USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 60 ASN : amide:sc= -10! C(o=-12!,f=-14!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -1.71 USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot -134:sc= 0.0201! USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 8 GLN : amide:sc= -1.96 X(o=-2,f=-2) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -0.463 (180deg=-1.81!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 73:sc= 0.0437 USER MOD Single : A 41 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.215 K(o=-0.21,f=-0.88) USER MOD Single : A 53 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.519 -14.190 3.577 1.00 0.00 N ATOM 106 CA GLU A 7 -13.723 -15.324 3.139 1.00 0.00 C ATOM 107 C GLU A 7 -12.780 -14.905 2.009 1.00 0.00 C ATOM 108 O GLU A 7 -11.637 -15.355 1.951 1.00 0.00 O ATOM 109 CB GLU A 7 -14.617 -16.487 2.704 1.00 0.00 C ATOM 110 CG GLU A 7 -15.177 -17.231 3.918 1.00 0.00 C ATOM 111 CD GLU A 7 -14.880 -18.729 3.828 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.612 -19.409 3.076 1.00 0.00 O ATOM 113 OE2 GLU A 7 -13.927 -19.161 4.512 1.00 0.00 O ATOM 0 HA GLU A 7 -13.121 -15.667 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.438 -16.111 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.046 -17.176 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.741 -16.825 4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.254 -17.073 3.981 1.00 0.00 H new ATOM 120 N GLN A 8 -13.294 -14.049 1.139 1.00 0.00 N ATOM 121 CA GLN A 8 -12.512 -13.565 0.014 1.00 0.00 C ATOM 122 C GLN A 8 -11.455 -12.568 0.492 1.00 0.00 C ATOM 123 O GLN A 8 -10.296 -12.645 0.088 1.00 0.00 O ATOM 124 CB GLN A 8 -13.414 -12.938 -1.052 1.00 0.00 C ATOM 125 CG GLN A 8 -13.632 -13.901 -2.221 1.00 0.00 C ATOM 126 CD GLN A 8 -12.295 -14.389 -2.785 1.00 0.00 C ATOM 127 OE1 GLN A 8 -11.341 -13.642 -2.925 1.00 0.00 O ATOM 128 NE2 GLN A 8 -12.281 -15.681 -3.099 1.00 0.00 N ATOM 0 H GLN A 8 -14.243 -13.678 1.190 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.003 -14.415 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.375 -12.673 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.965 -12.014 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.224 -14.754 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.202 -13.403 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.116 -16.250 -2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.436 -16.103 -3.483 1.00 0.00 H new ATOM 137 N ILE A 9 -11.893 -11.654 1.346 1.00 0.00 N ATOM 138 CA ILE A 9 -10.998 -10.643 1.884 1.00 0.00 C ATOM 139 C ILE A 9 -9.816 -11.328 2.572 1.00 0.00 C ATOM 140 O ILE A 9 -8.664 -10.960 2.348 1.00 0.00 O ATOM 141 CB ILE A 9 -11.764 -9.679 2.792 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.381 -8.227 2.497 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.563 -10.037 4.266 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.337 -7.604 1.478 1.00 0.00 C ATOM 0 H ILE A 9 -12.855 -11.592 1.678 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.588 -10.031 1.081 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.828 -9.781 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.400 -7.648 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.361 -8.187 2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.118 -9.336 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.925 -11.049 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.503 -9.981 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.042 -6.572 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.298 -8.171 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.353 -7.624 1.873 1.00 0.00 H new ATOM 156 N ALA A 10 -10.142 -12.313 3.396 1.00 0.00 N ATOM 157 CA ALA A 10 -9.122 -13.053 4.119 1.00 0.00 C ATOM 158 C ALA A 10 -7.924 -13.294 3.198 1.00 0.00 C ATOM 159 O ALA A 10 -6.776 -13.216 3.633 1.00 0.00 O ATOM 160 CB ALA A 10 -9.718 -14.357 4.653 1.00 0.00 C ATOM 0 H ALA A 10 -11.099 -12.616 3.579 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.769 -12.481 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.952 -14.912 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.546 -14.130 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.081 -14.959 3.820 1.00 0.00 H new ATOM 166 N GLU A 11 -8.233 -13.583 1.942 1.00 0.00 N ATOM 167 CA GLU A 11 -7.196 -13.835 0.956 1.00 0.00 C ATOM 168 C GLU A 11 -6.438 -12.544 0.639 1.00 0.00 C ATOM 169 O GLU A 11 -5.209 -12.536 0.600 1.00 0.00 O ATOM 170 CB GLU A 11 -7.786 -14.450 -0.315 1.00 0.00 C ATOM 171 CG GLU A 11 -8.476 -15.782 -0.010 1.00 0.00 C ATOM 172 CD GLU A 11 -9.111 -16.371 -1.272 1.00 0.00 C ATOM 173 OE1 GLU A 11 -9.902 -15.639 -1.904 1.00 0.00 O ATOM 174 OE2 GLU A 11 -8.791 -17.541 -1.574 1.00 0.00 O ATOM 0 H GLU A 11 -9.186 -13.648 1.585 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.491 -14.553 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.502 -13.759 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.995 -14.605 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.751 -16.486 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.242 -15.633 0.752 1.00 0.00 H new ATOM 181 N PHE A 12 -7.204 -11.485 0.421 1.00 0.00 N ATOM 182 CA PHE A 12 -6.620 -10.192 0.110 1.00 0.00 C ATOM 183 C PHE A 12 -5.643 -9.753 1.203 1.00 0.00 C ATOM 184 O PHE A 12 -4.678 -9.041 0.929 1.00 0.00 O ATOM 185 CB PHE A 12 -7.771 -9.187 0.038 1.00 0.00 C ATOM 186 CG PHE A 12 -8.465 -9.131 -1.325 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.027 -10.254 -1.848 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.519 -7.960 -2.013 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.670 -10.203 -3.113 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.162 -7.908 -3.278 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.725 -9.031 -3.801 1.00 0.00 C ATOM 0 H PHE A 12 -8.223 -11.496 0.454 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.070 -10.249 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.509 -9.440 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.389 -8.195 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.984 -11.184 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.073 -7.069 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.115 -11.095 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.204 -6.978 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.216 -8.992 -4.762 1.00 0.00 H new ATOM 201 N LYS A 13 -5.928 -10.196 2.418 1.00 0.00 N ATOM 202 CA LYS A 13 -5.087 -9.858 3.554 1.00 0.00 C ATOM 203 C LYS A 13 -3.618 -9.904 3.127 1.00 0.00 C ATOM 204 O LYS A 13 -2.932 -8.883 3.139 1.00 0.00 O ATOM 205 CB LYS A 13 -5.408 -10.761 4.747 1.00 0.00 C ATOM 206 CG LYS A 13 -6.810 -10.474 5.289 1.00 0.00 C ATOM 207 CD LYS A 13 -6.970 -11.017 6.711 1.00 0.00 C ATOM 208 CE LYS A 13 -8.418 -10.891 7.186 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.986 -12.226 7.477 1.00 0.00 N ATOM 0 H LYS A 13 -6.729 -10.786 2.641 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.291 -8.841 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.337 -11.806 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.671 -10.605 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.993 -9.399 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.556 -10.928 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.663 -12.062 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.313 -10.472 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.461 -10.268 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.016 -10.394 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.953 -12.282 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.397 -12.958 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.008 -12.377 8.506 1.00 0.00 H new ATOM 223 N GLU A 14 -3.179 -11.099 2.760 1.00 0.00 N ATOM 224 CA GLU A 14 -1.804 -11.291 2.330 1.00 0.00 C ATOM 225 C GLU A 