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 36 MET CE :methyl 180:sc= -0.327 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.337 K(o=-0.66,f=0) USER MOD Set 2.1: A 28 THR OG1 : rot -137:sc= 0.0887! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 8 GLN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0561 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 0.0521 USER MOD Single : A 38 SER OG : rot -60:sc= 1.26 USER MOD Single : A 42 ASN : amide:sc= -1.11! C(o=-1.1!,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.429 K(o=-0.43,f=-2) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.143 K(o=-0.14,f=-1) USER MOD Single : A 60 ASN : amide:sc= -11.3! C(o=-11!,f=-18!) USER MOD Single : A 62 THR OG1 : rot 170:sc= 0.108 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+ -160:sc= -0.021 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.547 -13.895 3.513 1.00 0.00 N ATOM 106 CA GLU A 7 -13.658 -14.954 3.066 1.00 0.00 C ATOM 107 C GLU A 7 -12.726 -14.437 1.968 1.00 0.00 C ATOM 108 O GLU A 7 -11.537 -14.750 1.960 1.00 0.00 O ATOM 109 CB GLU A 7 -14.452 -16.170 2.585 1.00 0.00 C ATOM 110 CG GLU A 7 -15.365 -16.701 3.691 1.00 0.00 C ATOM 111 CD GLU A 7 -15.154 -18.202 3.903 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.986 -18.633 3.786 1.00 0.00 O ATOM 113 OE2 GLU A 7 -16.165 -18.884 4.178 1.00 0.00 O ATOM 0 HA GLU A 7 -13.049 -15.271 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.049 -15.898 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.765 -16.955 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.165 -16.167 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.406 -16.510 3.431 1.00 0.00 H new ATOM 120 N GLN A 8 -13.303 -13.655 1.067 1.00 0.00 N ATOM 121 CA GLN A 8 -12.540 -13.092 -0.033 1.00 0.00 C ATOM 122 C GLN A 8 -11.440 -12.171 0.500 1.00 0.00 C ATOM 123 O GLN A 8 -10.306 -12.214 0.026 1.00 0.00 O ATOM 124 CB GLN A 8 -13.453 -12.348 -1.010 1.00 0.00 C ATOM 125 CG GLN A 8 -13.412 -12.992 -2.397 1.00 0.00 C ATOM 126 CD GLN A 8 -14.562 -13.987 -2.574 1.00 0.00 C ATOM 127 OE1 GLN A 8 -15.415 -13.842 -3.433 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.536 -15.001 -1.714 1.00 0.00 N ATOM 0 H GLN A 8 -14.290 -13.398 1.077 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.069 -13.910 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.476 -12.353 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.144 -11.305 -1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.474 -12.219 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.459 -13.503 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.792 -15.061 -1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.260 -15.718 -1.749 1.00 0.00 H new ATOM 137 N ILE A 9 -11.815 -11.359 1.477 1.00 0.00 N ATOM 138 CA ILE A 9 -10.875 -10.429 2.080 1.00 0.00 C ATOM 139 C ILE A 9 -9.667 -11.203 2.610 1.00 0.00 C ATOM 140 O ILE A 9 -8.524 -10.829 2.354 1.00 0.00 O ATOM 141 CB ILE A 9 -11.572 -9.575 3.141 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.236 -8.093 2.960 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.240 -10.070 4.549 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.290 -7.392 2.100 1.00 0.00 C ATOM 0 H ILE A 9 -12.757 -11.326 1.866 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.502 -9.727 1.334 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.649 -9.679 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.176 -7.609 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.256 -7.993 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.748 -9.445 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.571 -11.103 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.163 -10.015 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.027 -6.340 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.330 -7.863 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.265 -7.473 2.581 1.00 0.00 H new ATOM 156 N ALA A 10 -9.962 -12.269 3.341 1.00 0.00 N ATOM 157 CA ALA A 10 -8.914 -13.099 3.910 1.00 0.00 C ATOM 158 C ALA A 10 -7.816 -13.313 2.866 1.00 0.00 C ATOM 159 O ALA A 10 -6.632 -13.332 3.201 1.00 0.00 O ATOM 160 CB ALA A 10 -9.517 -14.417 4.400 1.00 0.00 C ATOM 0 H ALA A 10 -10.911 -12.576 3.552 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.460 -12.608 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.731 -15.040 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.271 -14.212 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.979 -14.939 3.562 1.00 0.00 H new ATOM 166 N GLU A 11 -8.247 -13.468 1.623 1.00 0.00 N ATOM 167 CA GLU A 11 -7.315 -13.680 0.529 1.00 0.00 C ATOM 168 C GLU A 11 -6.543 -12.392 0.232 1.00 0.00 C ATOM 169 O GLU A 11 -5.346 -12.432 -0.047 1.00 0.00 O ATOM 170 CB GLU A 11 -8.040 -14.184 -0.720 1.00 0.00 C ATOM 171 CG GLU A 11 -8.702 -15.539 -0.460 1.00 0.00 C ATOM 172 CD GLU A 11 -9.388 -16.066 -1.723 1.00 0.00 C ATOM 173 OE1 GLU A 11 -10.549 -15.662 -1.948 1.00 0.00 O ATOM 174 OE2 GLU A 11 -8.735 -16.860 -2.433 1.00 0.00 O ATOM 0 H GLU A 11 -9.229 -13.451 1.349 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.602 -14.448 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.795 -13.459 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.333 -14.273 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.953 -16.255 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.434 -15.442 0.342 1.00 0.00 H new ATOM 181 N PHE A 12 -7.261 -11.281 0.303 1.00 0.00 N ATOM 182 CA PHE A 12 -6.659 -9.983 0.045 1.00 0.00 C ATOM 183 C PHE A 12 -5.658 -9.616 1.142 1.00 0.00 C ATOM 184 O PHE A 12 -4.654 -8.958 0.876 1.00 0.00 O ATOM 185 CB PHE A 12 -7.794 -8.957 0.042 1.00 0.00 C ATOM 186 CG PHE A 12 -8.530 -8.848 -1.295 1.00 0.00 C ATOM 187 CD1 PHE A 12 -7.832 -8.890 -2.462 1.00 0.00 C ATOM 188 CD2 PHE A 12 -9.883 -8.709 -1.317 1.00 0.00 C ATOM 189 CE1 PHE A 12 -8.515 -8.789 -3.702 1.00 0.00 C ATOM 190 CE2 PHE A 12 -10.566 -8.608 -2.557 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.868 -8.650 -3.724 1.00 0.00 C ATOM 0 H PHE A 12 -8.254 -11.252 0.535 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.125 -10.002 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.511 -9.221 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.387 -7.980 0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.758 -9.000 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.437 -8.675 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.961 -8.823 -4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.640 -8.498 -2.574 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.388 -8.573 -4.668 1.00 0.00 H new ATOM 201 N LYS A 13 -5.967 -10.057 2.353 1.00 0.00 N ATOM 202 CA LYS A 13 -5.107 -9.783 3.492 1.00 0.00 C ATOM 203 C LYS A 13 -3.644 -9.886 3.057 1.00 0.00 C ATOM 204 O LYS A 13 -2.894 -8.916 3.155 1.00 0.00 O ATOM 205 CB LYS A 13 -5.465 -10.696 4.666 1.00 0.00 C ATOM 206 CG LYS A 13 -6.660 -10.143 5.445 1.00 0.00 C ATOM 207 CD LYS A 13 -6.464 -10.326 6.952 1.00 0.00 C ATOM 208 CE LYS A 13 -7.580 -11.187 7.549 1.00 0.00 C ATOM 209 NZ LYS A 13 -7.102 -11.886 8.763 1.00 0.00 N ATOM 0 H LYS A 13 -6.801 -10.602 2.570 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.263 -8.766 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.698 -11.695 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.607 -10.794 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.789 -9.085 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.571 -10.651 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.498 -10.793 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.450 -9.352 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.437 -10.561 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.919 -11.915 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.871 -12.466 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.298 -12.498 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.800 -11.186 9.471 1.00 