USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 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 (180deg=0) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= -0.0137 (180deg=-0.0137) USER MOD Set 2.1: A 28 THR OG1 : rot -135:sc= -0.116! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 8 GLN : amide:sc= -0.75 X(o=-0.75,f=-1.2) 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= -1.21 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 100:sc= 0.889 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.701 X(o=-0.7,f=-0.64!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.47) USER MOD Single : A 53 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= -3.45! C(o=-3.5!,f=-5.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 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 150:sc= -0.0312 (180deg=-0.202) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -0.0755 (180deg=-0.666) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -15.229 -13.409 2.940 1.00 0.00 N ATOM 106 CA GLU A 7 -14.187 -14.421 2.973 1.00 0.00 C ATOM 107 C GLU A 7 -13.061 -14.056 2.003 1.00 0.00 C ATOM 108 O GLU A 7 -11.886 -14.109 2.362 1.00 0.00 O ATOM 109 CB GLU A 7 -14.756 -15.805 2.657 1.00 0.00 C ATOM 110 CG GLU A 7 -15.756 -16.245 3.728 1.00 0.00 C ATOM 111 CD GLU A 7 -15.287 -17.524 4.424 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.284 -18.572 3.743 1.00 0.00 O ATOM 113 OE2 GLU A 7 -14.942 -17.425 5.622 1.00 0.00 O ATOM 0 HA GLU A 7 -13.774 -14.456 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.245 -15.787 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.944 -16.530 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.879 -15.450 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.732 -16.412 3.273 1.00 0.00 H new ATOM 120 N GLN A 8 -13.461 -13.692 0.793 1.00 0.00 N ATOM 121 CA GLN A 8 -12.501 -13.319 -0.231 1.00 0.00 C ATOM 122 C GLN A 8 -11.483 -12.325 0.332 1.00 0.00 C ATOM 123 O GLN A 8 -10.290 -12.426 0.051 1.00 0.00 O ATOM 124 CB GLN A 8 -13.207 -12.743 -1.460 1.00 0.00 C ATOM 125 CG GLN A 8 -12.613 -13.312 -2.751 1.00 0.00 C ATOM 126 CD GLN A 8 -12.697 -14.840 -2.766 1.00 0.00 C ATOM 127 OE1 GLN A 8 -11.704 -15.541 -2.871 1.00 0.00 O ATOM 128 NE2 GLN A 8 -13.934 -15.314 -2.655 1.00 0.00 N ATOM 0 H GLN A 8 -14.437 -13.648 0.499 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.968 -14.216 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.272 -12.973 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.115 -11.657 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.146 -12.906 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.573 -13.000 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.721 -14.671 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.096 -16.321 -2.654 1.00 0.00 H new ATOM 137 N ILE A 9 -11.992 -11.387 1.117 1.00 0.00 N ATOM 138 CA ILE A 9 -11.143 -10.375 1.723 1.00 0.00 C ATOM 139 C ILE A 9 -10.018 -11.060 2.502 1.00 0.00 C ATOM 140 O ILE A 9 -8.847 -10.728 2.329 1.00 0.00 O ATOM 141 CB ILE A 9 -11.977 -9.410 2.567 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.603 -7.957 2.269 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.856 -9.739 4.057 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.605 -7.319 1.305 1.00 0.00 C ATOM 0 H ILE A 9 -12.982 -11.306 1.348 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.672 -9.762 0.954 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.025 -9.535 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.574 -7.388 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.602 -7.916 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.459 -9.038 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.210 -10.754 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.813 -9.659 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.316 -6.286 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.614 -7.876 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.600 -7.339 1.749 1.00 0.00 H new ATOM 156 N ALA A 10 -10.414 -12.003 3.344 1.00 0.00 N ATOM 157 CA ALA A 10 -9.454 -12.737 4.151 1.00 0.00 C ATOM 158 C ALA A 10 -8.217 -13.048 3.307 1.00 0.00 C ATOM 159 O ALA A 10 -7.095 -13.029 3.812 1.00 0.00 O ATOM 160 CB ALA A 10 -10.114 -14.002 4.705 1.00 0.00 C ATOM 0 H ALA A 10 -11.387 -12.276 3.485 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.131 -12.138 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.394 -14.553 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.970 -13.726 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.449 -14.629 3.879 1.00 0.00 H new ATOM 166 N GLU A 11 -8.462 -13.326 2.035 1.00 0.00 N ATOM 167 CA GLU A 11 -7.381 -13.640 1.116 1.00 0.00 C ATOM 168 C GLU A 11 -6.553 -12.388 0.823 1.00 0.00 C ATOM 169 O GLU A 11 -5.325 -12.423 0.884 1.00 0.00 O ATOM 170 CB GLU A 11 -7.922 -14.254 -0.177 1.00 0.00 C ATOM 171 CG GLU A 11 -8.730 -15.521 0.113 1.00 0.00 C ATOM 172 CD GLU A 11 -9.354 -16.079 -1.167 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.975 -15.578 -2.248 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.196 -16.994 -1.037 1.00 0.00 O ATOM 0 H GLU A 11 -9.393 -13.340 1.619 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.733 -14.379 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.550 -13.528 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.094 -14.491 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.083 -16.273 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.514 -15.299 0.837 1.00 0.00 H new ATOM 181 N PHE A 12 -7.258 -11.310 0.512 1.00 0.00 N ATOM 182 CA PHE A 12 -6.603 -10.049 0.209 1.00 0.00 C ATOM 183 C PHE A 12 -5.650 -9.642 1.335 1.00 0.00 C ATOM 184 O PHE A 12 -4.614 -9.028 1.085 1.00 0.00 O ATOM 185 CB PHE A 12 -7.702 -8.993 0.082 1.00 0.00 C ATOM 186 CG PHE A 12 -8.355 -8.938 -1.300 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.186 -9.937 -1.701 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.105 -7.889 -2.129 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.792 -9.886 -2.984 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.710 -7.838 -3.413 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.541 -8.838 -3.813 1.00 0.00 C ATOM 0 H PHE A 12 -8.277 -11.284 0.463 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.021 -10.143 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.471 -9.192 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.280 -8.015 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.385 -10.770 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.446 -7.095 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.452 -10.680 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.510 -7.006 -4.072 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.001 -8.799 -4.789 1.00 0.00 H new ATOM 201 N LYS A 13 -6.034 -10.002 2.551 1.00 0.00 N ATOM 202 CA LYS A 13 -5.227 -9.682 3.716 1.00 0.00 C ATOM 203 C LYS A 13 -3.748 -9.887 3.379 1.00 0.00 C ATOM 204 O LYS A 13 -2.944 -8.966 3.513 1.00 0.00 O ATOM 205 CB LYS A 13 -5.697 -10.485 4.931 1.00 0.00 C ATOM 206 CG LYS A 13 -7.077 -10.016 5.398 1.00 0.00 C ATOM 207 CD LYS A 13 -7.330 -10.419 6.851 1.00 0.00 C ATOM 208 CE LYS A 13 -7.742 -11.890 6.948 1.00 0.00 C ATOM 209 NZ LYS A 13 -7.153 -12.515 8.154 1.00 0.00 N ATOM 0 H LYS A 13 -6.893 -10.512 2.755 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.351 -8.634 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.735 -11.545 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.978 -10.377 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.150 -8.933 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.847 -10.447 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.429 -10.250 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.112 -9.790 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.829 -11.968 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.414 -12.425 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.442 -13.513 8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.116 -12.458 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.486 -12.014 9.002 1.00 0.00 H new ATOM 223 N GLU A 14 -3.435 -11.100 2.948 1.00 0.00 N ATOM 224 CA GLU A 14 -2.068 -11.437 2.590 1.00 0.00 C ATOM 225 C GLU A 14 -1.517 -10.424 1.585 1.00 0.00 C ATOM 226 O GLU A 14 -0.361 -10.015 1.681 1.00 0.00 O ATOM 227 CB GLU A 14 -1.981 -12.861 2.037 1.00 0.00 C ATOM 228 CG GLU A 14 -2.379 -13.888 3.099 1.00 0.00 C ATOM 229 CD GLU A 14 -1.614 -15.199 2.909 1.00 0.00 C ATOM 230 OE1 GLU A 14 -2.068 -16.004 2.067 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.592 -15.366 3.609 1.00 0.00 O ATOM 0 H GLU A 14 -4.105 -11.862 2.839 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.456 -11.394 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.634 -12.958 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.965 -13.061 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.178 -13.486 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.451 -14.077 3.043 1.00 0.00 H new ATOM 238 N ALA A 15 -2.370 -10.048 0.644 1.00 0.00 N ATOM 239 CA ALA A 15 -1.983 -9.090 -0.378 1.00 0.00 C ATOM 240 C ALA A 15 -1.417 -7.836 0.293 1.00 0.00 C ATOM 241 O ALA A 15 -0.293 -7.428 0.005 1.00 0.00 O ATOM 242 CB ALA A 15 -3.186 -8.781 -1.270 1.00 0.00 C ATOM 0 H ALA A 15 -3.328 -10.389 0.568 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.202 -9.504 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.896 -8.062 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.532 -9.699 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.989 -8.361 -0.665 1.00 0.00 H new ATOM 248 N PHE A 16 -2.222 -7.261 1.174 1.00 0.00 N ATOM 249 CA PHE A 16 -1.816 -6.062 1.887 1.00 0.00 C ATOM 250 C PHE A 16 -0.395 -6.206 2.437 1.00 0.00 C ATOM 251 O PHE A 16 0.353 -5.232 2.496 1.00 0.00 O ATOM 252 CB PHE A 16 -2.786 -5.887 3.057 1.00 0.00 C ATOM 253 CG PHE A 16 -2.646 -4.550 3.787 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.185 -3.422 3.251 1.00 0.00 C ATOM 255 CD2 PHE A 16 -1.982 -4.489 4.972 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.055 -2.181 3.929 1.00 0.00 C ATOM 257 CE2 PHE A 16 -1.851 -3.248 5.650 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.390 -2.120 5.114 1.00 0.00 C ATOM 0 H PHE A 16 -3.153 -7.603 1.410 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.832 -5.205 1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.807 -5.982 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.629 -6.697 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.712 -3.470 2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.554 -5.385 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.484 -1.286 3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.323 -3.200 6.591 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.290 -1.176 5.629 1.00 0.00 H new ATOM 268 N SER A 17 -0.066 -7.430 2.824 1.00 0.00 N ATOM 269 CA SER A 17 1.252 -7.714 3.367 1.00 0.00 C ATOM 270 C SER A 17 2.332 -7.271 2.377 1.00 0.00 C ATOM 271 O SER A 17 3.232 -6.512 2.734 1.00 0.00 O ATOM 272 CB SER A 17 1.406 -9.202 3.689 1.00 0.00 C ATOM 273 OG SER A 17 2.321 -9.424 4.758 1.00 0.00 O ATOM 0 H SER A 17 -0.689 -8.236 2.772 1.00 0.00 H new ATOM 0 HA SER A 17 1.367 -7.155 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.434 -9.619 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.751 -9.732 2.801 1.00 0.00 H new ATOM 0 HG SER A 17 2.391 -10.385 4.935 1.00 0.00 H new ATOM 279 N LEU A 18 2.206 -7.764 1.154 1.00 0.00 N ATOM 280 CA LEU A 18 3.160 -7.428 0.111 1.00 0.00 C ATOM 281 C LEU A 18 3.563 -5.959 0.247 1.00 0.00 C ATOM 282 O LEU A 18 4.748 -5.642 0.335 1.00 0.00 O ATOM 283 CB LEU A 18 2.597 -7.786 -1.266 1.00 0.00 C ATOM 284 CG LEU A 18 3.220 -9.004 -1.950 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.390 -10.263 -1.692 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.424 -8.749 -3.445 1.00 0.00 C ATOM 0 H LEU A 18 1.458 -8.393 0.862 1.00 0.00 H new ATOM 0 HA LEU A 18 4.069 -8.019 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.526 -7.960 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.719 -6.924 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 18 4.205 -9.173 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.855 -11.114 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.340 -10.452 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.382 -10.121 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.868 -9.631 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.462 -8.540 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.087 -7.895 -3.581 1.00 0.00 H new ATOM 298 N PHE A 19 2.554 -5.100 0.261 1.00 0.00 N ATOM 299 CA PHE A 19 2.788 -3.672 0.386 1.00 0.00 C ATOM 300 C PHE A 19 3.257 -3.314 1.798 1.00 0.00 C ATOM 301 O PHE A 19 4.239 -2.592 1.965 1.00 0.00 O ATOM 302 CB PHE A 19 1.454 -2.974 0.112 1.00 0.00 C ATOM 303 CG PHE A 19 1.049 -2.962 -1.364 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.501 -1.976 -2.184 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.239 -3.938 -1.854 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.125 -1.965 -3.554 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.137 -3.926 -3.224 1.00 0.00 C ATOM 308 CZ PHE A 19 0.315 -2.940 -4.045 1.00 0.00 C ATOM 0 H PHE A 19 1.572 -5.366 0.188 1.00 0.00 H new ATOM 0 HA PHE A 19 3.562 -3.360 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.672 -3.468 0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.513 -1.946 0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.145 -1.202 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.118 -4.722 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.483 -1.182 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.782 -4.700 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.030 -2.932 -5.087 1.00 0.00 H new ATOM 318 N ASP A 20 2.532 -3.835 2.777 1.00 0.00 N ATOM 319 CA ASP A 20 2.861 -3.580 4.169 1.00 0.00 C ATOM 320 C ASP A 20 3.969 -4.538 4.611 1.00 0.00 C ATOM 321 O ASP A 20 3.695 -5.676 4.989 1.00 0.00 O ATOM 322 CB ASP A 20 1.648 -3.809 5.073 1.00 0.00 C ATOM 323 CG ASP A 20 1.946 -3.781 6.573 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.063 -3.343 6.922 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.049 -4.197 7.338 1.00 0.00 O ATOM 0 H ASP A 20 1.718 -4.433 2.634 1.00 0.00 H new ATOM 0 HA ASP A 20 3.183 -2.542 4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.900 -3.048 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.205 -4.773 4.824 1.00 0.00 H new ATOM 330 N LYS A 21 5.196 -4.043 4.549 1.00 0.00 N ATOM 331 CA LYS A 21 6.346 -4.841 4.938 1.00 0.00 C ATOM 332 C LYS A 21 6.294 -5.103 6.444 1.00 0.00 C ATOM 333 O LYS A 21 6.231 -6.253 6.876 1.00 0.00 O ATOM 334 CB LYS A 21 7.643 -4.175 4.474 1.00 0.00 C ATOM 335 CG LYS A 21 8.815 -5.157 4.530 1.00 0.00 C ATOM 336 CD LYS A 21 9.583 -5.020 5.846 1.00 0.00 C ATOM 337 CE LYS A 21 10.687 -6.074 5.949 1.00 0.00 C ATOM 338 NZ LYS A 21 12.013 -5.460 5.716 1.00 0.00 N ATOM 0 H LYS A 21 5.419 -3.099 4.235 1.00 0.00 H new ATOM 0 HA LYS A 21 6.320 -5.812 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.522 -3.806 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.858 -3.311 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.445 -6.177 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.487 -4.974 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.019 -4.023 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.895 -5.125 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.663 -6.539 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.512 -6.865 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.751 -6.189 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.038 -5.037 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.184 -4.722 6.428 1.00 0.00 H new ATOM 352 N ASP A 22 6.321 -4.017 7.202 1.00 0.00 N ATOM 353 CA ASP A 22 6.278 -4.114 