14 -1.400 -10.196 1.340 1.00 0.00 C ATOM 226 O GLU A 14 -0.271 -9.709 1.374 1.00 0.00 O ATOM 227 CB GLU A 14 -1.609 -12.680 1.720 1.00 0.00 C ATOM 228 CG GLU A 14 -1.784 -13.772 2.777 1.00 0.00 C ATOM 229 CD GLU A 14 -0.880 -14.971 2.483 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.343 -15.862 1.739 1.00 0.00 O ATOM 231 OE2 GLU A 14 0.255 -14.968 3.008 1.00 0.00 O ATOM 0 H GLU A 14 -3.751 -11.944 2.751 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.157 -11.220 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.327 -12.831 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.615 -12.751 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.551 -13.369 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.825 -14.095 2.803 1.00 0.00 H new ATOM 238 N ALA A 15 -2.344 -9.842 0.480 1.00 0.00 N ATOM 239 CA ALA A 15 -2.100 -8.814 -0.517 1.00 0.00 C ATOM 240 C ALA A 15 -1.564 -7.557 0.172 1.00 0.00 C ATOM 241 O ALA A 15 -0.497 -7.059 -0.182 1.00 0.00 O ATOM 242 CB ALA A 15 -3.387 -8.546 -1.300 1.00 0.00 C ATOM 0 H ALA A 15 -3.279 -10.249 0.453 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.346 -9.144 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.204 -7.775 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.709 -9.462 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.166 -8.210 -0.616 1.00 0.00 H new ATOM 248 N PHE A 16 -2.330 -7.081 1.142 1.00 0.00 N ATOM 249 CA PHE A 16 -1.945 -5.892 1.884 1.00 0.00 C ATOM 250 C PHE A 16 -0.535 -6.037 2.459 1.00 0.00 C ATOM 251 O PHE A 16 0.220 -5.068 2.512 1.00 0.00 O ATOM 252 CB PHE A 16 -2.940 -5.743 3.037 1.00 0.00 C ATOM 253 CG PHE A 16 -2.798 -4.434 3.815 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.267 -3.272 3.284 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.204 -4.431 5.038 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.135 -2.057 4.007 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.072 -3.216 5.761 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.541 -2.055 5.230 1.00 0.00 C ATOM 0 H PHE A 16 -3.215 -7.497 1.432 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.952 -5.024 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.953 -5.810 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.811 -6.579 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.740 -3.274 2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.832 -5.353 5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.506 -1.135 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.599 -3.214 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.442 -1.131 5.780 1.00 0.00 H new ATOM 268 N SER A 17 -0.222 -7.256 2.875 1.00 0.00 N ATOM 269 CA SER A 17 1.084 -7.540 3.445 1.00 0.00 C ATOM 270 C SER A 17 2.182 -7.164 2.448 1.00 0.00 C ATOM 271 O SER A 17 3.109 -6.431 2.787 1.00 0.00 O ATOM 272 CB SER A 17 1.205 -9.014 3.837 1.00 0.00 C ATOM 273 OG SER A 17 2.120 -9.206 4.913 1.00 0.00 O ATOM 0 H SER A 17 -0.851 -8.058 2.829 1.00 0.00 H new ATOM 0 HA SER A 17 1.201 -6.941 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.224 -9.395 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.533 -9.593 2.974 1.00 0.00 H new ATOM 0 HG SER A 17 2.168 -10.159 5.135 1.00 0.00 H new ATOM 279 N LEU A 18 2.041 -7.684 1.237 1.00 0.00 N ATOM 280 CA LEU A 18 3.010 -7.412 0.189 1.00 0.00 C ATOM 281 C LEU A 18 3.494 -5.966 0.310 1.00 0.00 C ATOM 282 O LEU A 18 4.693 -5.701 0.232 1.00 0.00 O ATOM 283 CB LEU A 18 2.423 -7.751 -1.183 1.00 0.00 C ATOM 284 CG LEU A 18 3.037 -8.958 -1.896 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.205 -10.219 -1.654 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.229 -8.675 -3.387 1.00 0.00 C ATOM 0 H LEU A 18 1.271 -8.292 0.959 1.00 0.00 H new ATOM 0 HA LEU A 18 3.885 -8.052 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.354 -7.929 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.532 -6.879 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 18 4.025 -9.138 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.663 -11.062 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.164 -10.428 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.194 -10.066 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.667 -9.549 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.264 -8.454 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.894 -7.820 -3.512 1.00 0.00 H new ATOM 298 N PHE A 19 2.538 -5.069 0.501 1.00 0.00 N ATOM 299 CA PHE A 19 2.853 -3.657 0.634 1.00 0.00 C ATOM 300 C PHE A 19 3.251 -3.317 2.071 1.00 0.00 C ATOM 301 O PHE A 19 4.237 -2.617 2.297 1.00 0.00 O ATOM 302 CB PHE A 19 1.585 -2.880 0.272 1.00 0.00 C ATOM 303 CG PHE A 19 1.312 -2.800 -1.232 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.154 -2.100 -2.039 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.229 -3.429 -1.761 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.900 -2.026 -3.434 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.024 -3.355 -3.156 1.00 0.00 C ATOM 308 CZ PHE A 19 0.817 -2.655 -3.963 1.00 0.00 C ATOM 0 H PHE A 19 1.545 -5.293 0.567 1.00 0.00 H new ATOM 0 HA PHE A 19 3.689 -3.399 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.732 -3.349 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.665 -1.869 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.015 -1.601 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.439 -3.985 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.568 -1.470 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.884 -3.855 -3.576 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.625 -2.599 -5.024 1.00 0.00 H new ATOM 318 N ASP A 20 2.465 -3.829 3.006 1.00 0.00 N ATOM 319 CA ASP A 20 2.723 -3.589 4.416 1.00 0.00 C ATOM 320 C ASP A 20 3.773 -4.585 4.914 1.00 0.00 C ATOM 321 O ASP A 20 3.430 -5.657 5.411 1.00 0.00 O ATOM 322 CB ASP A 20 1.455 -3.782 5.249 1.00 0.00 C ATOM 323 CG ASP A 20 1.672 -3.795 6.764 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.754 -3.334 7.186 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.750 -4.265 7.465 1.00 0.00 O ATOM 0 H ASP A 20 1.648 -4.410 2.815 1.00 0.00 H new ATOM 0 HA ASP A 20 3.072 -2.562 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.753 -2.985 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.986 -4.721 4.956 1.00 0.00 H new ATOM 330 N LYS A 21 5.030 -4.195 4.765 1.00 0.00 N ATOM 331 CA LYS A 21 6.131 -5.040 5.194 1.00 0.00 C ATOM 332 C LYS A 21 6.071 -5.218 6.712 1.00 0.00 C ATOM 333 O LYS A 21 5.976 -6.340 7.206 1.00 0.00 O ATOM 334 CB LYS A 21 7.464 -4.479 4.693 1.00 0.00 C ATOM 335 CG LYS A 21 8.435 -5.606 4.337 1.00 0.00 C ATOM 336 CD LYS A 21 9.059 -6.211 5.597 1.00 0.00 C ATOM 337 CE LYS A 21 10.022 -5.224 6.259 1.00 0.00 C ATOM 338 NZ LYS A 21 9.703 -5.074 7.697 1.00 0.00 N ATOM 0 H LYS A 21 5.311 -3.305 4.353 1.00 0.00 H new ATOM 0 HA LYS A 21 6.043 -6.033 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.293 -3.852 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.906 -3.842 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.909 -6.381 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.221 -5.222 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.273 -6.485 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.591 -7.127 5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.048 -5.574 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.957 -4.255 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.366 -4.401 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.731 -4.719 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.788 -5.997 8.169 1.00 0.00 H new ATOM 352 N ASP A 22 6.128 -4.093 7.411 1.00 0.00 N ATOM 353 CA ASP A 22 6.081 -4.111 8.863 1.00 0.00 C ATOM 354 C ASP A 22 4.908 -4.980 9.320 1.00 0.00 C ATOM 355 O ASP A 22 4.908 -5.490 10.440 1.00 0.00 O ATOM 356 CB ASP A 22 5.873 -2.703 9.424 1.00 0.00 C ATOM 357 CG ASP A 22 5.182 -1.723 8.474 1.00 0.00 