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 26 THR OG1 : rot -26:sc= 0.993 USER MOD Set 1.2: A 60 ASN : amide:sc= -8.32! C(o=-9!,f=-11!) USER MOD Set 1.3: A 62 THR OG1 : rot 117:sc= -1.7! USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 3.1: A 28 THR OG1 : rot -136:sc= 0.172! USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 8 GLN : amide:sc= -3.47! C(o=-3.5!,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -160:sc= -0.685 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 92:sc= 0.415 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0872 K(o=-0.087,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.21) USER MOD Single : A 51 MET CE :methyl 175:sc= 0 (180deg=-0.0395) USER MOD Single : A 53 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.158 -14.476 3.721 1.00 0.00 N ATOM 106 CA GLU A 7 -13.503 -15.534 2.972 1.00 0.00 C ATOM 107 C GLU A 7 -12.766 -14.951 1.764 1.00 0.00 C ATOM 108 O GLU A 7 -11.675 -15.405 1.420 1.00 0.00 O ATOM 109 CB GLU A 7 -14.509 -16.602 2.537 1.00 0.00 C ATOM 110 CG GLU A 7 -15.102 -17.323 3.749 1.00 0.00 C ATOM 111 CD GLU A 7 -14.588 -18.761 3.837 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.425 -18.974 3.431 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.370 -19.615 4.307 1.00 0.00 O ATOM 0 HA GLU A 7 -12.772 -16.014 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.308 -16.139 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.019 -17.324 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.843 -16.784 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.190 -17.325 3.679 1.00 0.00 H new ATOM 120 N GLN A 8 -13.390 -13.954 1.155 1.00 0.00 N ATOM 121 CA GLN A 8 -12.807 -13.304 -0.006 1.00 0.00 C ATOM 122 C GLN A 8 -11.680 -12.362 0.422 1.00 0.00 C ATOM 123 O GLN A 8 -10.577 -12.422 -0.119 1.00 0.00 O ATOM 124 CB GLN A 8 -13.872 -12.554 -0.808 1.00 0.00 C ATOM 125 CG GLN A 8 -14.365 -13.396 -1.987 1.00 0.00 C ATOM 126 CD GLN A 8 -14.837 -14.774 -1.517 1.00 0.00 C ATOM 127 OE1 GLN A 8 -14.199 -15.438 -0.717 1.00 0.00 O ATOM 128 NE2 GLN A 8 -15.988 -15.164 -2.057 1.00 0.00 N ATOM 0 H GLN A 8 -14.294 -13.580 1.444 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.386 -14.073 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.711 -12.303 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.461 -11.614 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.182 -12.880 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.563 -13.511 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.471 -14.559 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.388 -16.068 -1.807 1.00 0.00 H new ATOM 137 N ILE A 9 -11.996 -11.515 1.391 1.00 0.00 N ATOM 138 CA ILE A 9 -11.024 -10.562 1.898 1.00 0.00 C ATOM 139 C ILE A 9 -9.759 -11.309 2.326 1.00 0.00 C ATOM 140 O ILE A 9 -8.647 -10.868 2.039 1.00 0.00 O ATOM 141 CB ILE A 9 -11.639 -9.709 3.009 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.250 -8.238 2.851 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.267 -10.255 4.389 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.344 -7.457 2.119 1.00 0.00 C ATOM 0 H ILE A 9 -12.912 -11.469 1.838 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.732 -9.862 1.115 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.724 -9.766 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.078 -7.796 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.313 -8.163 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.717 -9.630 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.636 -11.276 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.183 -10.248 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.042 -6.414 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.497 -7.886 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.273 -7.514 2.686 1.00 0.00 H new ATOM 156 N ALA A 10 -9.971 -12.427 3.004 1.00 0.00 N ATOM 157 CA ALA A 10 -8.862 -13.239 3.474 1.00 0.00 C ATOM 158 C ALA A 10 -7.805 -13.337 2.372 1.00 0.00 C ATOM 159 O ALA A 10 -6.607 -13.283 2.649 1.00 0.00 O ATOM 160 CB ALA A 10 -9.381 -14.612 3.907 1.00 0.00 C ATOM 0 H ALA A 10 -10.895 -12.790 3.239 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.392 -12.779 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.549 -15.221 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.107 -14.490 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.858 -15.105 3.059 1.00 0.00 H new ATOM 166 N GLU A 11 -8.286 -13.480 1.146 1.00 0.00 N ATOM 167 CA GLU A 11 -7.397 -13.587 0.001 1.00 0.00 C ATOM 168 C GLU A 11 -6.629 -12.279 -0.198 1.00 0.00 C ATOM 169 O GLU A 11 -5.435 -12.295 -0.494 1.00 0.00 O ATOM 170 CB GLU A 11 -8.173 -13.964 -1.262 1.00 0.00 C ATOM 171 CG GLU A 11 -8.801 -15.353 -1.126 1.00 0.00 C ATOM 172 CD GLU A 11 -9.514 -15.761 -2.417 1.00 0.00 C ATOM 173 OE1 GLU A 11 -10.660 -15.297 -2.603 1.00 0.00 O ATOM 174 OE2 GLU A 11 -8.898 -16.528 -3.188 1.00 0.00 O ATOM 0 H GLU A 11 -9.280 -13.524 0.920 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.678 -14.382 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.953 -13.225 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.505 -13.946 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.028 -16.084 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.510 -15.356 -0.298 1.00 0.00 H new ATOM 181 N PHE A 12 -7.345 -11.177 -0.027 1.00 0.00 N ATOM 182 CA PHE A 12 -6.745 -9.863 -0.183 1.00 0.00 C ATOM 183 C PHE A 12 -5.704 -9.602 0.907 1.00 0.00 C ATOM 184 O PHE A 12 -4.682 -8.965 0.655 1.00 0.00 O ATOM 185 CB PHE A 12 -7.873 -8.838 -0.051 1.00 0.00 C ATOM 186 CG PHE A 12 -8.756 -8.721 -1.295 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.733 -9.639 -1.524 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.565 -7.698 -2.170 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.552 -9.530 -2.679 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.385 -7.589 -3.325 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.361 -8.507 -3.555 1.00 0.00 C ATOM 0 H PHE A 12 -8.335 -11.167 0.218 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.244 -9.795 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.497 -9.108 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.440 -7.862 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.886 -10.450 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.790 -6.968 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.327 -10.260 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.233 -6.777 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.985 -8.424 -4.433 1.00 0.00 H new ATOM 201 N LYS A 13 -5.999 -10.108 2.095 1.00 0.00 N ATOM 202 CA LYS A 13 -5.101 -9.937 3.225 1.00 0.00 C ATOM 203 C LYS A 13 -3.655 -10.079 2.747 1.00 0.00 C ATOM 204 O LYS A 13 -2.850 -9.163 2.910 1.00 0.00 O ATOM 205 CB LYS A 13 -5.473 -10.899 4.355 1.00 0.00 C ATOM 206 CG LYS A 13 -6.763 -10.457 5.049 1.00 0.00 C ATOM 207 CD LYS A 13 -6.828 -10.996 6.480 1.00 0.00 C ATOM 208 CE LYS A 13 -8.094 -11.828 6.694 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.400 -11.944 8.138 1.00 0.00 N ATOM 0 H LYS A 13 -6.847 -10.636 2.300 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.202 -8.936 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.598 -11.905 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.662 -10.943 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.818 -9.368 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.625 -10.812 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.948 -11.607 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.810 -10.166 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.933 -11.365 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.961 -12.821 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.262 -12.512 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.606 -12.406 8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.547 -10.996 8.539 1.00 0.00 