8.651 1.00 0.00 C ATOM 354 C ASP A 22 5.124 -5.031 9.062 1.00 0.00 C ATOM 355 O ASP A 22 5.119 -5.573 10.166 1.00 0.00 O ATOM 356 CB ASP A 22 6.043 -2.743 9.289 1.00 0.00 C ATOM 357 CG ASP A 22 6.960 -1.629 8.783 1.00 0.00 C ATOM 358 OD1 ASP A 22 8.191 -1.809 8.903 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.410 -0.622 8.286 1.00 0.00 O ATOM 0 H ASP A 22 6.372 -3.065 6.840 1.00 0.00 H new ATOM 0 HA ASP A 22 7.235 -4.510 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.008 -2.449 9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.169 -2.835 10.368 1.00 0.00 H new ATOM 364 N GLY A 23 4.172 -5.176 8.151 1.00 0.00 N ATOM 365 CA GLY A 23 3.015 -6.018 8.405 1.00 0.00 C ATOM 366 C GLY A 23 2.308 -5.602 9.696 1.00 0.00 C ATOM 367 O GLY A 23 1.535 -6.375 10.261 1.00 0.00 O ATOM 0 H GLY A 23 4.178 -4.725 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.320 -5.950 7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.327 -7.060 8.477 1.00 0.00 H new ATOM 371 N ASP A 24 2.597 -4.382 10.126 1.00 0.00 N ATOM 372 CA ASP A 24 1.998 -3.855 11.340 1.00 0.00 C ATOM 373 C ASP A 24 0.483 -3.748 11.151 1.00 0.00 C ATOM 374 O ASP A 24 -0.269 -3.756 12.124 1.00 0.00 O ATOM 375 CB ASP A 24 2.534 -2.458 11.657 1.00 0.00 C ATOM 376 CG ASP A 24 2.441 -1.453 10.507 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.807 -1.811 9.491 1.00 0.00 O ATOM 378 OD2 ASP A 24 3.006 -0.350 10.670 1.00 0.00 O ATOM 0 H ASP A 24 3.238 -3.744 9.655 1.00 0.00 H new ATOM 0 HA ASP A 24 2.245 -4.531 12.159 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.987 -2.061 12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.578 -2.546 11.959 1.00 0.00 H new ATOM 383 N GLY A 25 0.081 -3.650 9.893 1.00 0.00 N ATOM 384 CA GLY A 25 -1.330 -3.542 9.564 1.00 0.00 C ATOM 385 C GLY A 25 -1.620 -2.241 8.813 1.00 0.00 C ATOM 386 O GLY A 25 -2.779 -1.888 8.600 1.00 0.00 O ATOM 0 H GLY A 25 0.708 -3.643 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.631 -4.393 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.924 -3.579 10.477 1.00 0.00 H new ATOM 390 N THR A 26 -0.547 -1.564 8.431 1.00 0.00 N ATOM 391 CA THR A 26 -0.671 -0.311 7.707 1.00 0.00 C ATOM 392 C THR A 26 0.349 -0.248 6.569 1.00 0.00 C ATOM 393 O THR A 26 1.316 -1.008 6.555 1.00 0.00 O ATOM 394 CB THR A 26 -0.529 0.832 8.714 1.00 0.00 C ATOM 395 OG1 THR A 26 0.491 0.387 9.604 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.763 0.983 9.607 1.00 0.00 C ATOM 0 H THR A 26 0.413 -1.860 8.610 1.00 0.00 H new ATOM 0 HA THR A 26 -1.647 -0.225 7.230 1.00 0.00 H new ATOM 0 HB THR A 26 -0.351 1.765 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.648 1.070 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.610 1.808 10.303 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.637 1.188 8.988 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.922 0.061 10.166 1.00 0.00 H new ATOM 404 N ILE A 27 0.099 0.666 5.643 1.00 0.00 N ATOM 405 CA ILE A 27 0.984 0.838 4.503 1.00 0.00 C ATOM 406 C ILE A 27 1.315 2.322 4.339 1.00 0.00 C ATOM 407 O ILE A 27 0.429 3.135 4.080 1.00 0.00 O ATOM 408 CB ILE A 27 0.376 0.201 3.251 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.174 -1.303 3.444 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.219 0.513 2.013 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.738 -1.877 2.358 1.00 0.00 C ATOM 0 H ILE A 27 -0.704 1.295 5.659 1.00 0.00 H new ATOM 0 HA ILE A 27 1.927 0.318 4.671 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.609 0.639 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.139 -1.809 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.260 -1.492 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.765 0.049 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.267 1.592 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.227 0.121 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.865 -2.948 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.710 -1.385 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.289 -1.707 1.379 1.00 0.00 H new ATOM 423 N THR A 28 2.594 2.632 4.497 1.00 0.00 N ATOM 424 CA THR A 28 3.053 4.004 4.370 1.00 0.00 C ATOM 425 C THR A 28 3.514 4.282 2.937 1.00 0.00 C ATOM 426 O THR A 28 3.036 3.653 1.995 1.00 0.00 O ATOM 427 CB THR A 28 4.145 4.236 5.415 1.00 0.00 C ATOM 428 OG1 THR A 28 4.590 5.567 5.164 1.00 0.00 O ATOM 429 CG2 THR A 28 5.386 3.376 5.167 1.00 0.00 C ATOM 0 H THR A 28 3.327 1.956 4.712 1.00 0.00 H new ATOM 0 HA THR A 28 2.245 4.710 4.561 1.00 0.00 H new ATOM 0 HB THR A 28 3.748 4.022 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.570 5.593 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.130 3.580 5.937 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.110 2.322 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.803 3.613 4.188 1.00 0.00 H new ATOM 437 N THR A 29 4.438 5.225 2.819 1.00 0.00 N ATOM 438 CA THR A 29 4.969 5.593 1.518 1.00 0.00 C ATOM 439 C THR A 29 6.192 4.739 1.180 1.00 0.00 C ATOM 440 O THR A 29 6.371 4.331 0.034 1.00 0.00 O ATOM 441 CB THR A 29 5.262 7.095 1.535 1.00 0.00 C ATOM 442 OG1 THR A 29 5.802 7.328 2.833 1.00 0.00 O ATOM 443 CG2 THR A 29 3.987 7.941 1.504 1.00 0.00 C ATOM 0 H THR A 29 4.832 5.745 3.603 1.00 0.00 H new ATOM 0 HA THR A 29 4.246 5.397 0.726 1.00 0.00 H new ATOM 0 HB THR A 29 5.889 7.352 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.022 8.278 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.251 8.998 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.425 7.719 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.375 7.709 2.376 1.00 0.00 H new ATOM 451 N LYS A 30 7.003 4.495 2.199 1.00 0.00 N ATOM 452 CA LYS A 30 8.204 3.696 2.024 1.00 0.00 C ATOM 453 C LYS A 30 7.812 2.237 1.782 1.00 0.00 C ATOM 454 O LYS A 30 8.567 1.480 1.175 1.00 0.00 O ATOM 455 CB LYS A 30 9.153 3.890 3.209 1.00 0.00 C ATOM 456 CG LYS A 30 10.489 4.478 2.751 1.00 0.00 C ATOM 457 CD LYS A 30 11.148 5.283 3.873 1.00 0.00 C ATOM 458 CE LYS A 30 12.614 4.881 4.048 1.00 0.00 C ATOM 459 NZ LYS A 30 13.317 5.853 4.915 1.00 0.00 N ATOM 0 H LYS A 30 6.852 4.836 3.148 1.00 0.00 H new ATOM 0 HA LYS A 30 8.756 4.027 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.693 4.551 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.323 2.934 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.155 3.675 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.330 5.119 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.083 6.348 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.609 5.121 4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.674 3.884 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.103 4.832 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.311 5.566 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.275 6.798 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.860 5.879 5.849 1.00 0.00 H new ATOM 473 N GLU A 31 6.631 1.887 2.270 1.00 0.00 N ATOM 474 CA GLU A 31 6.129 0.533 2.115 1.00 0.00 C ATOM 475 C GLU A 31 5.296 0.419 0.836 1.00 0.00 C ATOM 476 O GLU A 31 4.977 -0.685 0.396 1.00 0.00 O ATOM 477 CB GLU A 31 5.315 0.106 3.338 1.00 0.00 C ATOM 478 CG GLU A 31 6.190 0.069 4.593 1.00 0.00 C ATOM 479 CD GLU A 31 5.361 -0.280 5.830 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.813 0.669 6.432 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.293 -1.487 6.146 1.00 0.00 O ATOM 0 H GLU A 31 6.007 2.518 2.773 1.00 0.00 H new ATOM 0 HA GLU A 31 6.981 -0.142 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.487 0.799 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.880 -0.878 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.985 -0.666 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.670 1.037 4.734 1.00 0.00 H new ATOM 488 N LEU A 32 4.968 1.574 0.276 1.00 0.00 N ATOM 489 CA LEU A 32 4.179 1.617 -0.943 1.00 0.00 C ATOM 490 C LEU A 32 5.117 1.698 -2.150 1.00 0.00 C ATOM 491 O LEU A 32 4.849 1.098 -3.189 1.00 0.00 O ATOM 492 CB