C ATOM 358 OD1 ASP A 22 3.932 -1.711 8.482 1.00 0.00 O ATOM 359 OD2 ASP A 22 5.919 -1.009 7.760 1.00 0.00 O ATOM 0 H ASP A 22 6.206 -3.164 6.998 1.00 0.00 H new ATOM 0 HA ASP A 22 7.029 -4.508 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.284 -2.776 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.844 -2.292 9.702 1.00 0.00 H new ATOM 364 N GLY A 23 3.936 -5.123 8.431 1.00 0.00 N ATOM 365 CA GLY A 23 2.760 -5.921 8.729 1.00 0.00 C ATOM 366 C GLY A 23 2.016 -5.369 9.947 1.00 0.00 C ATOM 367 O GLY A 23 1.172 -6.051 10.525 1.00 0.00 O ATOM 0 H GLY A 23 3.939 -4.699 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.095 -5.931 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.055 -6.954 8.916 1.00 0.00 H new ATOM 371 N ASP A 24 2.357 -4.138 10.300 1.00 0.00 N ATOM 372 CA ASP A 24 1.732 -3.486 11.438 1.00 0.00 C ATOM 373 C ASP A 24 0.223 -3.400 11.206 1.00 0.00 C ATOM 374 O ASP A 24 -0.561 -3.489 12.150 1.00 0.00 O ATOM 375 CB ASP A 24 2.265 -2.064 11.619 1.00 0.00 C ATOM 376 CG ASP A 24 2.049 -1.135 10.422 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.709 -1.669 9.344 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.230 0.087 10.612 1.00 0.00 O ATOM 0 H ASP A 24 3.058 -3.575 9.818 1.00 0.00 H new ATOM 0 HA ASP A 24 1.959 -4.072 12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.788 -1.622 12.494 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.333 -2.117 11.831 1.00 0.00 H new ATOM 383 N GLY A 25 -0.140 -3.227 9.943 1.00 0.00 N ATOM 384 CA GLY A 25 -1.542 -3.127 9.575 1.00 0.00 C ATOM 385 C GLY A 25 -1.800 -1.876 8.732 1.00 0.00 C ATOM 386 O GLY A 25 -2.930 -1.625 8.317 1.00 0.00 O ATOM 0 H GLY A 25 0.512 -3.154 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.839 -4.014 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.157 -3.097 10.475 1.00 0.00 H new ATOM 390 N THR A 26 -0.733 -1.124 8.506 1.00 0.00 N ATOM 391 CA THR A 26 -0.830 0.095 7.721 1.00 0.00 C ATOM 392 C THR A 26 0.281 0.142 6.670 1.00 0.00 C ATOM 393 O THR A 26 1.386 -0.344 6.907 1.00 0.00 O ATOM 394 CB THR A 26 -0.804 1.282 8.685 1.00 0.00 C ATOM 395 OG1 THR A 26 0.396 1.097 9.431 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.912 1.206 9.738 1.00 0.00 C ATOM 0 H THR A 26 0.203 -1.335 8.853 1.00 0.00 H new ATOM 0 HA THR A 26 -1.765 0.132 7.162 1.00 0.00 H new ATOM 0 HB THR A 26 -0.902 2.210 8.121 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.493 1.824 10.081 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.848 2.072 10.396 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.884 1.197 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.794 0.295 10.325 1.00 0.00 H new ATOM 404 N ILE A 27 -0.050 0.731 5.530 1.00 0.00 N ATOM 405 CA ILE A 27 0.905 0.848 4.442 1.00 0.00 C ATOM 406 C ILE A 27 1.255 2.323 4.233 1.00 0.00 C ATOM 407 O ILE A 27 0.482 3.069 3.635 1.00 0.00 O ATOM 408 CB ILE A 27 0.373 0.158 3.185 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.139 -1.333 3.436 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.300 0.400 1.992 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.645 -1.966 2.285 1.00 0.00 C ATOM 0 H ILE A 27 -0.967 1.133 5.337 1.00 0.00 H new ATOM 0 HA ILE A 27 1.832 0.332 4.692 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.593 0.598 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.097 -1.841 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.407 -1.467 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.898 -0.102 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.372 1.470 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.291 0.004 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.798 -3.026 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.612 -1.472 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.085 -1.852 1.357 1.00 0.00 H new ATOM 423 N THR A 28 2.422 2.699 4.737 1.00 0.00 N ATOM 424 CA THR A 28 2.884 4.071 4.613 1.00 0.00 C ATOM 425 C THR A 28 3.362 4.345 3.185 1.00 0.00 C ATOM 426 O THR A 28 2.892 3.716 2.238 1.00 0.00 O ATOM 427 CB THR A 28 3.964 4.304 5.671 1.00 0.00 C ATOM 428 OG1 THR A 28 4.389 5.645 5.443 1.00 0.00 O ATOM 429 CG2 THR A 28 5.220 3.467 5.419 1.00 0.00 C ATOM 0 H THR A 28 3.061 2.077 5.232 1.00 0.00 H new ATOM 0 HA THR A 28 2.075 4.779 4.793 1.00 0.00 H new ATOM 0 HB THR A 28 3.563 4.069 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.368 5.684 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.955 3.670 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.960 2.408 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.641 3.726 4.447 1.00 0.00 H new ATOM 437 N THR A 29 4.290 5.284 3.077 1.00 0.00 N ATOM 438 CA THR A 29 4.837 5.650 1.781 1.00 0.00 C ATOM 439 C THR A 29 6.050 4.779 1.449 1.00 0.00 C ATOM 440 O THR A 29 6.134 4.214 0.360 1.00 0.00 O ATOM 441 CB THR A 29 5.152 7.147 1.806 1.00 0.00 C ATOM 442 OG1 THR A 29 5.913 7.321 2.998 1.00 0.00 O ATOM 443 CG2 THR A 29 3.905 8.004 2.031 1.00 0.00 C ATOM 0 H THR A 29 4.677 5.803 3.865 1.00 0.00 H new ATOM 0 HA THR A 29 4.118 5.468 0.983 1.00 0.00 H new ATOM 0 HB THR A 29 5.625 7.434 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.161 8.264 3.093 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.184 9.058 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.191 7.825 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.450 7.741 2.986 1.00 0.00 H new ATOM 451 N LYS A 30 6.960 4.697 2.409 1.00 0.00 N ATOM 452 CA LYS A 30 8.165 3.905 2.233 1.00 0.00 C ATOM 453 C LYS A 30 7.777 2.459 1.916 1.00 0.00 C ATOM 454 O LYS A 30 8.497 1.761 1.204 1.00 0.00 O ATOM 455 CB LYS A 30 9.080 4.043 3.450 1.00 0.00 C ATOM 456 CG LYS A 30 10.351 4.818 3.096 1.00 0.00 C ATOM 457 CD LYS A 30 11.487 3.866 2.717 1.00 0.00 C ATOM 458 CE LYS A 30 12.780 4.239 3.443 1.00 0.00 C ATOM 459 NZ LYS A 30 13.679 4.997 2.545 1.00 0.00 N ATOM 0 H LYS A 30 6.887 5.166 3.312 1.00 0.00 H new ATOM 0 HA LYS A 30 8.743 4.274 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.549 4.555 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.345 3.054 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.148 5.496 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.654 5.432 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.207 2.843 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.649 3.898 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.549 4.836 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.281 3.336 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.552 5.242 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.914 4.414 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.204 5.868 2.233 1.00 0.00 H new ATOM 473 N GLU A 31 6.639 2.052 2.460 1.00 0.00 N ATOM 474 CA GLU A 31 6.147 0.702 2.245 1.00 0.00 C ATOM 475 C GLU A 31 5.453 0.601 0.885 1.00 0.00 C ATOM 476 O GLU A 31 5.377 -0.480 0.302 1.00 0.00 O ATOM 477 CB GLU A 31 5.207 0.275 3.373 1.00 0.00 C ATOM 478 CG GLU A 31 5.950 0.203 4.709 1.00 0.00 C ATOM 479 CD GLU A 31 6.086 -1.245 5.184 1.00 0.00 C ATOM 480 OE1 GLU A 31 5.063 -1.785 5.658 1.00 0.00 O ATOM 481 OE2 GLU A 31 7.209 -1.779 5.062 1.00 0.00 O ATOM 0 H GLU A 31 6.044 2.634 3.049 1.00 0.00 H new ATOM 0 HA GLU A 31 6.998 0.021 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.381 0.982 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.773 -0.698 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.939 0.649 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.415 0.787 5.458 1.00 0.00 H new ATOM 488 N LEU A 32 4.965 1.741 0.419 1.00 0.00 N ATOM 489 CA LEU A 32 4.280 1.794 -0.861 1.00 0.00 C ATOM 490 C LEU A 32 5.315 1.854 -1.986 1.00 0.00 C ATOM 491 O LEU A 32 5.007 1.539 -3.135 1.00 0.00 O ATOM 492 CB LEU A 32 3.278 2.950 -0.885 1.00 0.00 C ATOM 493 CG LEU A 32 1.994 2.709 -1.682 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.980 1.911 -0.860 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.409 