0.00 H new ATOM 223 N GLU A 14 -3.282 -11.070 2.585 1.00 0.00 N ATOM 224 CA GLU A 14 -1.922 -11.312 2.135 1.00 0.00 C ATOM 225 C GLU A 14 -1.477 -10.209 1.173 1.00 0.00 C ATOM 226 O GLU A 14 -0.348 -9.727 1.255 1.00 0.00 O ATOM 227 CB GLU A 14 -1.798 -12.691 1.482 1.00 0.00 C ATOM 228 CG GLU A 14 -2.125 -13.802 2.482 1.00 0.00 C ATOM 229 CD GLU A 14 -1.331 -15.072 2.169 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.661 -15.710 1.146 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.412 -15.376 2.960 1.00 0.00 O ATOM 0 H GLU A 14 -3.907 -11.872 2.505 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.264 -11.297 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.473 -12.755 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.786 -12.827 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.896 -13.465 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.193 -14.020 2.453 1.00 0.00 H new ATOM 238 N ALA A 15 -2.387 -9.840 0.284 1.00 0.00 N ATOM 239 CA ALA A 15 -2.102 -8.802 -0.692 1.00 0.00 C ATOM 240 C ALA A 15 -1.589 -7.555 0.031 1.00 0.00 C ATOM 241 O ALA A 15 -0.504 -7.060 -0.272 1.00 0.00 O ATOM 242 CB ALA A 15 -3.358 -8.521 -1.520 1.00 0.00 C ATOM 0 H ALA A 15 -3.322 -10.241 0.219 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.323 -9.127 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.144 -7.742 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.664 -9.431 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.161 -8.190 -0.862 1.00 0.00 H new ATOM 248 N PHE A 16 -2.393 -7.083 0.972 1.00 0.00 N ATOM 249 CA PHE A 16 -2.033 -5.903 1.740 1.00 0.00 C ATOM 250 C PHE A 16 -0.644 -6.057 2.364 1.00 0.00 C ATOM 251 O PHE A 16 0.102 -5.086 2.472 1.00 0.00 O ATOM 252 CB PHE A 16 -3.069 -5.765 2.858 1.00 0.00 C ATOM 253 CG PHE A 16 -2.910 -4.497 3.700 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.105 -3.276 3.135 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.574 -4.592 5.015 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.958 -2.100 3.916 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.426 -3.416 5.796 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.621 -2.194 5.230 1.00 0.00 C ATOM 0 H PHE A 16 -3.292 -7.496 1.220 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.015 -5.028 1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.066 -5.774 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.001 -6.634 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.372 -3.201 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.420 -5.562 5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.114 -1.130 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.159 -3.491 6.840 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.508 -1.299 5.824 1.00 0.00 H new ATOM 268 N SER A 17 -0.340 -7.285 2.758 1.00 0.00 N ATOM 269 CA SER A 17 0.945 -7.578 3.367 1.00 0.00 C ATOM 270 C SER A 17 2.077 -7.195 2.412 1.00 0.00 C ATOM 271 O SER A 17 2.994 -6.468 2.790 1.00 0.00 O ATOM 272 CB SER A 17 1.050 -9.057 3.748 1.00 0.00 C ATOM 273 OG SER A 17 1.874 -9.256 4.893 1.00 0.00 O ATOM 0 H SER A 17 -0.962 -8.088 2.667 1.00 0.00 H new ATOM 0 HA SER A 17 1.033 -6.988 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.054 -9.452 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.455 -9.620 2.907 1.00 0.00 H new ATOM 0 HG SER A 17 1.914 -10.212 5.105 1.00 0.00 H new ATOM 279 N LEU A 18 1.976 -7.702 1.192 1.00 0.00 N ATOM 280 CA LEU A 18 2.980 -7.421 0.179 1.00 0.00 C ATOM 281 C LEU A 18 3.469 -5.980 0.338 1.00 0.00 C ATOM 282 O LEU A 18 4.664 -5.742 0.507 1.00 0.00 O ATOM 283 CB LEU A 18 2.436 -7.736 -1.216 1.00 0.00 C ATOM 284 CG LEU A 18 3.083 -8.921 -1.936 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.239 -10.188 -1.775 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.348 -8.591 -3.406 1.00 0.00 C ATOM 0 H LEU A 18 1.215 -8.306 0.882 1.00 0.00 H new ATOM 0 HA LEU A 18 3.847 -8.068 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.366 -7.927 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.554 -6.849 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 18 4.049 -9.117 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.721 -11.015 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.146 -10.431 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.248 -10.021 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.808 -9.450 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.406 -8.353 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.019 -7.734 -3.471 1.00 0.00 H new ATOM 298 N PHE A 19 2.521 -5.057 0.277 1.00 0.00 N ATOM 299 CA PHE A 19 2.840 -3.646 0.412 1.00 0.00 C ATOM 300 C PHE A 19 3.256 -3.313 1.846 1.00 0.00 C ATOM 301 O PHE A 19 4.232 -2.595 2.062 1.00 0.00 O ATOM 302 CB PHE A 19 1.571 -2.865 0.067 1.00 0.00 C ATOM 303 CG PHE A 19 1.269 -2.799 -1.431 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.034 -2.024 -2.246 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.235 -3.516 -1.949 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.753 -1.962 -3.637 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.046 -3.454 -3.340 1.00 0.00 C ATOM 308 CZ PHE A 19 0.719 -2.679 -4.154 1.00 0.00 C ATOM 0 H PHE A 19 1.531 -5.259 0.136 1.00 0.00 H new ATOM 0 HA PHE A 19 3.668 -3.387 -0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.724 -3.323 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.665 -1.850 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.855 -1.456 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.372 -4.132 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.360 -1.346 -4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.867 -4.022 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.506 -2.633 -5.212 1.00 0.00 H new ATOM 318 N ASP A 20 2.495 -3.849 2.789 1.00 0.00 N ATOM 319 CA ASP A 20 2.773 -3.617 4.196 1.00 0.00 C ATOM 320 C ASP A 20 3.850 -4.596 4.667 1.00 0.00 C ATOM 321 O ASP A 20 3.536 -5.679 5.160 1.00 0.00 O ATOM 322 CB ASP A 20 1.522 -3.843 5.048 1.00 0.00 C ATOM 323 CG ASP A 20 1.763 -3.856 6.559 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.856 -3.403 6.964 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.849 -4.318 7.276 1.00 0.00 O ATOM 0 H ASP A 20 1.686 -4.443 2.606 1.00 0.00 H new ATOM 0 HA ASP A 20 3.105 -2.585 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.798 -3.062 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.070 -4.792 4.759 1.00 0.00 H new ATOM 330 N LYS A 21 5.096 -4.181 4.499 1.00 0.00 N ATOM 331 CA LYS A 21 6.221 -5.008 4.901 1.00 0.00 C ATOM 332 C LYS A 21 6.166 -5.237 6.413 1.00 0.00 C ATOM 333 O LYS A 21 6.051 -6.374 6.868 1.00 0.00 O ATOM 334 CB LYS A 21 7.537 -4.394 4.420 1.00 0.00 C ATOM 335 CG LYS A 21 8.696 -5.380 4.584 1.00 0.00 C ATOM 336 CD LYS A 21 8.930 -6.171 3.296 1.00 0.00 C ATOM 337 CE LYS A 21 10.397 -6.586 3.167 1.00 0.00 C ATOM 338 NZ LYS A 21 10.738 -6.851 1.751 1.00 0.00 N ATOM 0 H LYS A 21 5.352 -3.282 4.090 1.00 0.00 H new ATOM 0 HA LYS A 21 6.161 -5.988 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.446 -4.105 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.746 -3.485 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.603 -4.839 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.481 -6.067 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.296 -7.057 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.642 -5.566 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.040 -5.799 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.583 -7.478 3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.737 -7.131 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.137 -7.618 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.580 -5.990 1.189 1.00 0.00 H new ATOM 352 N ASP A 22 6.251 -4.139 7.149 1.00 0.00 N ATOM 353 CA ASP A 22 6.212 -4.206 8.600 1.00 0.00 C ATOM 354 C ASP A 22 5.050 -5.102 9.034 1.00 0.00 C ATOM 355 O ASP A 22 5.070 -5.662 10.129 