383 -48.305 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.637 16.611 -47.145 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.414 18.346 -47.035 1.00 0.00 H new ATOM 0 HG SER A 98 -12.730 17.742 -48.849 1.00 0.00 H new ATOM 1654 N SER A 99 -9.090 19.673 -47.904 1.00 0.00 N ATOM 1655 CA SER A 99 -8.626 20.916 -48.554 1.00 0.00 C ATOM 1656 C SER A 99 -7.102 21.115 -48.483 1.00 0.00 C ATOM 1657 O SER A 99 -6.503 21.702 -49.388 1.00 0.00 O ATOM 1658 CB SER A 99 -9.359 22.109 -47.923 1.00 0.00 C ATOM 1659 OG SER A 99 -9.139 23.298 -48.664 1.00 0.00 O ATOM 0 H SER A 99 -9.466 19.821 -46.967 1.00 0.00 H new ATOM 0 HA SER A 99 -8.862 20.839 -49.615 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.428 21.899 -47.877 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.017 22.248 -46.898 1.00 0.00 H new ATOM 0 HG SER A 99 -9.618 24.041 -48.241 1.00 0.00 H new ATOM 1665 N MET A 100 -6.459 20.593 -47.430 1.00 0.00 N ATOM 1666 CA MET A 100 -5.017 20.700 -47.179 1.00 0.00 C ATOM 1667 C MET A 100 -4.457 19.337 -46.744 1.00 0.00 C ATOM 1668 O MET A 100 -4.838 18.808 -45.699 1.00 0.00 O ATOM 1669 CB MET A 100 -4.783 21.794 -46.123 1.00 0.00 C ATOM 1670 CG MET A 100 -3.329 22.268 -46.062 1.00 0.00 C ATOM 1671 SD MET A 100 -3.075 23.597 -44.851 1.00 0.00 S ATOM 1672 CE MET A 100 -1.495 24.265 -45.438 1.00 0.00 C ATOM 0 H MET A 100 -6.946 20.067 -46.705 1.00 0.00 H new ATOM 0 HA MET A 100 -4.487 20.983 -48.088 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.428 22.645 -46.341 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.077 21.415 -45.144 1.00 0.00 H new ATOM 0 HG2 MET A 100 -2.687 21.424 -45.810 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.023 22.617 -47.048 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.192 25.095 -44.800 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.735 23.485 -45.404 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.607 24.617 -46.463 1.00 0.00 H new ATOM 1682 N GLU A 101 -3.578 18.755 -47.564 1.00 0.00 N ATOM 1683 CA GLU A 101 -3.109 17.359 -47.430 1.00 0.00 C ATOM 1684 C GLU A 101 -1.592 17.231 -47.172 1.00 0.00 C ATOM 1685 O GLU A 101 -1.091 16.160 -46.826 1.00 0.00 O ATOM 1686 CB GLU A 101 -3.568 16.593 -48.688 1.00 0.00 C ATOM 1687 CG GLU A 101 -3.549 15.064 -48.552 1.00 0.00 C ATOM 1688 CD GLU A 101 -4.128 14.396 -49.815 1.00 0.00 C ATOM 1689 OE1 GLU A 101 -5.355 14.132 -49.863 1.00 0.00 O ATOM 1690 OE2 GLU A 101 -3.360 14.121 -50.770 1.00 0.00 O ATOM 0 H GLU A 101 -3.160 19.243 -48.356 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.553 16.919 -46.537 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.580 16.909 -48.940 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.928 16.878 -49.523 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.527 14.721 -48.390 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.128 14.765 -47.678 1.00 0.00 H new ATOM 1697 N ALA A 102 -0.856 18.336 -47.304 1.00 0.00 N ATOM 1698 CA ALA A 102 0.597 18.398 -47.140 1.00 0.00 C ATOM 1699 C ALA A 102 1.003 18.638 -45.672 1.00 0.00 C ATOM 1700 O ALA A 102 0.590 19.630 -45.060 1.00 0.00 O ATOM 1701 CB ALA A 102 1.153 19.474 -48.082 1.00 0.00 C ATOM 0 H ALA A 102 -1.268 19.240 -47.535 1.00 0.00 H new ATOM 0 HA ALA A 102 1.031 17.435 -47.407 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.236 19.531 -47.970 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.908 19.217 -49.113 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.711 20.439 -47.833 1.00 0.00 H new ATOM 1707 N LYS A 103 1.842 17.749 -45.124 1.00 0.00 N ATOM 1708 CA LYS A 103 2.443 17.835 -43.778 1.00 0.00 C ATOM 1709 C LYS A 103 3.901 17.356 -43.809 1.00 0.00 C ATOM 1710 O LYS A 103 4.190 16.307 -44.391 1.00 0.00 O ATOM 1711 CB LYS A 103 1.634 16.999 -42.764 1.00 0.00 C ATOM 1712 CG LYS A 103 0.208 17.530 -42.532 1.00 0.00 C ATOM 1713 CD LYS A 103 -0.535 16.793 -41.407 1.00 0.00 C ATOM 1714 CE LYS A 103 -0.796 15.319 -41.748 1.00 0.00 C ATOM 1715 NZ LYS A 103 -1.568 14.639 -40.674 1.00 0.00 N ATOM 0 H LYS A 103 2.136 16.911 -45.626 1.00 0.00 H new ATOM 0 HA LYS A 103 2.422 18.878 -43.464 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.577 15.969 -43.117 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.166 16.981 -41.813 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.257 18.592 -42.292 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.362 17.438 -43.456 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.049 16.853 -40.489 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.484 17.292 -41.214 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.344 15.254 -42.688 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.154 14.805 -41.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.727 13.645 -40.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.034 14.681 -39.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.484 15.115 -40.551 1.00 0.00 H new