4.028 -2.191 1.00 0.00 C ATOM 0 H LEU A 32 5.030 2.635 0.905 1.00 0.00 H new ATOM 0 HA LEU A 32 3.692 0.890 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.005 3.189 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.777 3.828 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 32 2.243 2.108 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.077 1.754 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.409 0.946 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.730 2.464 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.497 3.828 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.178 4.675 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.134 4.522 -2.838 1.00 0.00 H new ATOM 507 N GLY A 33 6.521 2.260 -1.617 1.00 0.00 N ATOM 508 CA GLY A 33 7.603 2.365 -2.581 1.00 0.00 C ATOM 509 C GLY A 33 8.587 1.203 -2.429 1.00 0.00 C ATOM 510 O GLY A 33 9.746 1.312 -2.825 1.00 0.00 O ATOM 0 H GLY A 33 6.773 2.520 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.195 2.371 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.127 3.311 -2.443 1.00 0.00 H new ATOM 514 N THR A 34 8.088 0.118 -1.856 1.00 0.00 N ATOM 515 CA THR A 34 8.908 -1.063 -1.647 1.00 0.00 C ATOM 516 C THR A 34 8.436 -2.205 -2.549 1.00 0.00 C ATOM 517 O THR A 34 9.236 -3.042 -2.967 1.00 0.00 O ATOM 518 CB THR A 34 8.869 -1.408 -0.157 1.00 0.00 C ATOM 519 OG1 THR A 34 10.132 -0.966 0.334 1.00 0.00 O ATOM 520 CG2 THR A 34 8.880 -2.917 0.094 1.00 0.00 C ATOM 0 H THR A 34 7.125 0.032 -1.530 1.00 0.00 H new ATOM 0 HA THR A 34 9.946 -0.879 -1.925 1.00 0.00 H new ATOM 0 HB THR A 34 7.978 -0.971 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.192 -1.149 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.851 -3.108 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.009 -3.371 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.788 -3.349 -0.327 1.00 0.00 H new ATOM 528 N VAL A 35 7.140 -2.205 -2.821 1.00 0.00 N ATOM 529 CA VAL A 35 6.552 -3.231 -3.665 1.00 0.00 C ATOM 530 C VAL A 35 6.749 -2.852 -5.134 1.00 0.00 C ATOM 531 O VAL A 35 6.776 -3.720 -6.005 1.00 0.00 O ATOM 532 CB VAL A 35 5.083 -3.437 -3.292 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.272 -3.912 -4.500 1.00 0.00 C ATOM 534 CG2 VAL A 35 4.945 -4.413 -2.122 1.00 0.00 C ATOM 0 H VAL A 35 6.480 -1.510 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 35 7.050 -4.187 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 35 4.681 -2.475 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.231 -4.051 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.330 -3.166 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.677 -4.858 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.891 -4.541 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.373 -5.376 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.473 -4.018 -1.254 1.00 0.00 H new ATOM 544 N MET A 36 6.880 -1.554 -5.365 1.00 0.00 N ATOM 545 CA MET A 36 7.073 -1.049 -6.713 1.00 0.00 C ATOM 546 C MET A 36 8.478 -1.375 -7.225 1.00 0.00 C ATOM 547 O MET A 36 8.645 -1.780 -8.374 1.00 0.00 O ATOM 548 CB MET A 36 6.864 0.467 -6.726 1.00 0.00 C ATOM 549 CG MET A 36 5.484 0.834 -6.178 1.00 0.00 C ATOM 550 SD MET A 36 4.615 1.861 -7.351 1.00 0.00 S ATOM 551 CE MET A 36 2.960 1.219 -7.159 1.00 0.00 C ATOM 0 H MET A 36 6.856 -0.837 -4.640 1.00 0.00 H new ATOM 0 HA MET A 36 6.347 -1.530 -7.368 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.637 0.950 -6.128 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.967 0.843 -7.744 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.910 -0.071 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.589 1.360 -5.229 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.283 1.754 -7.825 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.950 0.158 -7.407 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.635 1.353 -6.127 1.00 0.00 H new ATOM 561 N ARG A 37 9.452 -1.186 -6.346 1.00 0.00 N ATOM 562 CA ARG A 37 10.837 -1.454 -6.695 1.00 0.00 C ATOM 563 C ARG A 37 11.002 -2.913 -7.125 1.00 0.00 C ATOM 564 O ARG A 37 12.000 -3.271 -7.750 1.00 0.00 O ATOM 565 CB ARG A 37 11.767 -1.170 -5.514 1.00 0.00 C ATOM 566 CG ARG A 37 11.276 -1.874 -4.247 1.00 0.00 C ATOM 567 CD ARG A 37 12.333 -1.813 -3.142 1.00 0.00 C ATOM 568 NE ARG A 37 12.164 -0.576 -2.347 1.00 0.00 N ATOM 569 CZ ARG A 37 12.811 -0.326 -1.201 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.673 -1.225 -0.708 1.00 0.00 N ATOM 571 NH2 ARG A 37 12.595 0.824 -0.547 1.00 0.00 N ATOM 0 H ARG A 37 9.309 -0.851 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 37 11.105 -0.795 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.776 -1.505 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.821 -0.095 -5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.355 -1.406 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.040 -2.914 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.245 -2.686 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.331 -1.840 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 37 11.514 0.130 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.837 -2.100 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.165 -1.034 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.938 1.508 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.087 1.015 0.326 1.00 0.00 H new ATOM 585 N SER A 38 10.009 -3.717 -6.774 1.00 0.00 N ATOM 586 CA SER A 38 10.032 -5.129 -7.116 1.00 0.00 C ATOM 587 C SER A 38 9.316 -5.356 -8.449 1.00 0.00 C ATOM 588 O SER A 38 9.121 -6.496 -8.867 1.00 0.00 O ATOM 589 CB SER A 38 9.385 -5.973 -6.016 1.00 0.00 C ATOM 590 OG SER A 38 9.862 -5.618 -4.721 1.00 0.00 O ATOM 0 H SER A 38 9.183 -3.417 -6.256 1.00 0.00 H new ATOM 0 HA SER A 38 11.072 -5.441 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.303 -5.847 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.589 -7.028 -6.201 1.00 0.00 H new ATOM 0 HG SER A 38 9.481 -4.754 -4.457 1.00 0.00 H new ATOM 596 N LEU A 39 8.944 -4.252 -9.080 1.00 0.00 N ATOM 597 CA LEU A 39 8.254 -4.316 -10.357 1.00 0.00 C ATOM 598 C LEU A 39 9.021 -3.487 -11.389 1.00 0.00 C ATOM 599 O LEU A 39 8.596 -3.369 -12.537 1.00 0.00 O ATOM 600 CB LEU A 39 6.791 -3.898 -10.198 1.00 0.00 C ATOM 601 CG LEU A 39 5.755 -4.827 -10.834 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.926 -5.540 -9.763 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.874 -4.067 -11.828 1.00 0.00 C ATOM 0 H LEU A 39 9.107 -3.308 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 39 8.230 -5.342 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.571 -3.816 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.669 -2.903 -10.627 1.00 0.00 H new ATOM 0 HG LEU A 39 6.286 -5.596 -11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.197 -6.194 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.584 -6.134 -9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.405 -4.801 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.146 -4.750 -12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.351 -3.263 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.496 -3.645 -12.617 1.00 0.00 H new ATOM 615 N GLY A 40 10.139 -2.933 -10.943 1.00 0.00 N ATOM 616 CA GLY A 40 10.970 -2.118 -11.813 1.00 0.00 C ATOM 617 C GLY A 40 10.535 -0.652 -11.771 1.00 0.00 C ATOM 618 O GLY A 40 10.718 0.082 -12.741 1.00 0.00 O ATOM 0 H GLY A 40 10.489 -3.033 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.013 -2.200 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.907 -2.491 -12.835 1.00 0.00 H new ATOM 622 N GLN A 41 9.967 -0.269 -10.637 1.00 0.00 N ATOM 623 CA GLN A 41 9.505 1.096 -10.455 1.00 0.00 C ATOM 624 C GLN A 41 10.197 1.736 -9.250 1.00 0.00 C ATOM 625 O GLN A 41 11.032 1.105 -8.602 1.00 0.00 O ATOM 626 CB GLN A 41 7.983 1.144 -10.302 1.00 0.00 C ATOM 627 CG GLN A 41 7.303 1.363 -11.655 1.00 0.00 C ATOM 628 CD GLN A 41 6.095 