LEU A 32 3.159 2.756 -0.880 1.00 0.00 C ATOM 493 CG LEU A 32 2.027 2.699 -1.909 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.745 2.148 -1.283 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.807 4.067 -2.557 1.00 0.00 C ATOM 0 H LEU A 32 5.234 2.487 0.644 1.00 0.00 H new ATOM 0 HA LEU A 32 3.596 0.703 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.718 2.767 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.690 3.700 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 32 2.319 2.010 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.043 2.118 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.927 1.141 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.436 2.792 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.998 3.999 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.545 4.795 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.721 4.383 -3.060 1.00 0.00 H new ATOM 507 N GLY A 33 6.197 2.444 -1.971 1.00 0.00 N ATOM 508 CA GLY A 33 7.176 2.610 -3.032 1.00 0.00 C ATOM 509 C GLY A 33 8.165 1.443 -3.053 1.00 0.00 C ATOM 510 O GLY A 33 9.005 1.353 -3.947 1.00 0.00 O ATOM 0 H GLY A 33 6.416 2.940 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.667 2.678 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.716 3.546 -2.890 1.00 0.00 H new ATOM 514 N THR A 34 8.034 0.579 -2.057 1.00 0.00 N ATOM 515 CA THR A 34 8.906 -0.578 -1.950 1.00 0.00 C ATOM 516 C THR A 34 8.485 -1.657 -2.948 1.00 0.00 C ATOM 517 O THR A 34 9.230 -1.977 -3.873 1.00 0.00 O ATOM 518 CB THR A 34 8.884 -1.053 -0.496 1.00 0.00 C ATOM 519 OG1 THR A 34 10.087 -0.529 0.059 1.00 0.00 O ATOM 520 CG2 THR A 34 9.047 -2.570 -0.373 1.00 0.00 C ATOM 0 H THR A 34 7.337 0.657 -1.317 1.00 0.00 H new ATOM 0 HA THR A 34 9.934 -0.324 -2.209 1.00 0.00 H new ATOM 0 HB THR A 34 7.947 -0.749 -0.029 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.885 0.280 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.024 -2.854 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.233 -3.067 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.000 -2.870 -0.810 1.00 0.00 H new ATOM 528 N VAL A 35 7.292 -2.190 -2.728 1.00 0.00 N ATOM 529 CA VAL A 35 6.762 -3.227 -3.597 1.00 0.00 C ATOM 530 C VAL A 35 6.986 -2.826 -5.056 1.00 0.00 C ATOM 531 O VAL A 35 7.089 -3.685 -5.931 1.00 0.00 O ATOM 532 CB VAL A 35 5.291 -3.486 -3.267 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.523 -3.944 -4.508 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.155 -4.502 -2.131 1.00 0.00 C ATOM 0 H VAL A 35 6.677 -1.923 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 35 7.288 -4.168 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 35 4.853 -2.547 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.480 -4.121 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.578 -3.172 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.963 -4.866 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.099 -4.668 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.618 -5.443 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.651 -4.119 -1.239 1.00 0.00 H new ATOM 544 N MET A 36 7.054 -1.521 -5.275 1.00 0.00 N ATOM 545 CA MET A 36 7.263 -0.996 -6.613 1.00 0.00 C ATOM 546 C MET A 36 8.693 -1.261 -7.089 1.00 0.00 C ATOM 547 O MET A 36 8.909 -1.630 -8.242 1.00 0.00 O ATOM 548 CB MET A 36 6.994 0.510 -6.619 1.00 0.00 C ATOM 549 CG MET A 36 5.558 0.812 -6.187 1.00 0.00 C ATOM 550 SD MET A 36 4.728 1.765 -7.448 1.00 0.00 S ATOM 551 CE MET A 36 3.063 1.747 -6.805 1.00 0.00 C ATOM 0 H MET A 36 6.968 -0.811 -4.547 1.00 0.00 H new ATOM 0 HA MET A 36 6.575 -1.500 -7.292 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.692 1.010 -5.948 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.169 0.910 -7.618 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.020 -0.119 -6.010 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.561 1.363 -5.246 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.408 2.302 -7.476 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.714 0.717 -6.727 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.049 2.211 -5.819 1.00 0.00 H new ATOM 561 N ARG A 37 9.632 -1.064 -6.176 1.00 0.00 N ATOM 562 CA ARG A 37 11.036 -1.277 -6.487 1.00 0.00 C ATOM 563 C ARG A 37 11.309 -2.765 -6.711 1.00 0.00 C ATOM 564 O ARG A 37 12.039 -3.135 -7.630 1.00 0.00 O ATOM 565 CB ARG A 37 11.934 -0.763 -5.360 1.00 0.00 C ATOM 566 CG ARG A 37 12.186 0.739 -5.501 1.00 0.00 C ATOM 567 CD ARG A 37 11.956 1.460 -4.171 1.00 0.00 C ATOM 568 NE ARG A 37 11.097 2.647 -4.381 1.00 0.00 N ATOM 569 CZ ARG A 37 11.022 3.680 -3.531 1.00 0.00 C ATOM 570 NH1 ARG A 37 11.755 3.679 -2.408 1.00 0.00 N ATOM 571 NH2 ARG A 37 10.215 4.715 -3.802 1.00 0.00 N ATOM 0 H ARG A 37 9.449 -0.759 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 37 11.263 -0.722 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.468 -0.968 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.884 -1.298 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.208 0.910 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.525 1.153 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.487 0.783 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.911 1.763 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 37 10.526 2.681 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.370 2.892 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.698 4.465 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.657 4.717 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.159 5.501 -3.154 1.00 0.00 H new ATOM 585 N SER A 38 10.710 -3.580 -5.855 1.00 0.00 N ATOM 586 CA SER A 38 10.880 -5.020 -5.947 1.00 0.00 C ATOM 587 C SER A 38 10.569 -5.493 -7.369 1.00 0.00 C ATOM 588 O SER A 38 11.064 -6.532 -7.803 1.00 0.00 O ATOM 589 CB SER A 38 9.988 -5.746 -4.939 1.00 0.00 C ATOM 590 OG SER A 38 10.351 -5.447 -3.593 1.00 0.00 O ATOM 0 H SER A 38 10.106 -3.270 -5.094 1.00 0.00 H new ATOM 0 HA SER A 38 11.917 -5.258 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.948 -5.464 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.056 -6.821 -5.103 1.00 0.00 H new ATOM 0 HG SER A 38 9.757 -5.928 -2.979 1.00 0.00 H new ATOM 596 N LEU A 39 9.750 -4.708 -8.054 1.00 0.00 N ATOM 597 CA LEU A 39 9.367 -5.034 -9.417 1.00 0.00 C ATOM 598 C LEU A 39 10.321 -4.339 -10.390 1.00 0.00 C ATOM 599 O LEU A 39 11.309 -4.928 -10.825 1.00 0.00 O ATOM 600 CB LEU A 39 7.893 -4.698 -9.654 1.00 0.00 C ATOM 601 CG LEU A 39 6.966 -5.890 -9.902 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.325 -6.366 -8.597 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.919 -5.556 -10.967 1.00 0.00 C ATOM 0 H LEU A 39 9.341 -3.847 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 39 9.458 -6.106 -9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.522 -4.148 -8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.827 -4.027 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 39 7.565 -6.716 -10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.671 -7.214 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.105 -6.669 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.742 -5.555 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.273 -6.419 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.319 -4.709 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.419 -5.301 -11.901 1.00 0.00 H new ATOM 615 N GLY A 40 9.991 -3.094 -10.704 1.00 0.00 N ATOM 616 CA GLY A 40 10.806 -2.312 -11.618 1.00 0.00 C ATOM 617 C GLY A 40 10.333 -0.858 -11.667 1.00 0.00 C ATOM 618 O GLY A 40 10.444 -0.199 -12.700 1.00 0.00 O ATOM 0 H GLY A 40 9.171 -2.608 -10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.849 -2.349 -11.303 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.759 -2.747 -12.616 1.00 0.00 H new ATOM 622 N GLN A 41 9.816 -0.399 -10.536 1.00 0.00 N ATOM 623 CA GLN A 41 9.326 0.965 -10.437 1.00 0.00 C ATOM 624 C GLN A 41 10.009 1.691 -9.276 1.00 0.00 C ATOM 