H new ATOM 223 N GLU A 14 -3.368 -11.236 2.167 1.00 0.00 N ATOM 224 CA GLU A 14 -2.032 -11.510 1.665 1.00 0.00 C ATOM 225 C GLU A 14 -1.557 -10.365 0.768 1.00 0.00 C ATOM 226 O GLU A 14 -0.401 -9.952 0.843 1.00 0.00 O ATOM 227 CB GLU A 14 -1.991 -12.844 0.918 1.00 0.00 C ATOM 228 CG GLU A 14 -2.313 -14.009 1.857 1.00 0.00 C ATOM 229 CD GLU A 14 -1.568 -15.277 1.434 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.602 -15.576 0.221 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.983 -15.918 2.333 1.00 0.00 O ATOM 0 H GLU A 14 -4.038 -11.994 2.034 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.354 -11.585 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.706 -12.827 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.004 -12.989 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.037 -13.745 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.387 -14.196 1.855 1.00 0.00 H new ATOM 238 N ALA A 15 -2.473 -9.884 -0.059 1.00 0.00 N ATOM 239 CA ALA A 15 -2.162 -8.794 -0.969 1.00 0.00 C ATOM 240 C ALA A 15 -1.633 -7.603 -0.169 1.00 0.00 C ATOM 241 O ALA A 15 -0.544 -7.101 -0.442 1.00 0.00 O ATOM 242 CB ALA A 15 -3.406 -8.441 -1.787 1.00 0.00 C ATOM 0 H ALA A 15 -3.431 -10.229 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.383 -9.091 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.173 -7.624 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.724 -9.312 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.208 -8.135 -1.115 1.00 0.00 H new ATOM 248 N PHE A 16 -2.429 -7.184 0.804 1.00 0.00 N ATOM 249 CA PHE A 16 -2.054 -6.060 1.646 1.00 0.00 C ATOM 250 C PHE A 16 -0.673 -6.277 2.267 1.00 0.00 C ATOM 251 O PHE A 16 0.062 -5.320 2.505 1.00 0.00 O ATOM 252 CB PHE A 16 -3.095 -5.972 2.764 1.00 0.00 C ATOM 253 CG PHE A 16 -3.011 -4.689 3.593 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.283 -3.488 3.017 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.664 -4.750 4.907 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.205 -2.297 3.787 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.586 -3.559 5.677 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.858 -2.358 5.100 1.00 0.00 C ATOM 0 H PHE A 16 -3.332 -7.602 1.028 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.016 -5.147 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.090 -6.045 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.975 -6.829 3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.558 -3.439 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.448 -5.704 5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.421 -1.343 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.311 -3.607 6.720 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.798 -1.452 5.685 1.00 0.00 H new ATOM 268 N SER A 17 -0.362 -7.541 2.513 1.00 0.00 N ATOM 269 CA SER A 17 0.918 -7.896 3.102 1.00 0.00 C ATOM 270 C SER A 17 2.058 -7.458 2.180 1.00 0.00 C ATOM 271 O SER A 17 2.996 -6.795 2.619 1.00 0.00 O ATOM 272 CB SER A 17 1.002 -9.400 3.372 1.00 0.00 C ATOM 273 OG SER A 17 -0.269 -9.955 3.699 1.00 0.00 O ATOM 0 H SER A 17 -0.974 -8.332 2.315 1.00 0.00 H new ATOM 0 HA SER A 17 1.011 -7.377 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.403 -9.904 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.699 -9.583 4.190 1.00 0.00 H new ATOM 0 HG SER A 17 -0.143 -10.809 4.163 1.00 0.00 H new ATOM 279 N LEU A 18 1.939 -7.847 0.919 1.00 0.00 N ATOM 280 CA LEU A 18 2.948 -7.503 -0.069 1.00 0.00 C ATOM 281 C LEU A 18 3.425 -6.070 0.175 1.00 0.00 C ATOM 282 O LEU A 18 4.604 -5.842 0.441 1.00 0.00 O ATOM 283 CB LEU A 18 2.416 -7.742 -1.483 1.00 0.00 C ATOM 284 CG LEU A 18 2.969 -8.970 -2.209 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.067 -10.186 -1.994 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.190 -8.676 -3.694 1.00 0.00 C ATOM 0 H LEU A 18 1.159 -8.397 0.559 1.00 0.00 H new ATOM 0 HA LEU A 18 3.818 -8.151 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.331 -7.833 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.633 -6.860 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 18 3.942 -9.211 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.483 -11.045 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.004 -10.409 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.070 -9.972 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.583 -9.565 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.243 -8.395 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.902 -7.857 -3.801 1.00 0.00 H new ATOM 298 N PHE A 19 2.486 -5.142 0.075 1.00 0.00 N ATOM 299 CA PHE A 19 2.796 -3.737 0.281 1.00 0.00 C ATOM 300 C PHE A 19 3.236 -3.479 1.723 1.00 0.00 C ATOM 301 O PHE A 19 4.225 -2.786 1.960 1.00 0.00 O ATOM 302 CB PHE A 19 1.513 -2.950 0.003 1.00 0.00 C ATOM 303 CG PHE A 19 1.194 -2.786 -1.484 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.882 -1.883 -2.232 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.221 -3.544 -2.058 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.586 -1.731 -3.612 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.075 -3.392 -3.439 1.00 0.00 C ATOM 308 CZ PHE A 19 0.613 -2.488 -4.187 1.00 0.00 C ATOM 0 H PHE A 19 1.509 -5.335 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 19 3.609 -3.435 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.678 -3.453 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.599 -1.963 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.654 -1.281 -1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.326 -4.261 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.134 -1.014 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.847 -3.994 -3.895 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.387 -2.371 -5.237 1.00 0.00 H new ATOM 318 N ASP A 20 2.480 -4.049 2.650 1.00 0.00 N ATOM 319 CA ASP A 20 2.780 -3.889 4.063 1.00 0.00 C ATOM 320 C ASP A 20 3.956 -4.794 4.436 1.00 0.00 C ATOM 321 O ASP A 20 3.758 -5.909 4.918 1.00 0.00 O ATOM 322 CB ASP A 20 1.583 -4.288 4.928 1.00 0.00 C ATOM 323 CG ASP A 20 1.903 -4.522 6.406 1.00 0.00 C ATOM 324 OD1 ASP A 20 1.893 -3.520 7.154 1.00 0.00 O ATOM 325 OD2 ASP A 20 2.151 -5.696 6.755 1.00 0.00 O ATOM 0 H ASP A 20 1.660 -4.622 2.450 1.00 0.00 H new ATOM 0 HA ASP A 20 3.020 -2.841 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.825 -3.508 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.145 -5.198 4.518 1.00 0.00 H new ATOM 330 N LYS A 21 5.154 -4.282 4.199 1.00 0.00 N ATOM 331 CA LYS A 21 6.362 -5.030 4.504 1.00 0.00 C ATOM 332 C LYS A 21 6.856 -4.645 5.900 1.00 0.00 C ATOM 333 O LYS A 21 8.033 -4.813 6.214 1.00 0.00 O ATOM 334 CB LYS A 21 7.408 -4.830 3.405 1.00 0.00 C ATOM 335 CG LYS A 21 8.203 -6.114 3.164 1.00 0.00 C ATOM 336 CD LYS A 21 9.507 -6.110 3.964 1.00 0.00 C ATOM 337 CE LYS A 21 9.657 -7.399 4.775 1.00 0.00 C ATOM 338 NZ LYS A 21 10.621 -8.313 4.123 1.00 0.00 N ATOM 0 H LYS A 21 5.315 -3.358 3.799 1.00 0.00 H new ATOM 0 HA LYS A 21 6.153 -6.100 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.916 -4.524 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.087 -4.025 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.601 -6.977 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.424 -6.215 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.353 -6.002 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.524 -5.250 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.996 -7.163 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.689 -7.890 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.711 -9.182 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.282 -8.552 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.549 -7.848 4.054 1.00 0.00 H new ATOM 352 N ASP A 22 5.930 -4.138 6.701 1.00 0.00 N ATOM 353 CA ASP A 22 6.257 -3.729 8.057 1.00 0.00 C ATOM 354 C ASP A 22 5.492 -4.608 9.048 1.00 0.00 C ATOM 355 O ASP A 22 5.800 -4.619 10.239 1.00 0.00 O ATOM 