2.293 -11.517 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.926 3.247 -12.259 1.00 0.00 O ATOM 630 NE2 GLN A 41 5.268 1.963 -10.529 1.00 0.00 N ATOM 0 H GLN A 41 9.816 -0.881 -9.835 1.00 0.00 H new ATOM 0 HA GLN A 41 9.767 1.668 -11.345 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.629 0.213 -9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.708 1.947 -9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.017 1.790 -12.360 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.984 0.405 -12.065 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.469 1.151 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.432 2.522 -10.355 1.00 0.00 H new ATOM 639 N ASN A 42 9.826 2.980 -8.985 1.00 0.00 N ATOM 640 CA ASN A 42 10.401 3.711 -7.869 1.00 0.00 C ATOM 641 C ASN A 42 9.866 5.145 -7.875 1.00 0.00 C ATOM 642 O ASN A 42 10.594 6.082 -8.197 1.00 0.00 O ATOM 643 CB ASN A 42 11.925 3.775 -7.980 1.00 0.00 C ATOM 644 CG ASN A 42 12.572 3.880 -6.597 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.269 3.130 -5.684 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.476 4.850 -6.495 1.00 0.00 N ATOM 0 H ASN A 42 9.134 3.500 -9.524 1.00 0.00 H new ATOM 0 HA ASN A 42 10.128 3.193 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.294 2.886 -8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.213 4.634 -8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.964 5.002 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.682 5.442 -7.300 1.00 0.00 H new ATOM 653 N PRO A 43 8.563 5.273 -7.505 1.00 0.00 N ATOM 654 CA PRO A 43 7.922 6.576 -7.465 1.00 0.00 C ATOM 655 C PRO A 43 8.383 7.377 -6.245 1.00 0.00 C ATOM 656 O PRO A 43 8.510 6.829 -5.151 1.00 0.00 O ATOM 657 CB PRO A 43 6.431 6.281 -7.452 1.00 0.00 C ATOM 658 CG PRO A 43 6.297 4.831 -7.018 1.00 0.00 C ATOM 659 CD PRO A 43 7.670 4.186 -7.118 1.00 0.00 C ATOM 0 HA PRO A 43 8.184 7.200 -8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.908 6.945 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.994 6.435 -8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.921 4.771 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.582 4.307 -7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.971 3.746 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.678 3.385 -7.857 1.00 0.00 H new ATOM 667 N THR A 44 8.621 8.660 -6.474 1.00 0.00 N ATOM 668 CA THR A 44 9.066 9.541 -5.408 1.00 0.00 C ATOM 669 C THR A 44 8.023 9.593 -4.289 1.00 0.00 C ATOM 670 O THR A 44 6.845 9.323 -4.521 1.00 0.00 O ATOM 671 CB THR A 44 9.368 10.910 -6.020 1.00 0.00 C ATOM 672 OG1 THR A 44 8.121 11.328 -6.569 1.00 0.00 O ATOM 673 CG2 THR A 44 10.296 10.816 -7.233 1.00 0.00 C ATOM 0 H THR A 44 8.514 9.111 -7.383 1.00 0.00 H new ATOM 0 HA THR A 44 9.979 9.169 -4.943 1.00 0.00 H new ATOM 0 HB THR A 44 9.820 11.553 -5.265 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.226 12.209 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.479 11.815 -7.630 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.242 10.366 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.829 10.200 -8.002 1.00 0.00 H new ATOM 681 N GLU A 45 8.493 9.941 -3.101 1.00 0.00 N ATOM 682 CA GLU A 45 7.616 10.031 -1.946 1.00 0.00 C ATOM 683 C GLU A 45 6.418 10.930 -2.259 1.00 0.00 C ATOM 684 O GLU A 45 5.342 10.756 -1.689 1.00 0.00 O ATOM 685 CB GLU A 45 8.376 10.537 -0.718 1.00 0.00 C ATOM 686 CG GLU A 45 8.293 9.531 0.431 1.00 0.00 C ATOM 687 CD GLU A 45 9.113 10.004 1.634 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.343 9.784 1.603 1.00 0.00 O ATOM 689 OE2 GLU A 45 8.491 10.573 2.556 1.00 0.00 O ATOM 0 H GLU A 45 9.470 10.164 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 45 7.246 9.032 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.420 10.712 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.963 11.494 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.252 9.396 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.658 8.560 0.096 1.00 0.00 H new ATOM 696 N ALA A 46 6.646 11.872 -3.162 1.00 0.00 N ATOM 697 CA ALA A 46 5.599 12.799 -3.557 1.00 0.00 C ATOM 698 C ALA A 46 4.501 12.035 -4.299 1.00 0.00 C ATOM 699 O ALA A 46 3.315 12.242 -4.045 1.00 0.00 O ATOM 700 CB ALA A 46 6.203 13.921 -4.404 1.00 0.00 C ATOM 0 H ALA A 46 7.540 12.013 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 46 5.145 13.261 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.418 14.616 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.956 14.451 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.666 13.496 -5.294 1.00 0.00 H new ATOM 706 N GLU A 47 4.934 11.167 -5.202 1.00 0.00 N ATOM 707 CA GLU A 47 4.003 10.372 -5.983 1.00 0.00 C ATOM 708 C GLU A 47 3.122 9.528 -5.060 1.00 0.00 C ATOM 709 O GLU A 47 1.902 9.687 -5.043 1.00 0.00 O ATOM 710 CB GLU A 47 4.745 9.489 -6.989 1.00 0.00 C ATOM 711 CG GLU A 47 3.772 8.582 -7.744 1.00 0.00 C ATOM 712 CD GLU A 47 4.266 8.312 -9.167 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.978 9.192 -9.697 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.920 7.232 -9.693 1.00 0.00 O ATOM 0 H GLU A 47 5.918 10.997 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 47 3.362 11.049 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.288 10.115 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.485 8.881 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.659 7.639 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.787 9.048 -7.779 1.00 0.00 H new ATOM 721 N LEU A 48 3.774 8.649 -4.313 1.00 0.00 N ATOM 722 CA LEU A 48 3.065 7.780 -3.389 1.00 0.00 C ATOM 723 C LEU A 48 2.034 8.601 -2.612 1.00 0.00 C ATOM 724 O LEU A 48 0.838 8.317 -2.669 1.00 0.00 O ATOM 725 CB LEU A 48 4.053 7.028 -2.495 1.00 0.00 C ATOM 726 CG LEU A 48 5.077 6.151 -3.216 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.367 6.032 -2.403 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.485 4.781 -3.554 1.00 0.00 C ATOM 0 H LEU A 48 4.786 8.520 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 48 2.516 7.012 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.591 7.757 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.485 6.400 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 48 5.334 6.633 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.078 5.403 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.797 7.023 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.146 5.585 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.234 4.177 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.181 4.279 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.618 4.909 -4.202 1.00 0.00 H new ATOM 740 N GLN A 49 2.535 9.603 -1.905 1.00 0.00 N ATOM 741 CA GLN A 49 1.672 10.468 -1.117 1.00 0.00 C ATOM 742 C GLN A 49 0.397 10.797 -1.896 1.00 0.00 C ATOM 743 O GLN A 49 -0.697 10.790 -1.334 1.00 0.00 O ATOM 744 CB GLN A 49 2.406 11.745 -0.703 1.00 0.00 C ATOM 745 CG GLN A 49 2.002 12.177 0.708 1.00 0.00 C ATOM 746 CD GLN A 49 2.876 11.493 1.761 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.094 11.490 1.689 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.188 10.914 2.742 1.00 0.00 N ATOM 0 H GLN A 49 3.527 9.836 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 49 1.392 9.938 -0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.483 11.579 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.181 12.543 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.093 13.259 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.955 11.929 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.169 10.954 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.680 10.431 3.494 1.00 0.00 H new ATOM 757 N ASP A 50 0.580 11.077 -3.178 1.00 0.00 N ATOM 758 CA ASP A 50 -0.543 11.408 -4.040 1.00 0.00 C ATOM 759 C ASP A 50 -1.418 10.167 -4.229 1.00 0.00 C ATOM 760 O ASP A 50 -2.644 10.261 -4.221 1.00 0.00 O ATOM 761 CB ASP A 50 -0.063 11.862 -5.419 1.00 