625 O GLN A 41 10.833 1.108 -8.574 1.00 0.00 O ATOM 626 CB GLN A 41 7.804 0.991 -10.279 1.00 0.00 C ATOM 627 CG GLN A 41 7.111 0.936 -11.642 1.00 0.00 C ATOM 628 CD GLN A 41 5.774 1.679 -11.608 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.656 2.817 -12.033 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.777 0.975 -11.081 1.00 0.00 N ATOM 0 H GLN A 41 9.726 -0.948 -9.681 1.00 0.00 H new ATOM 0 HA GLN A 41 9.572 1.486 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.483 0.146 -9.670 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.505 1.896 -9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.757 1.378 -12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.947 -0.103 -11.929 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.945 0.027 -10.744 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.845 1.383 -11.014 1.00 0.00 H new ATOM 639 N ASN A 42 9.642 2.953 -9.111 1.00 0.00 N ATOM 640 CA ASN A 42 10.209 3.765 -8.048 1.00 0.00 C ATOM 641 C ASN A 42 9.638 5.182 -8.135 1.00 0.00 C ATOM 642 O ASN A 42 10.342 6.117 -8.513 1.00 0.00 O ATOM 643 CB ASN A 42 11.731 3.860 -8.180 1.00 0.00 C ATOM 644 CG ASN A 42 12.347 4.525 -6.948 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.026 5.646 -6.590 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.249 3.774 -6.322 1.00 0.00 N ATOM 0 H ASN A 42 8.958 3.433 -9.696 1.00 0.00 H new ATOM 0 HA ASN A 42 9.958 3.298 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.152 2.863 -8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.987 4.431 -9.072 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.718 4.129 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.471 2.843 -6.675 1.00 0.00 H new ATOM 653 N PRO A 43 8.334 5.299 -7.768 1.00 0.00 N ATOM 654 CA PRO A 43 7.660 6.587 -7.800 1.00 0.00 C ATOM 655 C PRO A 43 8.104 7.467 -6.630 1.00 0.00 C ATOM 656 O PRO A 43 8.176 7.005 -5.493 1.00 0.00 O ATOM 657 CB PRO A 43 6.177 6.255 -7.765 1.00 0.00 C ATOM 658 CG PRO A 43 6.081 4.829 -7.247 1.00 0.00 C ATOM 659 CD PRO A 43 7.469 4.214 -7.315 1.00 0.00 C ATOM 0 HA PRO A 43 7.904 7.168 -8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.638 6.944 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.734 6.341 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.709 4.819 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.378 4.251 -7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.783 3.837 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.495 3.372 -8.006 1.00 0.00 H new ATOM 667 N THR A 44 8.391 8.721 -6.950 1.00 0.00 N ATOM 668 CA THR A 44 8.826 9.670 -5.940 1.00 0.00 C ATOM 669 C THR A 44 7.829 9.708 -4.780 1.00 0.00 C ATOM 670 O THR A 44 6.668 9.337 -4.942 1.00 0.00 O ATOM 671 CB THR A 44 9.020 11.027 -6.619 1.00 0.00 C ATOM 672 OG1 THR A 44 7.742 11.324 -7.175 1.00 0.00 O ATOM 673 CG2 THR A 44 9.945 10.946 -7.835 1.00 0.00 C ATOM 0 H THR A 44 8.331 9.101 -7.895 1.00 0.00 H new ATOM 0 HA THR A 44 9.778 9.371 -5.500 1.00 0.00 H new ATOM 0 HB THR A 44 9.427 11.737 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.778 12.190 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.049 11.936 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.925 10.584 -7.523 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.521 10.261 -8.569 1.00 0.00 H new ATOM 681 N GLU A 45 8.320 10.161 -3.635 1.00 0.00 N ATOM 682 CA GLU A 45 7.487 10.252 -2.448 1.00 0.00 C ATOM 683 C GLU A 45 6.262 11.127 -2.725 1.00 0.00 C ATOM 684 O GLU A 45 5.232 10.985 -2.068 1.00 0.00 O ATOM 685 CB GLU A 45 8.285 10.788 -1.258 1.00 0.00 C ATOM 686 CG GLU A 45 8.576 9.677 -0.248 1.00 0.00 C ATOM 687 CD GLU A 45 9.195 10.246 1.031 1.00 0.00 C ATOM 688 OE1 GLU A 45 8.476 10.999 1.723 1.00 0.00 O ATOM 689 OE2 GLU A 45 10.372 9.914 1.287 1.00 0.00 O ATOM 0 H GLU A 45 9.284 10.469 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 45 7.143 9.250 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.222 11.220 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.727 11.589 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.653 9.150 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.254 8.947 -0.690 1.00 0.00 H new ATOM 696 N ALA A 46 6.415 12.012 -3.699 1.00 0.00 N ATOM 697 CA ALA A 46 5.335 12.910 -4.071 1.00 0.00 C ATOM 698 C ALA A 46 4.216 12.105 -4.736 1.00 0.00 C ATOM 699 O ALA A 46 3.039 12.310 -4.441 1.00 0.00 O ATOM 700 CB ALA A 46 5.878 14.014 -4.980 1.00 0.00 C ATOM 0 H ALA A 46 7.271 12.126 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 46 4.916 13.392 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.067 14.687 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.649 14.574 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.305 13.568 -5.879 1.00 0.00 H new ATOM 706 N GLU A 47 4.622 11.208 -5.623 1.00 0.00 N ATOM 707 CA GLU A 47 3.668 10.372 -6.332 1.00 0.00 C ATOM 708 C GLU A 47 2.858 9.534 -5.342 1.00 0.00 C ATOM 709 O GLU A 47 1.638 9.673 -5.258 1.00 0.00 O ATOM 710 CB GLU A 47 4.375 9.481 -7.356 1.00 0.00 C ATOM 711 CG GLU A 47 3.371 8.601 -8.102 1.00 0.00 C ATOM 712 CD GLU A 47 3.593 8.677 -9.614 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.777 8.743 -10.011 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.575 8.668 -10.339 1.00 0.00 O ATOM 0 H GLU A 47 5.598 11.042 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 47 2.981 11.020 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.920 10.101 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.110 8.853 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.469 7.568 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.356 8.919 -7.863 1.00 0.00 H new ATOM 721 N LEU A 48 3.567 8.682 -4.617 1.00 0.00 N ATOM 722 CA LEU A 48 2.929 7.821 -3.636 1.00 0.00 C ATOM 723 C LEU A 48 1.894 8.629 -2.852 1.00 0.00 C ATOM 724 O LEU A 48 0.712 8.286 -2.840 1.00 0.00 O ATOM 725 CB LEU A 48 3.979 7.144 -2.753 1.00 0.00 C ATOM 726 CG LEU A 48 5.032 6.308 -3.483 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.362 6.320 -2.728 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.526 4.885 -3.731 1.00 0.00 C ATOM 0 H LEU A 48 4.578 8.569 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 48 2.393 7.011 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.491 7.914 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.464 6.501 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 48 5.212 6.761 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.093 5.718 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.725 7.345 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.218 5.906 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.293 4.312 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.300 4.408 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.624 4.921 -4.341 1.00 0.00 H new ATOM 740 N GLN A 49 2.375 9.687 -2.215 1.00 0.00 N ATOM 741 CA GLN A 49 1.506 10.546 -1.429 1.00 0.00 C ATOM 742 C GLN A 49 0.182 10.775 -2.162 1.00 0.00 C ATOM 743 O GLN A 49 -0.886 10.717 -1.555 1.00 0.00 O ATOM 744 CB GLN A 49 2.193 11.875 -1.110 1.00 0.00 C ATOM 745 CG GLN A 49 1.988 12.260 0.357 1.00 0.00 C ATOM 746 CD GLN A 49 3.008 11.559 1.255 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.198 11.536 0.987 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.478 10.989 2.334 1.00 0.00 N ATOM 0 H GLN A 49 3.355 9.969 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 49 1.294 10.048 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.259 11.798 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.794 12.658 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.081 13.340 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.979 11.992 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.473 11.046 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.077 10.496 2.996 1.00 0.00 H new ATOM 757 N ASP A 50 0.296 11.030 -3.457 1.00 0.00 N ATOM 758 CA ASP A 50 -0.878 11.268 -4.280 1.00 0.00 C ATOM 759 C ASP A 50 -1.683 