1.00 0.00 O ATOM 356 CB ASP A 22 5.993 -2.819 9.209 1.00 0.00 C ATOM 357 CG ASP A 22 6.757 -1.684 8.525 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.892 -1.954 8.075 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.189 -0.572 8.466 1.00 0.00 O ATOM 0 H ASP A 22 6.347 -3.198 6.768 1.00 0.00 H new ATOM 0 HA ASP A 22 7.166 -4.605 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.928 -2.590 9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.283 -2.850 10.259 1.00 0.00 H new ATOM 364 N GLY A 23 4.066 -5.209 8.153 1.00 0.00 N ATOM 365 CA GLY A 23 2.899 -6.028 8.431 1.00 0.00 C ATOM 366 C GLY A 23 2.189 -5.556 9.702 1.00 0.00 C ATOM 367 O GLY A 23 1.389 -6.291 10.280 1.00 0.00 O ATOM 0 H GLY A 23 4.053 -4.742 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.210 -5.984 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.200 -7.070 8.543 1.00 0.00 H new ATOM 371 N ASP A 24 2.507 -4.333 10.100 1.00 0.00 N ATOM 372 CA ASP A 24 1.910 -3.755 11.292 1.00 0.00 C ATOM 373 C ASP A 24 0.396 -3.650 11.099 1.00 0.00 C ATOM 374 O ASP A 24 -0.362 -3.721 12.065 1.00 0.00 O ATOM 375 CB ASP A 24 2.452 -2.348 11.552 1.00 0.00 C ATOM 376 CG ASP A 24 2.485 -1.431 10.328 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.821 -1.790 9.332 1.00 0.00 O ATOM 378 OD2 ASP A 24 3.174 -0.391 10.416 1.00 0.00 O ATOM 0 H ASP A 24 3.170 -3.726 9.618 1.00 0.00 H new ATOM 0 HA ASP A 24 2.154 -4.398 12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.843 -1.877 12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.463 -2.432 11.951 1.00 0.00 H new ATOM 383 N GLY A 25 0.001 -3.484 9.846 1.00 0.00 N ATOM 384 CA GLY A 25 -1.409 -3.369 9.514 1.00 0.00 C ATOM 385 C GLY A 25 -1.684 -2.086 8.727 1.00 0.00 C ATOM 386 O GLY A 25 -2.834 -1.776 8.420 1.00 0.00 O ATOM 0 H GLY A 25 0.633 -3.426 9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.720 -4.233 8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.003 -3.374 10.428 1.00 0.00 H new ATOM 390 N THR A 26 -0.609 -1.375 8.422 1.00 0.00 N ATOM 391 CA THR A 26 -0.720 -0.133 7.676 1.00 0.00 C ATOM 392 C THR A 26 0.344 -0.073 6.578 1.00 0.00 C ATOM 393 O THR A 26 1.414 -0.665 6.712 1.00 0.00 O ATOM 394 CB THR A 26 -0.632 1.026 8.672 1.00 0.00 C ATOM 395 OG1 THR A 26 0.400 0.632 9.573 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.876 1.135 9.555 1.00 0.00 C ATOM 0 H THR A 26 0.343 -1.635 8.678 1.00 0.00 H new ATOM 0 HA THR A 26 -1.678 -0.066 7.160 1.00 0.00 H new ATOM 0 HB THR A 26 -0.489 1.961 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.525 1.328 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.762 1.973 10.243 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.754 1.297 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.001 0.213 10.123 1.00 0.00 H new ATOM 404 N ILE A 27 0.013 0.648 5.517 1.00 0.00 N ATOM 405 CA ILE A 27 0.926 0.794 4.396 1.00 0.00 C ATOM 406 C ILE A 27 1.287 2.271 4.226 1.00 0.00 C ATOM 407 O ILE A 27 0.521 3.038 3.645 1.00 0.00 O ATOM 408 CB ILE A 27 0.336 0.156 3.137 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.112 -1.345 3.336 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.207 0.448 1.914 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.650 -1.947 2.154 1.00 0.00 C ATOM 0 H ILE A 27 -0.875 1.138 5.410 1.00 0.00 H new ATOM 0 HA ILE A 27 1.856 0.259 4.590 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.640 0.606 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.073 -1.848 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.446 -1.514 4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.765 -0.017 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.271 1.525 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.207 0.044 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.796 -3.014 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.620 -1.459 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.078 -1.798 1.238 1.00 0.00 H new ATOM 423 N THR A 28 2.454 2.625 4.743 1.00 0.00 N ATOM 424 CA THR A 28 2.926 3.997 4.655 1.00 0.00 C ATOM 425 C THR A 28 3.347 4.325 3.222 1.00 0.00 C ATOM 426 O THR A 28 2.827 3.745 2.270 1.00 0.00 O ATOM 427 CB THR A 28 4.052 4.176 5.675 1.00 0.00 C ATOM 428 OG1 THR A 28 4.457 5.532 5.512 1.00 0.00 O ATOM 429 CG2 THR A 28 5.302 3.369 5.316 1.00 0.00 C ATOM 0 H THR A 28 3.087 1.986 5.224 1.00 0.00 H new ATOM 0 HA THR A 28 2.133 4.704 4.897 1.00 0.00 H new ATOM 0 HB THR A 28 3.698 3.877 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.435 5.585 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.070 3.532 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.052 2.309 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.676 3.691 4.344 1.00 0.00 H new ATOM 437 N THR A 29 4.285 5.255 3.113 1.00 0.00 N ATOM 438 CA THR A 29 4.782 5.668 1.811 1.00 0.00 C ATOM 439 C THR A 29 5.930 4.760 1.366 1.00 0.00 C ATOM 440 O THR A 29 5.880 4.174 0.286 1.00 0.00 O ATOM 441 CB THR A 29 5.174 7.144 1.901 1.00 0.00 C ATOM 442 OG1 THR A 29 5.728 7.277 3.207 1.00 0.00 O ATOM 443 CG2 THR A 29 3.958 8.073 1.915 1.00 0.00 C ATOM 0 H THR A 29 4.714 5.734 3.905 1.00 0.00 H new ATOM 0 HA THR A 29 4.014 5.567 1.044 1.00 0.00 H new ATOM 0 HB THR A 29 5.817 7.401 1.059 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.010 8.205 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.292 9.109 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.383 7.934 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.331 7.839 2.776 1.00 0.00 H new ATOM 451 N LYS A 30 6.938 4.672 2.221 1.00 0.00 N ATOM 452 CA LYS A 30 8.097 3.845 1.930 1.00 0.00 C ATOM 453 C LYS A 30 7.634 2.427 1.593 1.00 0.00 C ATOM 454 O LYS A 30 8.142 1.810 0.657 1.00 0.00 O ATOM 455 CB LYS A 30 9.102 3.907 3.081 1.00 0.00 C ATOM 456 CG LYS A 30 10.535 3.749 2.567 1.00 0.00 C ATOM 457 CD LYS A 30 11.550 4.113 3.653 1.00 0.00 C ATOM 458 CE LYS A 30 12.883 3.401 3.417 1.00 0.00 C ATOM 459 NZ LYS A 30 13.931 4.375 3.039 1.00 0.00 N ATOM 0 H LYS A 30 6.976 5.160 3.116 1.00 0.00 H new ATOM 0 HA LYS A 30 8.626 4.224 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.002 4.858 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.882 3.121 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.697 2.721 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.685 4.386 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.706 5.192 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.155 3.839 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.182 2.868 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.770 2.656 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.829 3.875 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.651 4.865 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.050 5.070 3.803 1.00 0.00 H new ATOM 473 N GLU A 31 6.675 1.950 2.373 1.00 0.00 N ATOM 474 CA GLU A 31 6.139 0.615 2.169 1.00 0.00 C ATOM 475 C GLU A 31 5.355 0.553 0.856 1.00 0.00 C ATOM 476 O GLU A 31 5.147 -0.526 0.304 1.00 0.00 O ATOM 477 CB GLU A 31 5.264 0.190 3.350 1.00 0.00 C ATOM 478 CG GLU A 31 6.074 0.154 4.647 1.00 0.00 C ATOM 479 CD GLU A 31 5.173 -0.145 5.848 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.595 -1.253 5.862 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.083 0.742 6.724 1.00 0.00 O ATOM 0 H GLU A 31 6.255 2.464 3.147 1.00 0.00 H new ATOM 0 HA GLU A 31 6.972 -0.085 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.430 0.883 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.838 -0.794 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.852 -0.606 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.576 1.111 4.793 1.00 0.00 H new ATOM 488 N LEU A 32 4.943 1.724 0.394 1.00 0.00 N ATOM 489 CA LEU A 32 4.188 1.817 -0.844 1.00 0.00 C ATOM 490 C LEU A 32 5.158 1.947 -2.020 1.00 0.00 C ATOM 491 O LEU A 32 4.856 1.511 -3.129 1.00 0.00 O ATOM 492 CB LEU A 32 3.163 2.950 -0.763 1.00 0.00 C ATOM 493 CG LEU A 32 1.988 2.863 -1.739 