0.00 C ATOM 762 CG ASP A 50 -0.347 13.328 -5.752 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.507 14.167 -5.393 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.411 13.576 -6.359 1.00 0.00 O ATOM 0 H ASP A 50 1.489 11.082 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.103 12.216 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.011 11.691 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.535 11.235 -6.176 1.00 0.00 H new ATOM 769 N MET A 51 -0.753 9.033 -4.394 1.00 0.00 N ATOM 770 CA MET A 51 -1.455 7.775 -4.585 1.00 0.00 C ATOM 771 C MET A 51 -2.210 7.371 -3.317 1.00 0.00 C ATOM 772 O MET A 51 -3.427 7.197 -3.343 1.00 0.00 O ATOM 773 CB MET A 51 -0.451 6.680 -4.952 1.00 0.00 C ATOM 774 CG MET A 51 0.392 7.093 -6.161 1.00 0.00 C ATOM 775 SD MET A 51 1.836 6.052 -6.282 1.00 0.00 S ATOM 776 CE MET A 51 1.412 5.100 -7.731 1.00 0.00 C ATOM 0 H MET A 51 0.264 8.959 -4.399 1.00 0.00 H new ATOM 0 HA MET A 51 -2.178 7.902 -5.391 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.200 6.479 -4.101 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.982 5.754 -5.173 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.201 7.014 -7.072 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.693 8.136 -6.066 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.213 4.394 -7.950 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.486 4.554 -7.549 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.277 5.770 -8.580 1.00 0.00 H new ATOM 786 N ILE A 52 -1.455 7.232 -2.236 1.00 0.00 N ATOM 787 CA ILE A 52 -2.038 6.852 -0.960 1.00 0.00 C ATOM 788 C ILE A 52 -3.332 7.637 -0.741 1.00 0.00 C ATOM 789 O ILE A 52 -4.356 7.063 -0.373 1.00 0.00 O ATOM 790 CB ILE A 52 -1.017 7.021 0.166 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.054 5.930 0.105 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.709 7.070 1.530 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.848 5.867 1.412 1.00 0.00 C ATOM 0 H ILE A 52 -0.445 7.376 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.304 5.795 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.510 7.976 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.415 4.965 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.731 6.126 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.961 7.191 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.401 7.911 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.258 6.143 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.602 5.083 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.336 6.826 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.172 5.647 2.238 1.00 0.00 H new ATOM 805 N ASN A 53 -3.244 8.938 -0.975 1.00 0.00 N ATOM 806 CA ASN A 53 -4.396 9.808 -0.808 1.00 0.00 C ATOM 807 C ASN A 53 -5.589 9.219 -1.564 1.00 0.00 C ATOM 808 O ASN A 53 -6.711 9.225 -1.060 1.00 0.00 O ATOM 809 CB ASN A 53 -4.120 11.203 -1.374 1.00 0.00 C ATOM 810 CG ASN A 53 -3.784 12.191 -0.256 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.319 12.135 0.839 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.870 13.097 -0.591 1.00 0.00 N ATOM 0 H ASN A 53 -2.393 9.411 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.607 9.887 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.293 11.155 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.992 11.555 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.577 13.801 0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.461 13.088 -1.526 1.00 0.00 H new ATOM 819 N GLU A 54 -5.305 8.725 -2.760 1.00 0.00 N ATOM 820 CA GLU A 54 -6.341 8.133 -3.589 1.00 0.00 C ATOM 821 C GLU A 54 -7.014 6.973 -2.852 1.00 0.00 C ATOM 822 O GLU A 54 -8.197 6.705 -3.059 1.00 0.00 O ATOM 823 CB GLU A 54 -5.771 7.672 -4.932 1.00 0.00 C ATOM 824 CG GLU A 54 -4.986 8.797 -5.610 1.00 0.00 C ATOM 825 CD GLU A 54 -4.987 8.627 -7.131 1.00 0.00 C ATOM 826 OE1 GLU A 54 -5.987 9.052 -7.749 1.00 0.00 O ATOM 827 OE2 GLU A 54 -3.988 8.075 -7.641 1.00 0.00 O ATOM 0 H GLU A 54 -4.373 8.723 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.095 8.894 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.120 6.811 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.582 7.346 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.424 9.760 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.960 8.803 -5.242 1.00 0.00 H new ATOM 834 N VAL A 55 -6.232 6.317 -2.008 1.00 0.00 N ATOM 835 CA VAL A 55 -6.737 5.193 -1.239 1.00 0.00 C ATOM 836 C VAL A 55 -6.715 5.547 0.249 1.00 0.00 C ATOM 837 O VAL A 55 -6.511 4.677 1.095 1.00 0.00 O ATOM 838 CB VAL A 55 -5.934 3.932 -1.566 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.667 3.066 -2.593 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.528 4.289 -2.052 1.00 0.00 C ATOM 0 H VAL A 55 -5.252 6.543 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.772 4.981 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.834 3.351 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.075 2.176 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.636 2.769 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.813 3.635 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.978 3.375 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.598 4.902 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.004 4.845 -1.274 1.00 0.00 H new ATOM 850 N ASP A 56 -6.928 6.825 0.524 1.00 0.00 N ATOM 851 CA ASP A 56 -6.935 7.305 1.895 1.00 0.00 C ATOM 852 C ASP A 56 -7.792 8.569 1.985 1.00 0.00 C ATOM 853 O ASP A 56 -7.365 9.644 1.564 1.00 0.00 O ATOM 854 CB ASP A 56 -5.521 7.658 2.362 1.00 0.00 C ATOM 855 CG ASP A 56 -5.452 8.684 3.496 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.591 8.252 4.661 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.261 9.876 3.172 1.00 0.00 O ATOM 0 H ASP A 56 -7.097 7.543 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.337 6.513 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.023 6.745 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.958 8.041 1.511 1.00 0.00 H new ATOM 862 N ALA A 57 -8.985 8.399 2.535 1.00 0.00 N ATOM 863 CA ALA A 57 -9.905 9.513 2.685 1.00 0.00 C ATOM 864 C ALA A 57 -9.779 10.088 4.098 1.00 0.00 C ATOM 865 O ALA A 57 -10.259 11.187 4.370 1.00 0.00 O ATOM 866 CB ALA A 57 -11.328 9.046 2.371 1.00 0.00 C ATOM 0 H ALA A 57 -9.336 7.506 2.882 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.660 10.309 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.018 9.882 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.371 8.675 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.609 8.248 3.058 1.00 0.00 H new ATOM 872 N ASP A 58 -9.129 9.318 4.959 1.00 0.00 N ATOM 873 CA ASP A 58 -8.933 9.737 6.336 1.00 0.00 C ATOM 874 C ASP A 58 -7.882 10.847 6.383 1.00 0.00 C ATOM 875 O ASP A 58 -8.059 11.845 7.080 1.00 0.00 O ATOM 876 CB ASP A 58 -8.434 8.576 7.199 1.00 0.00 C ATOM 877 CG ASP A 58 -7.007 8.733 7.730 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.850 9.472 8.725 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.106 8.109 7.128 1.00 0.00 O ATOM 0 H ASP A 58 -8.732 8.407 4.729 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.891 10.087 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.110 8.456 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.489 7.658 6.614 1.00 0.00 H new ATOM 884 N GLY A 59 -6.811 10.637 5.632 1.00 0.00 N ATOM 885 CA GLY A 59 -5.732 11.607 5.578 1.00 0.00 C ATOM 886 C GLY A 59 -4.704 11.346 6.681 1.00 0.00 C ATOM 887 O GLY A 59 -4.063 12.275 7.170 1.00 0.00 O ATOM 0 H GLY A 59 -6.668 9.808 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.245 11.561 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.137 12.613 5.684 1.00 0.00 H new ATOM 891 N ASN A 60 -4.579 10.077 7.041 1.00 0.00 N ATOM 892 CA ASN A 60 -3.641 9.681 8.077 1.00 0.00 C ATOM 893 C ASN A 60 -2.238 9.577 7.475 1.00 0.00 C ATOM 894 O ASN A 60 -1.245 9.581 8.201 1.00 0.00 