9.973 -4.399 1.00 0.00 C ATOM 760 O ASP A 50 -2.912 9.995 -4.350 1.00 0.00 O ATOM 761 CB ASP A 50 -0.482 11.710 -5.690 1.00 0.00 C ATOM 762 CG ASP A 50 -0.942 13.116 -6.080 1.00 0.00 C ATOM 763 OD1 ASP A 50 -0.448 14.072 -5.444 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.778 13.203 -7.006 1.00 0.00 O ATOM 0 H ASP A 50 1.184 11.077 -3.957 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.467 12.054 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.603 11.662 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.892 10.998 -6.406 1.00 0.00 H new ATOM 769 N MET A 51 -0.957 8.875 -4.552 1.00 0.00 N ATOM 770 CA MET A 51 -1.589 7.572 -4.678 1.00 0.00 C ATOM 771 C MET A 51 -2.253 7.155 -3.364 1.00 0.00 C ATOM 772 O MET A 51 -3.411 6.740 -3.355 1.00 0.00 O ATOM 773 CB MET A 51 -0.538 6.531 -5.072 1.00 0.00 C ATOM 774 CG MET A 51 0.222 6.968 -6.325 1.00 0.00 C ATOM 775 SD MET A 51 1.734 6.030 -6.479 1.00 0.00 S ATOM 776 CE MET A 51 1.590 5.487 -8.174 1.00 0.00 C ATOM 0 H MET A 51 0.062 8.861 -4.592 1.00 0.00 H new ATOM 0 HA MET A 51 -2.358 7.635 -5.448 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.162 6.386 -4.249 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.021 5.571 -5.252 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.400 6.819 -7.208 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.449 8.033 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.458 4.883 -8.438 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.685 4.891 -8.289 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.539 6.355 -8.831 1.00 0.00 H new ATOM 786 N ILE A 52 -1.492 7.280 -2.287 1.00 0.00 N ATOM 787 CA ILE A 52 -1.992 6.922 -0.971 1.00 0.00 C ATOM 788 C ILE A 52 -3.321 7.639 -0.723 1.00 0.00 C ATOM 789 O ILE A 52 -4.310 7.009 -0.351 1.00 0.00 O ATOM 790 CB ILE A 52 -0.934 7.201 0.099 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.132 6.103 0.114 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.581 7.391 1.472 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.684 5.896 1.526 1.00 0.00 C ATOM 0 H ILE A 52 -0.532 7.625 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.191 5.852 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.431 8.135 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.296 5.170 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.944 6.370 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.808 7.588 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.272 8.233 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.125 6.487 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.440 5.111 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.133 6.824 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.126 5.606 2.195 1.00 0.00 H new ATOM 805 N ASN A 53 -3.302 8.945 -0.940 1.00 0.00 N ATOM 806 CA ASN A 53 -4.493 9.754 -0.745 1.00 0.00 C ATOM 807 C ASN A 53 -5.677 9.089 -1.448 1.00 0.00 C ATOM 808 O ASN A 53 -6.726 8.879 -0.841 1.00 0.00 O ATOM 809 CB ASN A 53 -4.313 11.152 -1.341 1.00 0.00 C ATOM 810 CG ASN A 53 -3.876 12.153 -0.270 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.264 12.075 0.885 1.00 0.00 O ATOM 812 ND2 ASN A 53 -3.050 13.095 -0.715 1.00 0.00 N ATOM 0 H ASN A 53 -2.480 9.464 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.671 9.839 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.570 11.119 -2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.249 11.482 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.701 13.811 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.765 13.102 -1.694 1.00 0.00 H new ATOM 819 N GLU A 54 -5.470 8.775 -2.718 1.00 0.00 N ATOM 820 CA GLU A 54 -6.507 8.138 -3.511 1.00 0.00 C ATOM 821 C GLU A 54 -7.102 6.950 -2.751 1.00 0.00 C ATOM 822 O GLU A 54 -8.307 6.711 -2.810 1.00 0.00 O ATOM 823 CB GLU A 54 -5.966 7.700 -4.874 1.00 0.00 C ATOM 824 CG GLU A 54 -5.724 8.909 -5.781 1.00 0.00 C ATOM 825 CD GLU A 54 -5.734 8.498 -7.255 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.933 7.603 -7.600 1.00 0.00 O ATOM 827 OE2 GLU A 54 -6.542 9.089 -8.003 1.00 0.00 O ATOM 0 H GLU A 54 -4.598 8.950 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.299 8.866 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.035 7.149 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.673 7.020 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.493 9.661 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.767 9.368 -5.534 1.00 0.00 H new ATOM 834 N VAL A 55 -6.229 6.237 -2.054 1.00 0.00 N ATOM 835 CA VAL A 55 -6.652 5.081 -1.284 1.00 0.00 C ATOM 836 C VAL A 55 -6.596 5.419 0.207 1.00 0.00 C ATOM 837 O VAL A 55 -6.224 4.578 1.025 1.00 0.00 O ATOM 838 CB VAL A 55 -5.800 3.865 -1.653 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.332 3.187 -2.918 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.330 4.255 -1.817 1.00 0.00 C ATOM 0 H VAL A 55 -5.230 6.438 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.684 4.822 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.867 3.148 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.709 2.326 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.357 2.858 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.309 3.894 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.746 3.372 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.237 4.999 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.957 4.671 -0.881 1.00 0.00 H new ATOM 850 N ASP A 56 -6.971 6.651 0.517 1.00 0.00 N ATOM 851 CA ASP A 56 -6.969 7.111 1.895 1.00 0.00 C ATOM 852 C ASP A 56 -7.813 8.382 2.006 1.00 0.00 C ATOM 853 O ASP A 56 -7.430 9.432 1.492 1.00 0.00 O ATOM 854 CB ASP A 56 -5.550 7.443 2.362 1.00 0.00 C ATOM 855 CG ASP A 56 -5.468 8.427 3.530 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.930 9.573 3.341 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.945 8.012 4.587 1.00 0.00 O ATOM 0 H ASP A 56 -7.279 7.346 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.377 6.314 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.053 6.517 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.993 7.854 1.520 1.00 0.00 H new ATOM 862 N ALA A 57 -8.945 8.245 2.680 1.00 0.00 N ATOM 863 CA ALA A 57 -9.846 9.370 2.865 1.00 0.00 C ATOM 864 C ALA A 57 -9.705 9.902 4.293 1.00 0.00 C ATOM 865 O ALA A 57 -10.233 10.964 4.619 1.00 0.00 O ATOM 866 CB ALA A 57 -11.278 8.936 2.544 1.00 0.00 C ATOM 0 H ALA A 57 -9.259 7.372 3.105 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.590 10.182 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.954 9.780 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.332 8.594 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.570 8.124 3.210 1.00 0.00 H new ATOM 872 N ASP A 58 -8.990 9.139 5.106 1.00 0.00 N ATOM 873 CA ASP A 58 -8.772 9.520 6.492 1.00 0.00 C ATOM 874 C ASP A 58 -7.580 10.476 6.572 1.00 0.00 C ATOM 875 O ASP A 58 -7.431 11.207 7.550 1.00 0.00 O ATOM 876 CB ASP A 58 -8.458 8.298 7.356 1.00 0.00 C ATOM 877 CG ASP A 58 -7.122 7.616 7.051 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.871 7.372 5.851 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.383 7.355 8.025 1.00 0.00 O ATOM 0 H ASP A 58 -8.554 8.259 4.832 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.682 9.996 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.463 8.601 8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.258 7.568 7.231 1.00 0.00 H new ATOM 884 N GLY A 59 -6.762 10.439 5.531 1.00 0.00 N ATOM 885 CA GLY A 59 -5.587 11.292 5.471 1.00 0.00 C ATOM 886 C GLY A 59 -4.903 11.380 6.837 1.00 0.00 C ATOM 887 O GLY A 59 -4.499 12.460 7.265 1.00 0.00 O ATOM 0 H GLY A 59 -6.889 9.831 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.886 10.900 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.874 12.290 5.139 1.00 0.00 H new ATOM 891 N ASN A 60 -4.795 10.228 7.484 1.00 0.00 N ATOM 892 CA ASN A 60 -4.167 10.161 8.792 1.00 0.00 C ATOM 893 C ASN A 60 -2.650 10.056 8.621 1.00 