356 CB ASP A 22 5.852 -2.274 8.305 1.00 0.00 C ATOM 357 CG ASP A 22 4.493 -2.088 8.982 1.00 0.00 C ATOM 358 OD1 ASP A 22 3.592 -2.900 8.679 1.00 0.00 O ATOM 359 OD2 ASP A 22 4.385 -1.137 9.786 1.00 0.00 O ATOM 0 H ASP A 22 4.954 -4.001 6.437 1.00 0.00 H new ATOM 0 HA ASP A 22 7.334 -3.832 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.616 -1.800 8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.841 -1.748 7.350 1.00 0.00 H new ATOM 364 N GLY A 23 4.511 -5.325 8.520 1.00 0.00 N ATOM 365 CA GLY A 23 3.700 -6.205 9.344 1.00 0.00 C ATOM 366 C GLY A 23 3.158 -5.465 10.569 1.00 0.00 C ATOM 367 O GLY A 23 3.699 -5.595 11.666 1.00 0.00 O ATOM 0 H GLY A 23 4.259 -5.314 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.871 -6.598 8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.296 -7.059 9.665 1.00 0.00 H new ATOM 371 N ASP A 24 2.097 -4.706 10.339 1.00 0.00 N ATOM 372 CA ASP A 24 1.476 -3.945 11.410 1.00 0.00 C ATOM 373 C ASP A 24 -0.032 -3.864 11.164 1.00 0.00 C ATOM 374 O ASP A 24 -0.824 -3.988 12.097 1.00 0.00 O ATOM 375 CB ASP A 24 2.024 -2.518 11.462 1.00 0.00 C ATOM 376 CG ASP A 24 1.504 -1.586 10.365 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.420 -2.058 9.211 1.00 0.00 O ATOM 378 OD2 ASP A 24 1.203 -0.421 10.706 1.00 0.00 O ATOM 0 H ASP A 24 1.652 -4.602 9.427 1.00 0.00 H new ATOM 0 HA ASP A 24 1.694 -4.449 12.352 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.779 -2.086 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.111 -2.560 11.397 1.00 0.00 H new ATOM 383 N GLY A 25 -0.383 -3.656 9.904 1.00 0.00 N ATOM 384 CA GLY A 25 -1.782 -3.557 9.524 1.00 0.00 C ATOM 385 C GLY A 25 -2.042 -2.283 8.716 1.00 0.00 C ATOM 386 O GLY A 25 -3.188 -1.962 8.409 1.00 0.00 O ATOM 0 H GLY A 25 0.277 -3.553 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.065 -4.429 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.406 -3.559 10.418 1.00 0.00 H new ATOM 390 N THR A 26 -0.957 -1.593 8.395 1.00 0.00 N ATOM 391 CA THR A 26 -1.053 -0.362 7.629 1.00 0.00 C ATOM 392 C THR A 26 0.042 -0.311 6.562 1.00 0.00 C ATOM 393 O THR A 26 1.101 -0.914 6.726 1.00 0.00 O ATOM 394 CB THR A 26 -1.000 0.811 8.611 1.00 0.00 C ATOM 395 OG1 THR A 26 -1.790 1.820 7.988 1.00 0.00 O ATOM 396 CG2 THR A 26 0.394 1.433 8.705 1.00 0.00 C ATOM 0 H THR A 26 -0.007 -1.863 8.651 1.00 0.00 H new ATOM 0 HA THR A 26 -1.996 -0.307 7.085 1.00 0.00 H new ATOM 0 HB THR A 26 -1.313 0.473 9.599 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.784 1.687 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.376 2.260 9.415 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.106 0.680 9.043 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.694 1.803 7.725 1.00 0.00 H new ATOM 404 N ILE A 27 -0.252 0.414 5.493 1.00 0.00 N ATOM 405 CA ILE A 27 0.695 0.552 4.399 1.00 0.00 C ATOM 406 C ILE A 27 1.066 2.027 4.234 1.00 0.00 C ATOM 407 O ILE A 27 0.293 2.807 3.679 1.00 0.00 O ATOM 408 CB ILE A 27 0.139 -0.088 3.126 1.00 0.00 C ATOM 409 CG1 ILE A 27 -0.130 -1.580 3.335 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.065 0.166 1.935 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.738 -2.209 2.079 1.00 0.00 C ATOM 0 H ILE A 27 -1.132 0.912 5.361 1.00 0.00 H new ATOM 0 HA ILE A 27 1.616 0.014 4.623 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.817 0.383 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.800 -2.089 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.807 -1.716 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.646 -0.300 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.162 1.239 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.047 -0.261 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.919 -3.269 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.680 -1.714 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.048 -2.092 1.243 1.00 0.00 H new ATOM 423 N THR A 28 2.249 2.365 4.726 1.00 0.00 N ATOM 424 CA THR A 28 2.731 3.733 4.640 1.00 