O ATOM 895 CB ASN A 60 -4.008 8.315 8.660 1.00 0.00 C ATOM 896 CG ASN A 60 -3.799 7.204 7.629 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.594 7.446 6.450 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.862 5.976 8.136 1.00 0.00 N ATOM 0 H ASN A 60 -5.112 9.309 6.633 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.675 10.431 8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.399 8.117 9.542 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.048 8.322 8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.735 5.166 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.037 5.844 9.132 1.00 0.00 H new ATOM 905 N GLY A 61 -2.201 9.485 6.154 1.00 0.00 N ATOM 906 CA GLY A 61 -0.936 9.380 5.446 1.00 0.00 C ATOM 907 C GLY A 61 -0.616 7.922 5.109 1.00 0.00 C ATOM 908 O GLY A 61 0.031 7.642 4.101 1.00 0.00 O ATOM 0 H GLY A 61 -3.027 9.481 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.978 9.968 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.137 9.800 6.057 1.00 0.00 H new ATOM 912 N THR A 62 -1.084 7.032 5.972 1.00 0.00 N ATOM 913 CA THR A 62 -0.856 5.610 5.778 1.00 0.00 C ATOM 914 C THR A 62 -2.081 4.956 5.137 1.00 0.00 C ATOM 915 O THR A 62 -3.149 5.563 5.069 1.00 0.00 O ATOM 916 CB THR A 62 -0.481 5.003 7.131 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.330 5.673 8.060 1.00 0.00 O ATOM 918 CG2 THR A 62 0.932 5.387 7.574 1.00 0.00 C ATOM 0 H THR A 62 -1.620 7.268 6.807 1.00 0.00 H new ATOM 0 HA THR A 62 -0.033 5.432 5.086 1.00 0.00 H new ATOM 0 HB THR A 62 -0.562 3.917 7.076 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.154 5.338 8.964 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.147 4.930 8.540 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.653 5.034 6.837 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.004 6.471 7.661 1.00 0.00 H new ATOM 926 N ILE A 63 -1.887 3.726 4.684 1.00 0.00 N ATOM 927 CA ILE A 63 -2.963 2.983 4.051 1.00 0.00 C ATOM 928 C ILE A 63 -3.294 1.752 4.897 1.00 0.00 C ATOM 929 O ILE A 63 -2.399 1.003 5.286 1.00 0.00 O ATOM 930 CB ILE A 63 -2.605 2.653 2.600 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.486 3.928 1.762 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.606 1.664 2.000 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.685 4.082 0.824 1.00 0.00 C ATOM 0 H ILE A 63 -1.000 3.225 4.743 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.867 3.590 4.003 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.629 2.168 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.421 4.795 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.565 3.900 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.329 1.446 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.598 0.741 2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.605 2.099 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.575 4.996 0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.733 3.225 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.602 4.134 1.411 1.00 0.00 H new ATOM 945 N ASP A 64 -4.581 1.582 5.158 1.00 0.00 N ATOM 946 CA ASP A 64 -5.041 0.455 5.952 1.00 0.00 C ATOM 947 C ASP A 64 -5.623 -0.613 5.024 1.00 0.00 C ATOM 948 O ASP A 64 -5.556 -0.483 3.802 1.00 0.00 O ATOM 949 CB ASP A 64 -6.139 0.881 6.929 1.00 0.00 C ATOM 950 CG ASP A 64 -5.747 2.001 7.894 1.00 0.00 C ATOM 951 OD1 ASP A 64 -5.645 3.152 7.416 1.00 0.00 O ATOM 952 OD2 ASP A 64 -5.559 1.682 9.088 1.00 0.00 O ATOM 0 H ASP A 64 -5.320 2.206 4.834 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.190 0.068 6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.009 1.203 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.444 0.011 7.511 1.00 0.00 H new ATOM 957 N PHE A 65 -6.180 -1.646 5.639 1.00 0.00 N ATOM 958 CA PHE A 65 -6.772 -2.737 4.883 1.00 0.00 C ATOM 959 C PHE A 65 -8.036 -2.275 4.154 1.00 0.00 C ATOM 960 O PHE A 65 -8.227 -2.585 2.979 1.00 0.00 O ATOM 961 CB PHE A 65 -7.147 -3.827 5.889 1.00 0.00 C ATOM 962 CG PHE A 65 -7.518 -5.165 5.247 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.803 -5.633 4.189 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.563 -5.886 5.734 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.147 -6.876 3.594 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.908 -7.128 5.139 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.192 -7.597 4.081 1.00 0.00 C ATOM 0 H PHE A 65 -6.234 -1.751 6.652 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.065 -3.099 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.310 -3.982 6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.987 -3.479 6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.974 -5.060 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.131 -5.514 6.574 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.579 -7.249 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.738 -7.700 5.526 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.454 -8.542 3.628 1.00 0.00 H new ATOM 977 N PRO A 66 -8.888 -1.523 4.901 1.00 0.00 N ATOM 978 CA PRO A 66 -10.128 -1.016 4.338 1.00 0.00 C ATOM 979 C PRO A 66 -9.862 0.159 3.395 1.00 0.00 C ATOM 980 O PRO A 66 -10.765 0.613 2.694 1.00 0.00 O ATOM 981 CB PRO A 66 -10.977 -0.633 5.539 1.00 0.00 C ATOM 982 CG PRO A 66 -10.013 -0.504 6.707 1.00 0.00 C ATOM 983 CD PRO A 66 -8.694 -1.137 6.295 1.00 0.00 C ATOM 0 HA PRO A 66 -10.643 -1.753 3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.504 0.305 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.734 -1.391 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.868 0.544 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.415 -1.000 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.868 -0.434 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.458 -2.001 6.916 1.00 0.00 H new ATOM 991 N GLU A 67 -8.619 0.618 3.409 1.00 0.00 N ATOM 992 CA GLU A 67 -8.223 1.731 2.564 1.00 0.00 C ATOM 993 C GLU A 67 -7.503 1.220 1.314 1.00 0.00 C ATOM 994 O GLU A 67 -7.529 1.868 0.269 1.00 0.00 O ATOM 995 CB GLU A 67 -7.347 2.721 3.335 1.00 0.00 C ATOM 996 CG GLU A 67 -7.827 2.868 4.780 1.00 0.00 C ATOM 997 CD GLU A 67 -8.774 4.060 4.924 1.00 0.00 C ATOM 998 OE1 GLU A 67 -9.837 4.024 4.266 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.415 4.981 5.689 1.00 0.00 O ATOM 0 H GLU A 67 -7.873 0.239 3.992 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.123 2.260 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.312 2.380 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.368 3.692 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.335 1.956 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.970 2.998 5.440 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.878 0.061 1.463 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.152 -0.545 0.360 1.00 0.00 C ATOM 1008 C PHE A 68 -7.042 -1.524 -0.409 1.00 0.00 C ATOM 1009 O PHE A 68 -6.881 -1.698 -1.616 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.975 -1.312 0.966 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.581 -2.567 0.185 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.308 -3.708 0.320 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.504 -2.540 -0.646 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.942 -4.873 -0.405 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.138 -3.705 -1.371 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.865 -4.847 -1.235 1.00 0.00 C ATOM 0 H PHE A 68 -6.860 -0.474 2.331 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.820 0.226 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.113 -0.647 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.228 -1.597 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.164 -3.728 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.928 -1.633 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.519 -5.780 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.283 -3.684 