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.772 2.214 -1.078 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.657 4.239 -2.322 1.00 0.00 C ATOM 0 H LEU A 32 5.118 2.617 0.855 1.00 0.00 H new ATOM 0 HA LEU A 32 3.610 0.907 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.765 2.982 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.681 3.894 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 32 2.282 2.222 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.048 2.165 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.030 1.206 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.466 2.807 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.818 4.149 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.391 4.922 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.525 4.627 -2.854 1.00 0.00 H new ATOM 507 N GLY A 33 6.303 2.550 -1.736 1.00 0.00 N ATOM 508 CA GLY A 33 7.319 2.743 -2.757 1.00 0.00 C ATOM 509 C GLY A 33 8.333 1.597 -2.745 1.00 0.00 C ATOM 510 O GLY A 33 9.355 1.661 -3.427 1.00 0.00 O ATOM 0 H GLY A 33 6.550 2.911 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.847 2.805 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.833 3.690 -2.590 1.00 0.00 H new ATOM 514 N THR A 34 8.015 0.576 -1.963 1.00 0.00 N ATOM 515 CA THR A 34 8.885 -0.582 -1.854 1.00 0.00 C ATOM 516 C THR A 34 8.439 -1.678 -2.824 1.00 0.00 C ATOM 517 O THR A 34 9.194 -2.070 -3.712 1.00 0.00 O ATOM 518 CB THR A 34 8.893 -1.031 -0.391 1.00 0.00 C ATOM 519 OG1 THR A 34 10.103 -0.489 0.132 1.00 0.00 O ATOM 520 CG2 THR A 34 9.068 -2.544 -0.244 1.00 0.00 C ATOM 0 H THR A 34 7.167 0.527 -1.399 1.00 0.00 H new ATOM 0 HA THR A 34 9.908 -0.336 -2.139 1.00 0.00 H new ATOM 0 HB THR A 34 7.963 -0.725 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.931 0.406 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.067 -2.809 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.248 -3.056 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.014 -2.846 -0.693 1.00 0.00 H new ATOM 528 N VAL A 35 7.215 -2.141 -2.620 1.00 0.00 N ATOM 529 CA VAL A 35 6.659 -3.184 -3.465 1.00 0.00 C ATOM 530 C VAL A 35 6.897 -2.826 -4.934 1.00 0.00 C ATOM 531 O VAL A 35 7.004 -3.710 -5.782 1.00 0.00 O ATOM 532 CB VAL A 35 5.180 -3.394 -3.134 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.395 -3.824 -4.375 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.010 -4.406 -2.000 1.00 0.00 C ATOM 0 H VAL A 35 6.592 -1.813 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 35 7.159 -4.134 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 35 4.775 -2.440 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.347 -3.966 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.475 -3.053 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.803 -4.760 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.949 -4.537 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.440 -5.362 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.519 -4.042 -1.108 1.00 0.00 H new ATOM 544 N MET A 36 6.974 -1.528 -5.188 1.00 0.00 N ATOM 545 CA MET A 36 7.198 -1.042 -6.539 1.00 0.00 C ATOM 546 C MET A 36 8.578 -1.461 -7.050 1.00 0.00 C ATOM 547 O MET A 36 8.711 -1.916 -8.185 1.00 0.00 O ATOM 548 CB MET A 36 7.088 0.484 -6.557 1.00 0.00 C ATOM 549 CG MET A 36 5.720 0.941 -6.047 1.00 0.00 C ATOM 550 SD MET A 36 4.882 1.886 -7.308 1.00 0.00 S ATOM 551 CE MET A 36 4.020 0.573 -8.157 1.00 0.00 C ATOM 0 H MET A 36 6.885 -0.798 -4.481 1.00 0.00 H new ATOM 0 HA MET A 36 6.442 -1.477 -7.192 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.874 0.916 -5.938 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.243 0.851 -7.571 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.118 0.075 -5.770 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.841 1.546 -5.148 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.442 0.991 -8.981 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.743 -0.144 -8.547 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.349 0.069 -7.462 1.00 0.00 H new ATOM 561 N ARG A 37 9.570 -1.291 -6.188 1.00 0.00 N ATOM 562 CA ARG A 37 10.935 -1.646 -6.539 1.00 0.00 C ATOM 563 C ARG A 37 11.040 -3.149 -6.806 1.00 0.00 C ATOM 564 O ARG A 37 11.879 -3.585 -7.594 1.00 0.00 O ATOM 565 CB ARG A 37 11.907 -1.264 -5.421 1.00 0.00 C ATOM 566 CG ARG A 37 12.416 0.167 -5.602 1.00 0.00 C ATOM 567 CD ARG A 37 12.389 0.931 -4.277 1.00 0.00 C ATOM 568 NE ARG A 37 12.693 0.013 -3.157 1.00 0.00 N ATOM 569 CZ ARG A 37 13.933 -0.287 -2.747 1.00 0.00 C ATOM 570 NH1 ARG A 37 14.992 0.258 -3.361 1.00 0.00 N ATOM 571 NH2 ARG A 37 14.114 -1.130 -1.721 1.00 0.00 N ATOM 0 H ARG A 37 9.456 -0.912 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 37 11.201 -1.094 -7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.411 -1.358 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.750 -1.955 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.433 0.148 -5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.800 0.685 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.117 1.742 -4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.409 1.386 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 37 11.910 -0.418 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.854 0.901 -4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.936 0.030 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.308 -1.543 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.058 -1.358 -1.409 1.00 0.00 H new ATOM 585 N SER A 38 10.179 -3.899 -6.136 1.00 0.00 N ATOM 586 CA SER A 38 10.165 -5.344 -6.291 1.00 0.00 C ATOM 587 C SER A 38 9.772 -5.712 -7.724 1.00 0.00 C ATOM 588 O SER A 38 10.028 -6.828 -8.174 1.00 0.00 O ATOM 589 CB SER A 38 9.206 -5.996 -5.294 1.00 0.00 C ATOM 590 OG SER A 38 7.896 -6.147 -5.834 1.00 0.00 O ATOM 0 H SER A 38 9.485 -3.534 -5.484 1.00 0.00 H new ATOM 0 HA SER A 38 11.168 -5.720 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.593 -6.973 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.157 -5.391 -4.389 1.00 0.00 H new ATOM 0 HG SER A 38 7.537 -5.267 -6.072 1.00 0.00 H new ATOM 596 N LEU A 39 9.158 -4.753 -8.400 1.00 0.00 N ATOM 597 CA LEU A 39 8.728 -4.962 -9.772 1.00 0.00 C ATOM 598 C LEU A 39 9.733 -4.308 -10.723 1.00 0.00 C ATOM 599 O LEU A 39 10.564 -4.991 -11.319 1.00 0.00 O ATOM 600 CB LEU A 39 7.291 -4.472 -9.964 1.00 0.00 C ATOM 601 CG LEU A 39 6.372 -5.390 -10.772 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.286 -5.999 -9.883 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.780 -4.653 -11.975 1.00 0.00 C ATOM 0 H LEU A 39 8.948 -3.829 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 39 8.712 -6.026 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.846 -4.319 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.322 -3.499 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 39 6.970 -6.214 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.647 -6.647 -10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.751 -6.582 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.686 -5.202 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.131 -5.328 -12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.201 -3.797 -11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.586 -4.308 -12.623 1.00 0.00 H new ATOM 615 N GLY A 40 9.623 -2.992 -10.834 1.00 0.00 N ATOM 616 CA GLY A 40 10.512 -2.238 -11.702 1.00 0.00 C ATOM 617 C GLY A 40 10.142 -0.753 -11.708 1.00 0.00 C ATOM 618 O GLY A 40 10.246 -0.088 -12.738 1.00 0.00 O ATOM 0 H GLY A 40 8.932 -2.429 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.542 -2.359 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.458 -2.634 -12.716 1.00 0.00 H new ATOM 622 N GLN A 41 9.720 -0.276 -10.546 1.00 0.00 N ATOM 623 CA GLN A 41 9.334 1.117 -10.405 1.00 0.00 C ATOM 624 C GLN A 41 9.997 1.728 -9.168 1.00 0.00 C ATOM 625 O GLN A 41 10.573 1.012 -8.351 1.00 0.00 O ATOM 626 CB GLN A 41 7.813 1.262 -10.339 