0.00 C ATOM 894 O ASN A 60 -1.896 10.333 9.552 1.00 0.00 O ATOM 895 CB ASN A 60 -4.641 8.931 9.569 1.00 0.00 C ATOM 896 CG ASN A 60 -3.990 7.657 9.029 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.982 7.389 7.838 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.445 6.888 9.967 1.00 0.00 N ATOM 0 H ASN A 60 -5.132 9.334 7.126 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.439 11.062 9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.398 9.048 10.625 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.726 8.848 9.498 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.985 6.015 9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.487 7.171 10.946 1.00 0.00 H new ATOM 905 N GLY A 61 -2.249 9.654 7.423 1.00 0.00 N ATOM 906 CA GLY A 61 -0.836 9.508 7.118 1.00 0.00 C ATOM 907 C GLY A 61 -0.421 8.036 7.131 1.00 0.00 C ATOM 908 O GLY A 61 0.639 7.690 7.649 1.00 0.00 O ATOM 0 H GLY A 61 -2.878 9.425 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.625 9.940 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.244 10.063 7.846 1.00 0.00 H new ATOM 912 N THR A 62 -1.279 7.207 6.554 1.00 0.00 N ATOM 913 CA THR A 62 -1.015 5.780 6.493 1.00 0.00 C ATOM 914 C THR A 62 -2.167 5.054 5.794 1.00 0.00 C ATOM 915 O THR A 62 -3.303 5.525 5.810 1.00 0.00 O ATOM 916 CB THR A 62 -0.760 5.284 7.918 1.00 0.00 C ATOM 917 OG1 THR A 62 0.461 4.557 7.819 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.782 4.237 8.365 1.00 0.00 C ATOM 0 H THR A 62 -2.158 7.497 6.125 1.00 0.00 H new ATOM 0 HA THR A 62 -0.128 5.567 5.896 1.00 0.00 H new ATOM 0 HB THR A 62 -0.782 6.129 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.702 4.201 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.555 3.919 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.782 4.669 8.334 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.737 3.377 7.697 1.00 0.00 H new ATOM 926 N ILE A 63 -1.833 3.919 5.198 1.00 0.00 N ATOM 927 CA ILE A 63 -2.825 3.123 4.495 1.00 0.00 C ATOM 928 C ILE A 63 -3.153 1.878 5.321 1.00 0.00 C ATOM 929 O ILE A 63 -2.256 1.237 5.867 1.00 0.00 O ATOM 930 CB ILE A 63 -2.353 2.811 3.073 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.274 4.085 2.230 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.238 1.746 2.423 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.588 4.331 1.485 1.00 0.00 C ATOM 0 H ILE A 63 -0.890 3.532 5.187 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.752 3.684 4.382 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.345 2.400 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.051 4.937 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.456 4.002 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.881 1.543 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.198 0.830 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.266 2.105 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.506 5.243 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.796 3.488 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.400 4.438 2.205 1.00 0.00 H new ATOM 945 N ASP A 64 -4.440 1.572 5.387 1.00 0.00 N ATOM 946 CA ASP A 64 -4.897 0.415 6.138 1.00 0.00 C ATOM 947 C ASP A 64 -5.511 -0.603 5.174 1.00 0.00 C ATOM 948 O ASP A 64 -5.418 -0.446 3.957 1.00 0.00 O ATOM 949 CB ASP A 64 -5.969 0.807 7.156 1.00 0.00 C ATOM 950 CG ASP A 64 -5.512 1.801 8.226 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.511 2.501 7.959 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.173 1.839 9.286 1.00 0.00 O ATOM 0 H ASP A 64 -5.181 2.105 4.933 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.039 -0.007 6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.817 1.236 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.327 -0.096 7.650 1.00 0.00 H new ATOM 957 N PHE A 65 -6.125 -1.624 5.754 1.00 0.00 N ATOM 958 CA PHE A 65 -6.754 -2.667 4.962 1.00 0.00 C ATOM 959 C PHE A 65 -8.002 -2.139 4.251 1.00 0.00 C ATOM 960 O PHE A 65 -8.216 -2.421 3.073 1.00 0.00 O ATOM 961 CB PHE A 65 -7.165 -3.778 5.930 1.00 0.00 C ATOM 962 CG PHE A 65 -7.601 -5.073 5.242 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.900 -5.548 4.178 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.691 -5.749 5.695 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.305 -6.749 3.540 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.096 -6.951 5.056 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.395 -7.426 3.992 1.00 0.00 C ATOM 0 H PHE A 65 -6.200 -1.751 6.763 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.060 -3.026 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.328 -3.995 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.982 -3.418 6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.035 -5.011 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.248 -5.372 6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.748 -7.126 2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.961 -7.488 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.703 -8.340 3.506 1.00 0.00 H new ATOM 977 N PRO A 66 -8.814 -1.361 5.017 1.00 0.00 N ATOM 978 CA PRO A 66 -10.034 -0.791 4.473 1.00 0.00 C ATOM 979 C PRO A 66 -9.724 0.386 3.546 1.00 0.00 C ATOM 980 O PRO A 66 -10.608 0.881 2.848 1.00 0.00 O ATOM 981 CB PRO A 66 -10.856 -0.390 5.688 1.00 0.00 C ATOM 982 CG PRO A 66 -9.878 -0.322 6.849 1.00 0.00 C ATOM 983 CD PRO A 66 -8.591 -1.006 6.416 1.00 0.00 C ATOM 0 HA PRO A 66 -10.586 -1.495 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.342 0.573 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.644 -1.117 5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.685 0.715 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.294 -0.814 7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.733 -0.342 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.389 -1.889 7.022 1.00 0.00 H new ATOM 991 N GLU A 67 -8.466 0.800 3.569 1.00 0.00 N ATOM 992 CA GLU A 67 -8.029 1.910 2.740 1.00 0.00 C ATOM 993 C GLU A 67 -7.316 1.390 1.489 1.00 0.00 C ATOM 994 O GLU A 67 -7.285 2.065 0.462 1.00 0.00 O ATOM 995 CB GLU A 67 -7.127 2.862 3.528 1.00 0.00 C ATOM 996 CG GLU A 67 -7.590 2.978 4.982 1.00 0.00 C ATOM 997 CD GLU A 67 -8.614 4.103 5.143 1.00 0.00 C ATOM 998 OE1 GLU A 67 -9.684 3.992 4.505 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.305 5.048 5.900 1.00 0.00 O ATOM 0 H GLU A 67 -7.735 0.387 4.149 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.909 2.472 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.098 2.503 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.135 3.847 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.028 2.034 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.732 3.168 5.627 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.762 0.193 1.618 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.052 -0.426 0.512 1.00 0.00 C ATOM 1008 C PHE A 68 -6.981 -1.336 -0.295 1.00 0.00 C ATOM 1009 O PHE A 68 -6.785 -1.522 -1.495 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.929 -1.270 1.117 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.598 -2.531 0.316 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.465 -3.579 0.309 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.437 -2.605 -0.388 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -5.158 -4.749 -0.434 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.130 -3.775 -1.131 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.997 -4.823 -1.138 1.00 0.00 C ATOM 0 H PHE A 68 -6.791 -0.364 2.472 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.667 0.342 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.031 -0.657 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.210 -1.559 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.387 -3.521 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.748 -1.773 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.847 -5.581 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.208 -3.833 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.763 -5.714 -1.703 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.971 -1.880 0.397 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.931 -2.766 -0.239 1.00 0.00 C ATOM 1028 C LEU A 69 -9.445 -2.115 -1.525 1.00 0.00 C ATOM 1029 O LEU A 69 -9.876 -2.807 -2.446 1.00 0.00 O ATOM 1030 CB LEU A 69 -10.039 -3.149 0.743 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.767 -4.375 1.617 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.765 -4.457 2.773 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.755 -5.655 0.778 1.00 0.00 C ATOM 0 H LEU A 69 -8.129 -1.724 1.393 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.454 -3.703 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.229 -2.297 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.953 -3.327 0.177 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.775 -4.268 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.549 -5.337 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.681 -3.563 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.777 -4.530 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.560 -6.511 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.722 -5.780 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.974 -5.586 0.020 1.00 0.00 H new ATOM 1045 N THR A 70 -9.384 -0.791 -1.545 1.00 0.00 N ATOM 1046 CA THR A 70 -9.839 -0.039 -2.702 1.00 0.00 C ATOM 1047 C THR A 70 -8.817 -0.137 -3.837 1.00 0.00 C ATOM 1048 O THR A 70 -9.189 -0.185 -5.009 1.00 0.00 O ATOM 1049 CB THR A 70 -10.113 1.398 -2.254 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.233 2.125 -3.474 1.00 0.00 O ATOM 1051 CG2 THR A 70 -8.908 2.034 -1.558 1.00 0.00 C ATOM 0 H THR A 70 -9.027 -0.220 -0.779 1.00 0.00 H new ATOM 0 HA THR A 70 -10.765 -0.452 -3.103 1.00 0.00 H new ATOM 0 HB THR A 70 -10.970 1.411 -1.580 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.413 3.068 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.156 3.053 -1.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.649 1.451 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.060 2.052 -2.243 1.00 0.00 H new ATOM 1059 N MET A 71 -7.551 -0.164 -3.450 1.00 0.00 N ATOM 1060 CA MET A 71 -6.473 -0.256 -4.420 1.00 0.00 C ATOM 1061 C MET A 71 -6.673 -1.454 -5.350 1.00 0.00 C ATOM 1062 O MET A 71 -6.740 -1.295 -6.567 1.00 0.00 O ATOM 1063 CB MET A 71 -5.137 -0.395 -3.687 1.00 0.00 C ATOM 1064 CG MET A 71 -4.163 0.708 -4.109 1.00 0.00 C ATOM 1065 SD MET A 71 -2.709 -0.014 -4.852 1.00 0.00 S ATOM 1066 CE MET A 71 -2.842 0.653 -6.503 1.00 0.00 C ATOM 0 H MET A 71 -7.247 -0.124 -2.477 1.00 0.00 H new ATOM 0 HA MET A 71 -6.474 0.652 -5.023 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.302 -0.347 -2.611 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.701 -1.371 -3.900 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.647 1.381 -4.817 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.880 1.306 -3.243 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.006 0.300 -7.107 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.779 0.325 -6.953 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.822 1.742 -6.458 1.00 0.00 H new ATOM 1076 N MET A 72 -6.762 -2.627 -4.740 1.00 0.00 N ATOM 1077 CA MET A 72 -6.953 -3.852 -5.498 1.00 0.00 C ATOM 1078 C MET A 72 -8.307 -3.851 -6.209 1.00 0.00 C ATOM 1079 O MET A 72 -8.460 -4.469 -7.262 1.00 0.00 O ATOM 1080 CB MET A 72 -6.872 -5.054 -4.555 1.00 0.00 C ATOM 1081 CG MET A 72 -5.496 -5.139 -3.891 1.00 0.00 C ATOM 1082 SD MET A 72 -4.619 -6.575 -4.486 1.00 0.00 S ATOM 1083 CE MET A 72 -2.995 -5.871 -4.721 1.00 0.00 C ATOM 0 H MET A 72 -6.705 -2.755 -3.730 1.00 0.00 H new ATOM 0 HA MET A 72 -6.168 -3.917 -6.252 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.644 -4.973 -3.790 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.069 -5.971 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.923 -4.237 -4.107 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.608 -5.194 -2.808 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.239 -6.641 -4.567 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.912 -5.479 -5.735 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.842 -5.063 -4.005 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.256 -3.151 -5.606 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.593 -3.061 -6.169 1.00 0.00 C ATOM 1095 C ALA A 73 -10.540 -2.260 -7.472 1.00 0.00 C ATOM 1096 O ALA A 73 -11.180 -2.626 -8.456 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.540 -2.440 -5.140 1.00 0.00 C ATOM 0 H ALA A 73 -9.126 -2.640 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.977 -4.053 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.543 -2.373 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.564 -3.062 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.189 -1.442 -4.878 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.772 -1.181 -7.435 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.628 -0.325 -8.600 1.00 0.00 C ATOM 1105 C ARG A 74 -8.484 -0.823 -9.486 1.00 0.00 C ATOM 1106 O ARG A 74 -7.738 -0.024 -10.050 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.352 1.123 -8.189 1.00 0.00 C ATOM 1108 CG ARG A 74 -10.466 2.052 -8.675 1.00 0.00 C ATOM 1109 CD ARG A 74 -10.931 2.983 -7.553 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.842 3.915 -7.184 1.00 0.00 N ATOM 1111 CZ ARG A 74 -10.036 5.097 -6.584 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -11.278 5.499 -6.282 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -8.988 5.877 -6.287 1.00 0.00 N ATOM 0 H ARG A 74 -9.243 -0.880 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.565 -0.361 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.267 1.187 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.397 1.447 -8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.110 2.643 -9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.308 1.460 -9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.808 3.545 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.230 2.397 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.884 3.640 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.076 4.905 -6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.426 6.399 -5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.043 5.571 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.135 6.777 -5.830 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.382 -2.140 -9.582 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.342 -2.754 -10.390 1.00 0.00 C ATOM 1129 C LYS A 75 -7.586 -2.424 -11.864 1.00 0.00 C ATOM 1130 O LYS A 75 -6.835 -2.862 -12.734 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.255 -4.254 -10.102 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.134 -4.558 -9.107 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.018 -5.370 -9.768 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.943 -6.780 -9.178 1.00 0.00 C ATOM 1135 NZ LYS A 75 -6.265 -7.443 -9.251 1.00 0.00 N ATOM 1136 OXT LYS A 75 -8.638 -1.654 -12.098 1.00 0.00 O ATOM 0 H LYS A 75 -9.003 -2.800 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.366 -2.346 -10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.206 -4.607 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.078 -4.796 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.727 -3.625 -8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.537 -5.111 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.194 -5.430 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.063 -4.863 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.204 -7.369 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.611 -6.730 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.133 -8.467 -9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.790 -7.269 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.802 -7.060 -10.055 1.00 0.00 H new