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.587 -5.733 -1.786 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.961 -2.139 0.322 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.875 -3.096 -0.276 1.00 0.00 C ATOM 1028 C LEU A 69 -9.442 -2.512 -1.572 1.00 0.00 C ATOM 1029 O LEU A 69 -9.742 -3.250 -2.510 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.949 -3.512 0.731 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.594 -4.690 1.641 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.553 -4.773 2.830 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.549 -5.999 0.850 1.00 0.00 C ATOM 0 H LEU A 69 -8.092 -1.993 1.323 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.347 -4.012 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.184 -2.652 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.856 -3.763 0.182 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.595 -4.521 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.278 -5.619 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.493 -3.853 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.572 -4.907 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.295 -6.820 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.524 -6.186 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.796 -5.924 0.065 1.00 0.00 H new ATOM 1045 N THR A 70 -9.570 -1.194 -1.584 1.00 0.00 N ATOM 1046 CA THR A 70 -10.095 -0.503 -2.749 1.00 0.00 C ATOM 1047 C THR A 70 -9.095 -0.571 -3.905 1.00 0.00 C ATOM 1048 O THR A 70 -9.487 -0.706 -5.063 1.00 0.00 O ATOM 1049 CB THR A 70 -10.446 0.927 -2.333 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.525 1.638 -3.566 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.305 1.614 -1.579 1.00 0.00 C ATOM 0 H THR A 70 -9.319 -0.586 -0.805 1.00 0.00 H new ATOM 0 HA THR A 70 -11.003 -0.982 -3.117 1.00 0.00 H new ATOM 0 HB THR A 70 -11.339 0.914 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.750 2.575 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.606 2.626 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.074 1.049 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.422 1.657 -2.216 1.00 0.00 H new ATOM 1059 N MET A 71 -7.822 -0.475 -3.550 1.00 0.00 N ATOM 1060 CA MET A 71 -6.763 -0.524 -4.543 1.00 0.00 C ATOM 1061 C MET A 71 -6.869 -1.790 -5.396 1.00 0.00 C ATOM 1062 O MET A 71 -7.011 -1.712 -6.615 1.00 0.00 O ATOM 1063 CB MET A 71 -5.403 -0.493 -3.842 1.00 0.00 C ATOM 1064 CG MET A 71 -4.555 0.678 -4.341 1.00 0.00 C ATOM 1065 SD MET A 71 -3.036 0.071 -5.056 1.00 0.00 S ATOM 1066 CE MET A 71 -2.742 1.337 -6.280 1.00 0.00 C ATOM 0 H MET A 71 -7.500 -0.364 -2.588 1.00 0.00 H new ATOM 0 HA MET A 71 -6.864 0.342 -5.197 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.547 -0.409 -2.765 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.876 -1.430 -4.021 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.112 1.251 -5.082 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.333 1.355 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.824 1.112 -6.823 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.578 1.369 -6.978 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.644 2.304 -5.787 1.00 0.00 H new ATOM 1076 N MET A 72 -6.795 -2.928 -4.721 1.00 0.00 N ATOM 1077 CA MET A 72 -6.881 -4.209 -5.401 1.00 0.00 C ATOM 1078 C MET A 72 -8.127 -4.277 -6.286 1.00 0.00 C ATOM 1079 O MET A 72 -8.078 -4.811 -7.393 1.00 0.00 O ATOM 1080 CB MET A 72 -6.927 -5.335 -4.366 1.00 0.00 C ATOM 1081 CG MET A 72 -5.608 -5.426 -3.597 1.00 0.00 C ATOM 1082 SD MET A 72 -4.781 -6.960 -3.984 1.00 0.00 S ATOM 1083 CE MET A 72 -3.324 -6.329 -4.799 1.00 0.00 C ATOM 0 H MET A 72 -6.676 -2.989 -3.710 1.00 0.00 H new ATOM 0 HA MET A 72 -6.002 -4.323 -6.035 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.747 -5.160 -3.669 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.128 -6.284 -4.864 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.968 -4.583 -3.856 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.797 -5.366 -2.525 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.691 -7.161 -5.109 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.619 -5.751 -5.675 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.771 -5.689 -4.112 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.215 -3.729 -5.764 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.472 -3.721 -6.493 1.00 0.00 C ATOM 1095 C ALA A 73 -10.294 -2.944 -7.800 1.00 0.00 C ATOM 1096 O ALA A 73 -10.560 -3.470 -8.879 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.571 -3.129 -5.609 1.00 0.00 C ATOM 0 H ALA A 73 -9.252 -3.288 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.772 -4.737 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.514 -3.123 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.678 -3.733 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.305 -2.109 -5.333 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.845 -1.706 -7.658 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.629 -0.852 -8.814 1.00 0.00 C ATOM 1105 C ARG A 74 -8.152 -0.467 -8.920 1.00 0.00 C ATOM 1106 O ARG A 74 -7.787 0.682 -8.675 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.475 0.420 -8.725 1.00 0.00 C ATOM 1108 CG ARG A 74 -10.233 1.148 -7.402 1.00 0.00 C ATOM 1109 CD ARG A 74 -10.170 2.662 -7.613 1.00 0.00 C ATOM 1110 NE ARG A 74 -8.884 3.031 -8.247 1.00 0.00 N ATOM 1111 CZ ARG A 74 -8.680 4.169 -8.926 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -9.676 5.055 -9.063 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -7.481 4.420 -9.468 1.00 0.00 N ATOM 0 H ARG A 74 -9.625 -1.274 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.927 -1.412 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.233 1.081 -9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.531 0.166 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.031 0.908 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.301 0.800 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.000 2.985 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.274 3.175 -6.657 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.104 2.379 -8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.589 4.864 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.521 5.921 -9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.723 3.745 -9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.326 5.286 -9.985 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.342 -1.449 -9.286 1.00 0.00 N ATOM 1128 CA LYS A 75 -5.913 -1.228 -9.428 1.00 0.00 C ATOM 1129 C LYS A 75 -5.656 -0.351 -10.655 1.00 0.00 C ATOM 1130 O LYS A 75 -6.013 0.826 -10.666 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.164 -2.562 -9.458 1.00 0.00 C ATOM 1132 CG LYS A 75 -4.436 -2.752 -10.790 1.00 0.00 C ATOM 1133 CD LYS A 75 -3.894 -4.177 -10.920 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.373 -4.438 -12.335 1.00 0.00 C ATOM 1135 NZ LYS A 75 -1.913 -4.679 -12.313 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.040 -0.958 -11.658 1.00 0.00 O ATOM 0 H LYS A 75 -7.648 -2.401 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.524 -0.690 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.446 -2.599 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.866 -3.381 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.118 -2.542 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.615 -2.039 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.092 -4.332 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.681 -4.892 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.884 -5.300 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.597 -3.584 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.575 -4.854 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.429 -3.845 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.707 -5.507 -11.719 1.00 0.00 H new