1.00 0.00 C ATOM 627 CG GLN A 41 7.193 1.173 -11.735 1.00 0.00 C ATOM 628 CD GLN A 41 5.686 1.435 -11.684 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.190 2.450 -12.142 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.988 0.464 -11.101 1.00 0.00 N ATOM 0 H GLN A 41 9.637 -0.830 -9.694 1.00 0.00 H new ATOM 0 HA GLN A 41 9.679 1.660 -11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.397 0.482 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.555 2.218 -9.883 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.669 1.898 -12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.380 0.186 -12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.466 -0.361 -10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.975 0.544 -11.017 1.00 0.00 H new ATOM 639 N ASN A 42 9.893 3.046 -9.070 1.00 0.00 N ATOM 640 CA ASN A 42 10.474 3.761 -7.947 1.00 0.00 C ATOM 641 C ASN A 42 9.934 5.192 -7.925 1.00 0.00 C ATOM 642 O ASN A 42 10.651 6.135 -8.258 1.00 0.00 O ATOM 643 CB ASN A 42 11.998 3.832 -8.070 1.00 0.00 C ATOM 644 CG ASN A 42 12.433 3.790 -9.536 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.690 4.132 -10.441 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.675 3.352 -9.719 1.00 0.00 N ATOM 0 H ASN A 42 9.415 3.637 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 42 10.210 3.228 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.361 4.749 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.449 3.000 -7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.059 3.286 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.244 3.082 -8.917 1.00 0.00 H new ATOM 653 N PRO A 43 8.642 5.313 -7.518 1.00 0.00 N ATOM 654 CA PRO A 43 7.998 6.613 -7.448 1.00 0.00 C ATOM 655 C PRO A 43 8.490 7.404 -6.234 1.00 0.00 C ATOM 656 O PRO A 43 8.788 6.825 -5.191 1.00 0.00 O ATOM 657 CB PRO A 43 6.509 6.312 -7.397 1.00 0.00 C ATOM 658 CG PRO A 43 6.392 4.857 -6.973 1.00 0.00 C ATOM 659 CD PRO A 43 7.764 4.218 -7.116 1.00 0.00 C ATOM 0 HA PRO A 43 8.234 7.246 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.002 6.967 -6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.044 6.474 -8.370 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.044 4.787 -5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.662 4.336 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.092 3.771 -6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.755 3.423 -7.862 1.00 0.00 H new ATOM 667 N THR A 44 8.559 8.715 -6.411 1.00 0.00 N ATOM 668 CA THR A 44 9.010 9.592 -5.343 1.00 0.00 C ATOM 669 C THR A 44 7.954 9.673 -4.239 1.00 0.00 C ATOM 670 O THR A 44 6.799 9.309 -4.452 1.00 0.00 O ATOM 671 CB THR A 44 9.352 10.950 -5.959 1.00 0.00 C ATOM 672 OG1 THR A 44 8.082 11.535 -6.235 1.00 0.00 O ATOM 673 CG2 THR A 44 10.010 10.821 -7.334 1.00 0.00 C ATOM 0 H THR A 44 8.310 9.192 -7.278 1.00 0.00 H new ATOM 0 HA THR A 44 9.908 9.202 -4.863 1.00 0.00 H new ATOM 0 HB THR A 44 10.017 11.495 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.210 12.420 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.232 11.814 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.935 10.252 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.333 10.305 -8.015 1.00 0.00 H new ATOM 681 N GLU A 45 8.389 10.154 -3.083 1.00 0.00 N ATOM 682 CA GLU A 45 7.495 10.288 -1.945 1.00 0.00 C ATOM 683 C GLU A 45 6.297 11.167 -2.312 1.00 0.00 C ATOM 684 O GLU A 45 5.233 11.055 -1.705 1.00 0.00 O ATOM 685 CB GLU A 45 8.236 10.850 -0.730 1.00 0.00 C ATOM 686 CG GLU A 45 9.292 9.863 -0.228 1.00 0.00 C ATOM 687 CD GLU A 45 10.650 10.550 -0.066 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.643 11.736 0.327 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.665 9.872 -0.339 1.00 0.00 O ATOM 0 H GLU A 45 9.348 10.455 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 45 7.126 9.298 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.712 11.794 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.525 11.064 0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.977 9.442 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.381 9.033 -0.929 1.00 0.00 H new ATOM 696 N ALA A 46 6.511 12.021 -3.302 1.00 0.00 N ATOM 697 CA ALA A 46 5.463 12.918 -3.756 1.00 0.00 C ATOM 698 C ALA A 46 4.361 12.104 -4.438 1.00 0.00 C ATOM 699 O ALA A 46 3.177 12.320 -4.185 1.00 0.00 O ATOM 700 CB ALA A 46 6.063 13.978 -4.681 1.00 0.00 C ATOM 0 H ALA A 46 7.395 12.110 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 46 5.012 13.440 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.276 14.651 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.819 14.547 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.522 13.492 -5.542 1.00 0.00 H new ATOM 706 N GLU A 47 4.791 11.185 -5.290 1.00 0.00 N ATOM 707 CA GLU A 47 3.856 10.338 -6.011 1.00 0.00 C ATOM 708 C GLU A 47 3.033 9.501 -5.030 1.00 0.00 C ATOM 709 O GLU A 47 1.811 9.634 -4.969 1.00 0.00 O ATOM 710 CB GLU A 47 4.588 9.444 -7.014 1.00 0.00 C ATOM 711 CG GLU A 47 3.606 8.533 -7.754 1.00 0.00 C ATOM 712 CD GLU A 47 2.807 9.319 -8.796 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.417 9.679 -9.826 1.00 0.00 O ATOM 714 OE2 GLU A 47 1.604 9.542 -8.538 1.00 0.00 O ATOM 0 H GLU A 47 5.774 11.008 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 47 3.175 10.978 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.128 10.062 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.330 8.839 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.151 7.725 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.924 8.071 -7.040 1.00 0.00 H new ATOM 721 N LEU A 48 3.734 8.658 -4.287 1.00 0.00 N ATOM 722 CA LEU A 48 3.083 7.800 -3.311 1.00 0.00 C ATOM 723 C LEU A 48 2.011 8.601 -2.569 1.00 0.00 C ATOM 724 O LEU A 48 0.837 8.235 -2.584 1.00 0.00 O ATOM 725 CB LEU A 48 4.119 7.156 -2.388 1.00 0.00 C ATOM 726 CG LEU A 48 5.201 6.319 -3.074 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.516 6.378 -2.294 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.727 4.881 -3.290 1.00 0.00 C ATOM 0 H LEU A 48 4.747 8.550 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 48 2.576 6.973 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.607 7.945 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.595 6.521 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 48 5.391 6.747 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.268 5.775 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.858 7.411 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.360 5.990 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.515 4.308 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.492 4.427 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.836 4.882 -3.918 1.00 0.00 H new ATOM 740 N GLN A 49 2.453 9.678 -1.938 1.00 0.00 N ATOM 741 CA GLN A 49 1.546 10.534 -1.192 1.00 0.00 C ATOM 742 C GLN A 49 0.249 10.742 -1.975 1.00 0.00 C ATOM 743 O GLN A 49 -0.839 10.702 -1.402 1.00 0.00 O ATOM 744 CB GLN A 49 2.206 11.873 -0.858 1.00 0.00 C ATOM 745 CG GLN A 49 1.998 12.235 0.614 1.00 0.00 C ATOM 746 CD GLN A 49 2.996 11.495 1.507 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.167 11.357 1.192 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.469 11.027 2.636 1.00 0.00 N ATOM 0 H GLN A 49 3.428 9.978 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 49 1.304 10.041 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.273 11.821 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.789 12.656 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.113 13.311 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.981 11.984 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.481 11.178 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.053 10.518 3.299 1.00 0.00 H new ATOM 757 N ASP A 50 0.406 10.960 -3.272 1.00 0.00 N ATOM 758 CA ASP A 50 -0.740 11.175 -4.140 1.00 0.00 C ATOM 759 C ASP A 50 -1.541 9.876 -4.250 1.00 0.00 C ATOM 760 O ASP A 50 -2.771 