0.00 C ATOM 425 C THR A 28 3.180 4.052 3.213 1.00 0.00 C ATOM 426 O THR A 28 2.674 3.469 2.255 1.00 0.00 O ATOM 427 CB THR A 28 3.841 3.909 5.679 1.00 0.00 C ATOM 428 OG1 THR A 28 4.280 5.252 5.494 1.00 0.00 O ATOM 429 CG2 THR A 28 5.078 3.066 5.363 1.00 0.00 C ATOM 0 H THR A 28 2.887 1.716 5.185 1.00 0.00 H new ATOM 0 HA THR A 28 1.938 4.446 4.865 1.00 0.00 H new ATOM 0 HB THR A 28 3.461 3.641 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.259 5.281 5.511 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.835 3.228 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.804 2.011 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.478 3.357 4.392 1.00 0.00 H new ATOM 437 N THR A 29 4.124 4.976 3.115 1.00 0.00 N ATOM 438 CA THR A 29 4.647 5.379 1.821 1.00 0.00 C ATOM 439 C THR A 29 5.832 4.496 1.426 1.00 0.00 C ATOM 440 O THR A 29 5.860 3.942 0.328 1.00 0.00 O ATOM 441 CB THR A 29 4.994 6.867 1.893 1.00 0.00 C ATOM 442 OG1 THR A 29 5.535 7.033 3.201 1.00 0.00 O ATOM 443 CG2 THR A 29 3.752 7.760 1.887 1.00 0.00 C ATOM 0 H THR A 29 4.541 5.458 3.912 1.00 0.00 H new ATOM 0 HA THR A 29 3.905 5.242 1.035 1.00 0.00 H new ATOM 0 HB THR A 29 5.634 7.132 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.789 7.970 3.333 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.055 8.806 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.187 7.592 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.127 7.520 2.747 1.00 0.00 H new ATOM 451 N LYS A 30 6.783 4.392 2.343 1.00 0.00 N ATOM 452 CA LYS A 30 7.968 3.587 2.104 1.00 0.00 C ATOM 453 C LYS A 30 7.548 2.148 1.794 1.00 0.00 C ATOM 454 O LYS A 30 8.218 1.453 1.032 1.00 0.00 O ATOM 455 CB LYS A 30 8.941 3.704 3.279 1.00 0.00 C ATOM 456 CG LYS A 30 10.383 3.472 2.822 1.00 0.00 C ATOM 457 CD LYS A 30 11.359 3.623 3.991 1.00 0.00 C ATOM 458 CE LYS A 30 12.385 2.487 3.999 1.00 0.00 C ATOM 459 NZ LYS A 30 12.372 1.787 5.302 1.00 0.00 N ATOM 0 H LYS A 30 6.756 4.852 3.253 1.00 0.00 H new ATOM 0 HA LYS A 30 8.510 3.956 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.854 4.692 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.678 2.977 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.476 2.475 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.638 4.183 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.873 4.582 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.808 3.627 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.162 1.782 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.380 2.886 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.074 1.019 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.607 2.460 6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.426 1.389 5.473 1.00 0.00 H new ATOM 473 N GLU A 31 6.442 1.745 2.402 1.00 0.00 N ATOM 474 CA GLU A 31 5.924 0.402 2.200 1.00 0.00 C ATOM 475 C GLU A 31 5.164 0.320 0.875 1.00 0.00 C ATOM 476 O GLU A 31 5.036 -0.758 0.295 1.00 0.00 O ATOM 477 CB GLU A 31 5.035 -0.024 3.370 1.00 0.00 C ATOM 478 CG GLU A 31 5.825 -0.045 4.680 1.00 0.00 C ATOM 479 CD GLU A 31 4.885 -0.067 5.887 1.00 0.00 C ATOM 480 OE1 GLU A 31 3.777 -0.624 5.733 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.296 0.474 6.936 1.00 0.00 O ATOM 0 H GLU A 31 5.890 2.324 3.035 1.00 0.00 H new ATOM 0 HA GLU A 31 6.766 -0.289 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.193 0.662 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.621 -1.013 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.474 -0.921 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.471 0.831 4.733 1.00 0.00 H new ATOM 488 N LEU A 32 4.680 1.471 0.435 1.00 0.00 N ATOM 489 CA LEU A 32 3.936 1.543 -0.811 1.00 0.00 C ATOM 490 C LEU A 32 4.917 1.616 -1.983 1.00 0.00 C ATOM 491 O LEU A 32 4.598 1.189 -3.092 1.00 0.00 O ATOM 492 CB LEU A 32 2.936 2.701 -0.773 1.00 0.00 C ATOM 493 CG LEU A 32 1.763 2.606 -1.750 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.539 1.980 -1.078 