9.901 -4.268 1.00 0.00 O ATOM 761 CB ASP A 50 -0.297 11.577 -5.548 1.00 0.00 C ATOM 762 CG ASP A 50 -0.688 12.996 -5.968 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.022 13.931 -5.538 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.688 13.113 -6.709 1.00 0.00 O ATOM 0 H ASP A 50 1.310 10.992 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.344 11.974 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.787 11.480 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.723 10.872 -6.262 1.00 0.00 H new ATOM 769 N MET A 51 -0.812 8.772 -4.319 1.00 0.00 N ATOM 770 CA MET A 51 -1.440 7.466 -4.426 1.00 0.00 C ATOM 771 C MET A 51 -2.148 7.089 -3.124 1.00 0.00 C ATOM 772 O MET A 51 -3.296 6.647 -3.142 1.00 0.00 O ATOM 773 CB MET A 51 -0.378 6.414 -4.753 1.00 0.00 C ATOM 774 CG MET A 51 0.431 6.817 -5.988 1.00 0.00 C ATOM 775 SD MET A 51 1.926 5.845 -6.082 1.00 0.00 S ATOM 776 CE MET A 51 1.397 4.574 -7.218 1.00 0.00 C ATOM 0 H MET A 51 0.208 8.755 -4.303 1.00 0.00 H new ATOM 0 HA MET A 51 -2.183 7.505 -5.223 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.290 6.290 -3.901 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.857 5.450 -4.926 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.166 6.669 -6.888 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.679 7.877 -5.940 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.216 3.876 -7.390 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.547 4.039 -6.795 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.105 5.030 -8.164 1.00 0.00 H new ATOM 786 N ILE A 52 -1.434 7.279 -2.023 1.00 0.00 N ATOM 787 CA ILE A 52 -1.980 6.964 -0.714 1.00 0.00 C ATOM 788 C ILE A 52 -3.333 7.660 -0.550 1.00 0.00 C ATOM 789 O ILE A 52 -4.328 7.020 -0.216 1.00 0.00 O ATOM 790 CB ILE A 52 -0.973 7.311 0.384 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.222 6.356 0.353 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.647 7.341 1.757 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.005 6.414 1.666 1.00 0.00 C ATOM 0 H ILE A 52 -0.483 7.647 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.159 5.893 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.590 8.313 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.126 5.338 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.878 6.616 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.909 7.590 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.437 8.092 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.076 6.363 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.849 5.726 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.372 7.428 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.352 6.130 2.492 1.00 0.00 H new ATOM 805 N ASN A 53 -3.325 8.963 -0.791 1.00 0.00 N ATOM 806 CA ASN A 53 -4.539 9.753 -0.674 1.00 0.00 C ATOM 807 C ASN A 53 -5.687 9.022 -1.372 1.00 0.00 C ATOM 808 O ASN A 53 -6.731 8.779 -0.768 1.00 0.00 O ATOM 809 CB ASN A 53 -4.373 11.120 -1.341 1.00 0.00 C ATOM 810 CG ASN A 53 -3.948 12.180 -0.322 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.378 12.188 0.819 1.00 0.00 O ATOM 812 ND2 ASN A 53 -3.082 13.070 -0.798 1.00 0.00 N ATOM 0 H ASN A 53 -2.497 9.491 -1.067 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.750 9.893 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.628 11.054 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.312 11.416 -1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.737 13.818 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.763 13.005 -1.765 1.00 0.00 H new ATOM 819 N GLU A 54 -5.456 8.693 -2.634 1.00 0.00 N ATOM 820 CA GLU A 54 -6.459 7.995 -3.421 1.00 0.00 C ATOM 821 C GLU A 54 -7.062 6.845 -2.612 1.00 0.00 C ATOM 822 O GLU A 54 -8.261 6.584 -2.697 1.00 0.00 O ATOM 823 CB GLU A 54 -5.867 7.488 -4.738 1.00 0.00 C ATOM 824 CG GLU A 54 -5.656 8.638 -5.723 1.00 0.00 C ATOM 825 CD GLU A 54 -5.598 8.124 -7.163 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.653 7.360 -7.456 1.00 0.00 O ATOM 827 OE2 GLU A 54 -6.501 8.506 -7.939 1.00 0.00 O ATOM 0 H GLU A 54 -4.589 8.897 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.255 8.698 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.917 6.990 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.533 6.745 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.466 9.360 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.731 9.162 -5.483 1.00 0.00 H new ATOM 834 N VAL A 55 -6.203 6.188 -1.846 1.00 0.00 N ATOM 835 CA VAL A 55 -6.637 5.072 -1.022 1.00 0.00 C ATOM 836 C VAL A 55 -6.579 5.479 0.452 1.00 0.00 C ATOM 837 O VAL A 55 -6.277 4.656 1.315 1.00 0.00 O ATOM 838 CB VAL A 55 -5.795 3.834 -1.334 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.495 2.938 -2.358 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.397 4.228 -1.816 1.00 0.00 C ATOM 0 H VAL A 55 -5.209 6.407 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.671 4.811 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.683 3.265 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.875 2.065 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.457 2.615 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.652 3.495 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.819 3.329 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.480 4.830 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.894 4.806 -1.040 1.00 0.00 H new ATOM 850 N ASP A 56 -6.873 6.748 0.694 1.00 0.00 N ATOM 851 CA ASP A 56 -6.859 7.273 2.049 1.00 0.00 C ATOM 852 C ASP A 56 -7.705 8.547 2.106 1.00 0.00 C ATOM 853 O ASP A 56 -7.204 9.641 1.850 1.00 0.00 O ATOM 854 CB ASP A 56 -5.437 7.631 2.486 1.00 0.00 C ATOM 855 CG ASP A 56 -5.346 8.539 3.713 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.896 8.134 4.760 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.728 9.617 3.578 1.00 0.00 O ATOM 0 H ASP A 56 -7.122 7.428 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.258 6.506 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.894 6.709 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.929 8.119 1.654 1.00 0.00 H new ATOM 862 N ALA A 57 -8.972 8.362 2.445 1.00 0.00 N ATOM 863 CA ALA A 57 -9.893 9.483 2.539 1.00 0.00 C ATOM 864 C ALA A 57 -9.861 10.044 3.962 1.00 0.00 C ATOM 865 O ALA A 57 -10.465 11.080 4.238 1.00 0.00 O ATOM 866 CB ALA A 57 -11.293 9.030 2.122 1.00 0.00 C ATOM 0 H ALA A 57 -9.383 7.453 2.658 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.595 10.283 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.983 9.870 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.267 8.667 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.628 8.229 2.781 1.00 0.00 H new ATOM 872 N ASP A 58 -9.151 9.336 4.828 1.00 0.00 N ATOM 873 CA ASP A 58 -9.033 9.751 6.215 1.00 0.00 C ATOM 874 C ASP A 58 -7.943 10.817 6.333 1.00 0.00 C ATOM 875 O ASP A 58 -8.041 11.722 7.161 1.00 0.00 O ATOM 876 CB ASP A 58 -8.643 8.574 7.111 1.00 0.00 C ATOM 877 CG ASP A 58 -7.204 8.607 7.632 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.882 9.580 8.347 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.460 7.659 7.302 1.00 0.00 O ATOM 0 H ASP A 58 -8.652 8.477 4.596 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.000 10.141 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.322 8.545 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.791 7.649 6.555 1.00 0.00 H new ATOM 884 N GLY A 59 -6.928 10.675 5.494 1.00 0.00 N ATOM 885 CA GLY A 59 -5.819 11.615 5.494 1.00 0.00 C ATOM 886 C GLY A 59 -4.918 11.400 6.711 1.00 0.00 C ATOM 887 O GLY A 59 -4.361 12.354 7.252 1.00 0.00 O ATOM 0 H GLY A 59 -6.850 9.923 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.237 11.496 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.202 12.635 5.497 1.00 0.00 H new ATOM 891 N ASN A 60 -4.801 10.140 7.105 1.00 0.00 N ATOM 892 CA ASN A 60 -3.976 9.787 8.248 1.00 0.00 C ATOM 893 C ASN A 60 -2.502 9.842 7.844 1.00 0.00 C ATOM 894 O ASN A 60 -1.625 9.977 8.697 1.00 0.00 O ATOM 895 CB ASN A 60 -4.282 8.368 8.731 1.00 0.00 C ATOM 896 CG ASN A 60 -3.986 7.341 7.636 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.673 7.674 6.504 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.102 6.077 8.033 1.00 0.00 N ATOM 0 H ASN A 60 -5.264 9.351 6.653 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.190 10.494 9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.685 8.144 9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.329 8.298 9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.925 5.318 7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.368 5.867 8.995 1.00 0.00 H new ATOM 905 N GLY A 61 -2.273 9.735 6.544 1.00 0.00 N ATOM 906 CA GLY A 61 -0.920 9.771 6.016 1.00 0.00 C ATOM 907 C GLY A 61 -0.464 8.377 5.581 1.00 0.00 C ATOM 908 O GLY A 61 0.405 8.245 4.721 1.00 0.00 O ATOM 0 H GLY A 61 -3.002 9.623 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.875 10.454 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.240 10.160 6.774 1.00 0.00 H new ATOM 912 N THR A 62 -1.071 7.372 6.195 1.00 0.00 N ATOM 913 CA THR A 62 -0.738 5.993 5.882 1.00 0.00 C ATOM 914 C THR A 62 -1.925 5.297 5.212 1.00 0.00 C ATOM 915 O THR A 62 -2.958 5.919 4.970 1.00 0.00 O ATOM 916 CB THR A 62 -0.285 5.311 7.174 1.00 0.00 C ATOM 917 OG1 THR A 62 0.328 4.103 6.732 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.461 4.840 8.032 1.00 0.00 C ATOM 0 H THR A 62 -1.792 7.485 6.908 1.00 0.00 H new ATOM 0 HA THR A 62 0.080 5.937 5.164 1.00 0.00 H new ATOM 0 HB THR A 62 0.331 6.000 7.751 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.791 3.677 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.083 4.363 8.937 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.079 5.696 8.304 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.060 4.125 7.468 1.00 0.00 H new ATOM 926 N ILE A 63 -1.736 4.016 4.930 1.00 0.00 N ATOM 927 CA ILE A 63 -2.778 3.229 4.292 1.00 0.00 C ATOM 928 C ILE A 63 -3.118 2.028 5.177 1.00 0.00 C ATOM 929 O ILE A 63 -2.234 1.444 5.802 1.00 0.00 O ATOM 930 CB ILE A 63 -2.366 2.847 2.869 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.188 4.092 1.997 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.359 1.857 2.258 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.339 4.232 0.999 1.00 0.00 C ATOM 0 H ILE A 63 -0.877 3.504 5.132 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.690 3.817 4.188 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.399 2.346 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.140 4.979 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.242 4.032 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.043 1.602 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.393 0.953 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.350 2.309 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.188 5.125 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.369 3.355 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.281 4.317 1.540 1.00 0.00 H new ATOM 945 N ASP A 64 -4.400 1.696 5.202 1.00 0.00 N ATOM 946 CA ASP A 64 -4.867 0.575 6.000 1.00 0.00 C ATOM 947 C ASP A 64 -5.351 -0.540 5.071 1.00 0.00 C ATOM 948 O ASP A 64 -5.133 -0.484 3.862 1.00 0.00 O ATOM 949 CB ASP A 64 -6.039 0.986 6.894 1.00 0.00 C ATOM 950 CG ASP A 64 -5.771 2.191 7.798 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.906 2.051 8.690 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.436 3.226 7.577 1.00 0.00 O ATOM 0 H ASP A 64 -5.130 2.183 4.683 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.039 0.236 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.898 1.209 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.315 0.137 7.519 1.00 0.00 H new ATOM 957 N PHE A 65 -5.997 -1.528 5.672 1.00 0.00 N ATOM 958 CA PHE A 65 -6.513 -2.656 4.914 1.00 0.00 C ATOM 959 C PHE A 65 -7.802 -2.279 4.180 1.00 0.00 C ATOM 960 O PHE A 65 -7.970 -2.606 3.006 1.00 0.00 O ATOM 961 CB PHE A 65 -6.819 -3.768 5.918 1.00 0.00 C ATOM 962 CG PHE A 65 -7.264 -5.083 5.275 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.661 -5.521 4.137 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.262 -5.814 5.840 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.074 -6.741 3.539 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.674 -7.034 5.243 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.071 -7.472 4.105 1.00 0.00 C ATOM 0 H PHE A 65 -6.175 -1.571 6.675 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.781 -2.970 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.930 -3.953 6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.600 -3.425 6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.868 -4.941 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.741 -5.466 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.596 -7.088 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.466 -7.615 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.384 -8.401 3.651 1.00 0.00 H new ATOM 977 N PRO A 66 -8.701 -1.578 4.921 1.00 0.00 N ATOM 978 CA PRO A 66 -9.969 -1.153 4.353 1.00 0.00 C ATOM 979 C PRO A 66 -9.776 0.031 3.404 1.00 0.00 C ATOM 980 O PRO A 66 -10.688 0.392 2.661 1.00 0.00 O ATOM 981 CB PRO A 66 -10.844 -0.818 5.550 1.00 0.00 C ATOM 982 CG PRO A 66 -9.893 -0.622 6.719 1.00 0.00 C ATOM 983 CD PRO A 66 -8.535 -1.172 6.313 1.00 0.00 C ATOM 0 HA PRO A 66 -10.434 -1.925 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.428 0.084 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.552 -1.621 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.816 0.435 6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.265 -1.138 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.755 -0.417 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.246 -2.016 6.940 1.00 0.00 H new ATOM 991 N GLU A 67 -8.582 0.604 3.459 1.00 0.00 N ATOM 992 CA GLU A 67 -8.258 1.740 2.614 1.00 0.00 C ATOM 993 C GLU A 67 -7.519 1.273 1.358 1.00 0.00 C ATOM 994 O GLU A 67 -7.518 1.965 0.340 1.00 0.00 O ATOM 995 CB GLU A 67 -7.434 2.777 3.381 1.00 0.00 C ATOM 996 CG GLU A 67 -7.927 2.911 4.823 1.00 0.00 C ATOM 997 CD GLU A 67 -8.899 4.084 4.963 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.096 3.867 4.674 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.424 5.172 5.355 1.00 0.00 O ATOM 0 H GLU A 67 -7.828 0.302 4.076 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.189 2.218 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.383 2.487 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.500 3.742 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.419 1.988 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.077 3.057 5.490 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.908 0.103 1.470 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.167 -0.464 0.356 1.00 0.00 C ATOM 1008 C PHE A 68 -7.031 -1.452 -0.430 1.00 0.00 C ATOM 1009 O PHE A 68 -6.854 -1.614 -1.637 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.970 -1.211 0.949 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.560 -2.455 0.159 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.274 -3.606 0.283 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.481 -2.411 -0.668 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.894 -4.761 -0.450 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.100 -3.566 -1.401 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.815 -4.716 -1.276 1.00 0.00 C ATOM 0 H PHE A 68 -6.911 -0.468 2.315 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.856 0.328 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.120 -0.531 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.208 -1.504 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.131 -3.641 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.914 -1.497 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.462 -5.675 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.243 -3.531 -2.057 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.525 -5.595 -1.833 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.947 -2.087 0.285 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.839 -3.055 -0.331 1.00 0.00 C ATOM 1028 C LEU A 69 -9.424 -2.460 -1.613 1.00 0.00 C ATOM 1029 O LEU A 69 -9.752 -3.189 -2.547 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.899 -3.520 0.670 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.472 -4.633 1.630 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.311 -4.606 2.909 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.519 -5.999 0.942 1.00 0.00 C ATOM 0 H LEU A 69 -8.091 -1.950 1.285 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.289 -3.951 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.215 -2.660 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.771 -3.862 0.113 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.437 -4.455 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.987 -5.407 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.182 -3.646 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.362 -4.746 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.211 -6.772 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.535 -6.201 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.844 -5.999 0.086 1.00 0.00 H new ATOM 1045 N THR A 70 -9.537 -1.139 -1.616 1.00 0.00 N ATOM 1046 CA THR A 70 -10.077 -0.437 -2.768 1.00 0.00 C ATOM 1047 C THR A 70 -9.090 -0.491 -3.936 1.00 0.00 C ATOM 1048 O THR A 70 -9.496 -0.598 -5.092 1.00 0.00 O ATOM 1049 CB THR A 70 -10.426 0.987 -2.333 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.450 1.726 -3.551 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.307 1.642 -1.521 1.00 0.00 C ATOM 0 H THR A 70 -9.264 -0.537 -0.839 1.00 0.00 H new ATOM 0 HA THR A 70 -10.988 -0.914 -3.131 1.00 0.00 H new ATOM 0 HB THR A 70 -11.342 0.972 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.670 2.662 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.606 2.651 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.117 1.054 -0.623 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.400 1.688 -2.123 1.00 0.00 H new ATOM 1059 N MET A 71 -7.812 -0.414 -3.593 1.00 0.00 N ATOM 1060 CA MET A 71 -6.764 -0.452 -4.599 1.00 0.00 C ATOM 1061 C MET A 71 -6.849 -1.733 -5.431 1.00 0.00 C ATOM 1062 O MET A 71 -6.834 -1.682 -6.660 1.00 0.00 O ATOM 1063 CB MET A 71 -5.397 -0.378 -3.915 1.00 0.00 C ATOM 1064 CG MET A 71 -4.604 0.835 -4.406 1.00 0.00 C ATOM 1065 SD MET A 71 -3.100 0.298 -5.203 1.00 0.00 S ATOM 1066 CE MET A 71 -1.897 0.886 -4.023 1.00 0.00 C ATOM 0 H MET A 71 -7.479 -0.326 -2.633 1.00 0.00 H new ATOM 0 HA MET A 71 -6.894 0.401 -5.265 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.530 -0.318 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.835 -1.290 -4.117 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.207 1.416 -5.103 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.367 1.489 -3.567 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.895 0.632 -4.368 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.984 1.968 -3.924 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.077 0.417 -3.056 1.00 0.00 H new ATOM 1076 N MET A 72 -6.937 -2.853 -4.728 1.00 0.00 N ATOM 1077 CA MET A 72 -7.025 -4.145 -5.387 1.00 0.00 C ATOM 1078 C MET A 72 -8.259 -4.219 -6.287 1.00 0.00 C ATOM 1079 O MET A 72 -8.190 -4.736 -7.401 1.00 0.00 O ATOM 1080 CB MET A 72 -7.094 -5.252 -4.333 1.00 0.00 C ATOM 1081 CG MET A 72 -5.796 -5.324 -3.527 1.00 0.00 C ATOM 1082 SD MET A 72 -4.941 -6.850 -3.881 1.00 0.00 S ATOM 1083 CE MET A 72 -3.543 -6.217 -4.794 1.00 0.00 C ATOM 0 H MET A 72 -6.949 -2.892 -3.709 1.00 0.00 H new ATOM 0 HA MET A 72 -6.138 -4.276 -6.007 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.933 -5.068 -3.662 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.278 -6.210 -4.819 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.158 -4.475 -3.773 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.016 -5.260 -2.461 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.900 -7.044 -5.094 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.896 -5.691 -5.681 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.979 -5.529 -4.165 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.361 -3.694 -5.771 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.609 -3.694 -6.514 1.00 0.00 C ATOM 1095 C ALA A 73 -10.435 -2.876 -7.796 1.00 0.00 C ATOM 1096 O ALA A 73 -10.846 -3.308 -8.872 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.732 -3.153 -5.627 1.00 0.00 C ATOM 0 H ALA A 73 -9.415 -3.266 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.882 -4.709 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.668 -3.153 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.835 -3.785 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.494 -2.135 -5.318 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.824 -1.711 -7.639 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.590 -0.830 -8.770 1.00 0.00 C ATOM 1105 C ARG A 74 -8.099 -0.788 -9.110 1.00 0.00 C ATOM 1106 O ARG A 74 -7.482 0.276 -9.084 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.078 0.589 -8.473 1.00 0.00 C ATOM 1108 CG ARG A 74 -11.607 0.647 -8.441 1.00 0.00 C ATOM 1109 CD ARG A 74 -12.123 0.730 -7.003 1.00 0.00 C ATOM 1110 NE ARG A 74 -11.789 2.050 -6.421 1.00 0.00 N ATOM 1111 CZ ARG A 74 -12.541 3.148 -6.570 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -13.674 3.093 -7.283 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -12.160 4.303 -6.006 1.00 0.00 N ATOM 0 H ARG A 74 -9.484 -1.357 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.149 -1.224 -9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.678 0.922 -7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.700 1.274 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.953 1.512 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.018 -0.237 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.202 0.578 -6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.680 -0.064 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.933 2.128 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.964 2.215 -7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.246 3.930 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.297 4.345 -5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.733 5.139 -6.120 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.562 -1.959 -9.421 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.155 -2.069 -9.767 1.00 0.00 C ATOM 1129 C LYS A 75 -5.758 -0.887 -10.654 1.00 0.00 C ATOM 1130 O LYS A 75 -6.545 -0.438 -11.485 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.862 -3.434 -10.393 1.00 0.00 C ATOM 1132 CG LYS A 75 -4.788 -4.182 -9.600 1.00 0.00 C ATOM 1133 CD LYS A 75 -3.406 -3.978 -10.223 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.182 -4.945 -11.388 1.00 0.00 C ATOM 1135 NZ LYS A 75 -2.978 -6.323 -10.886 1.00 0.00 N ATOM 1136 OXT LYS A 75 -4.537 -0.417 -10.446 1.00 0.00 O ATOM 0 H LYS A 75 -8.076 -2.840 -9.441 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.537 -2.016 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.776 -4.028 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.532 -3.302 -11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.781 -3.830 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.025 -5.245 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.310 -2.951 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.636 -4.130 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.040 -4.920 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.314 -4.631 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.503 -6.892 -11.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.388 -6.297 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.899 -6.750 -10.659 1.00 0.00 H new