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.445 3.974 -2.359 1.00 0.00 C ATOM 0 H LEU A 32 4.788 2.362 0.919 1.00 0.00 H new ATOM 0 HA LEU A 32 3.339 0.642 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.536 2.776 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.475 3.627 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 32 2.053 1.948 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.281 1.924 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.787 0.977 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.237 2.593 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.607 3.879 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.183 4.674 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.318 4.345 -2.896 1.00 0.00 H new ATOM 507 N GLY A 33 6.091 2.160 -1.697 1.00 0.00 N ATOM 508 CA GLY A 33 7.120 2.295 -2.713 1.00 0.00 C ATOM 509 C GLY A 33 8.122 1.140 -2.636 1.00 0.00 C ATOM 510 O GLY A 33 9.074 1.086 -3.412 1.00 0.00 O ATOM 0 H GLY A 33 6.352 2.512 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.660 2.317 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.642 3.243 -2.583 1.00 0.00 H new ATOM 514 N THR A 34 7.872 0.245 -1.691 1.00 0.00 N ATOM 515 CA THR A 34 8.740 -0.905 -1.501 1.00 0.00 C ATOM 516 C THR A 34 8.368 -2.020 -2.480 1.00 0.00 C ATOM 517 O THR A 34 9.244 -2.692 -3.023 1.00 0.00 O ATOM 518 CB THR A 34 8.649 -1.329 -0.034 1.00 0.00 C ATOM 519 OG1 THR A 34 9.859 -0.845 0.542 1.00 0.00 O ATOM 520 CG2 THR A 34 8.732 -2.846 0.143 1.00 0.00 C ATOM 0 H THR A 34 7.081 0.293 -1.049 1.00 0.00 H new ATOM 0 HA THR A 34 9.779 -0.657 -1.718 1.00 0.00 H new ATOM 0 HB THR A 34 7.714 -0.965 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.713 0.055 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.663 -3.093 1.202 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.911 -3.321 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.682 -3.207 -0.252 1.00 0.00 H new ATOM 528 N VAL A 35 7.068 -2.183 -2.676 1.00 0.00 N ATOM 529 CA VAL A 35 6.569 -3.205 -3.580 1.00 0.00 C ATOM 530 C VAL A 35 6.814 -2.766 -5.025 1.00 0.00 C ATOM 531 O VAL A 35 6.912 -3.600 -5.923 1.00 0.00 O ATOM 532 CB VAL A 35 5.096 -3.493 -3.284 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.356 -3.927 -4.551 1.00 0.00 C ATOM 534 CG2 VAL A 35 4.954 -4.541 -2.179 1.00 0.00 C ATOM 0 H VAL A 35 6.345 -1.624 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 35 7.105 -4.142 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 35 4.639 -2.569 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.311 -4.125 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.414 -3.133 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.815 -4.832 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.897 -4.727 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.435 -5.468 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.428 -4.176 -1.268 1.00 0.00 H new ATOM 544 N MET A 36 6.905 -1.456 -5.204 1.00 0.00 N ATOM 545 CA MET A 36 7.136 -0.895 -6.524 1.00 0.00 C ATOM 546 C MET A 36 8.591 -1.089 -6.956 1.00 0.00 C ATOM 547 O MET A 36 8.863 -1.389 -8.117 1.00 0.00 O ATOM 548 CB MET A 36 6.802 0.598 -6.511 1.00 0.00 C ATOM 549 CG MET A 36 5.359 0.833 -6.057 1.00 0.00 C ATOM 550 SD MET A 36 4.448 1.680 -7.337 1.00 0.00 S ATOM 551 CE MET A 36 3.791 0.280 -8.228 1.00 0.00 C ATOM 0 H MET A 36 6.823 -0.767 -4.456 1.00 0.00 H new ATOM 0 HA MET A 36 6.493 -1.414 -7.235 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.487 1.122 -5.844 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.946 1.015 -7.508 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.881 -0.120 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.349 1.423 -5.140 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.191 0.632 -9.067 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.612 -0.332 -8.600 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.168 -0.316 -7.561 1.00 0.00 H new ATOM 561 N ARG A 37 9.488 -0.910 -5.997 1.00 0.00 N ATOM 562 CA ARG A 37 10.908 -1.062 -6.263 1.00 0.00 C ATOM 563 C ARG A 37 11.286 -2.544 -6.301 1.00 0.00 C ATOM 564 O ARG A 37 12.403 -2.894 -6.679 1.00 0.00 O ATOM 565 CB ARG A 37 11.747 -0.356 -5.195 1.00 0.00 C ATOM 566 CG ARG A 37 11.516 -0.980 -3.817 1.00 0.00 C ATOM 567 CD ARG A 37 12.311 -0.238 -2.740 1.00 0.00 C ATOM 568 NE ARG A 37 11.652 1.048 -2.421 1.00 0.00 N ATOM 569 CZ ARG A 37 12.038 1.865 -1.431 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.081 1.534 -0.658 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.381 3.013 -1.215 1.00 0.00 N ATOM 0 H ARG A 37 9.259 -0.661 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 37 11.114 -0.606 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.803 -0.421 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.490 0.703 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.454 -0.952 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.811 -2.029 -3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.383 -0.852 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.329 -0.059 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 37 10.854 1.330 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.581 0.660 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.375 2.156 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.587 3.265 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.675 3.635 -0.462 1.00 0.00 H new ATOM 585 N SER A 38 10.333 -3.375 -5.905 1.00 0.00 N ATOM 586 CA SER A 38 10.551 -4.811 -5.890 1.00 0.00 C ATOM 587 C SER A 38 10.308 -5.393 -7.284 1.00 0.00 C ATOM 588 O SER A 38 10.641 -6.548 -7.546 1.00 0.00 O ATOM 589 CB SER A 38 9.646 -5.495 -4.864 1.00 0.00 C ATOM 590 OG SER A 38 10.310 -6.562 -4.192 1.00 0.00 O ATOM 0 H SER A 38 9.408 -3.081 -5.592 1.00 0.00 H new ATOM 0 HA SER A 38 11.586 -4.996 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.308 -4.761 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.757 -5.879 -5.364 1.00 0.00 H new ATOM 0 HG SER A 38 9.699 -6.971 -3.545 1.00 0.00 H new ATOM 596 N LEU A 39 9.730 -4.565 -8.143 1.00 0.00 N ATOM 597 CA LEU A 39 9.439 -4.983 -9.504 1.00 0.00 C ATOM 598 C LEU A 39 10.382 -4.261 -10.467 1.00 0.00 C ATOM 599 O LEU A 39 11.350 -4.847 -10.950 1.00 0.00 O ATOM 600 CB LEU A 39 7.957 -4.775 -9.822 1.00 0.00 C ATOM 601 CG LEU A 39 7.282 -5.884 -10.633 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.504 -6.833 -9.720 1.00 0.00 C ATOM 603 CD2 LEU A 39 6.400 -5.297 -11.736 1.00 0.00 C ATOM 0 H LEU A 39 9.456 -3.608 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 39 9.620 -6.051 -9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.417 -4.660 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.851 -3.837 -10.368 1.00 0.00 H new ATOM 0 HG LEU A 39 8.059 -6.472 -11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.034 -7.612 -10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.187 -7.290 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.736 -6.275 -9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.932 -6.106 -12.297 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.627 -4.671 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.011 -4.695 -12.409 1.00 0.00 H new ATOM 615 N GLY A 40 10.067 -2.998 -10.718 1.00 0.00 N ATOM 616 CA GLY A 40 10.875 -2.190 -11.616 1.00 0.00 C ATOM 617 C GLY A 40 10.403 -0.735 -11.618 1.00 0.00 C ATOM 618 O GLY A 40 10.499 -0.048 -12.634 1.00 0.00 O ATOM 0 H GLY A 40 9.264 -2.515 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.921 -2.237 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.819 -2.596 -12.626 1.00 0.00 H new ATOM 622 N GLN A 41 9.903 -0.307 -10.467 1.00 0.00 N ATOM 623 CA GLN A 41 9.415 1.054 -10.324 1.00 0.00 C ATOM 624 C GLN A 41 10.112 1.746 -9.150 1.00 0.00 C ATOM 625 O GLN A 41 10.999 1.170 -8.523 1.00 0.00 O ATOM 626 CB GLN A 41 7.895 1.077 -10.150 1.00 0.00 C ATOM 627 CG GLN A 41 7.187 0.931 -11.498 1.00 0.00 C ATOM 628 CD GLN A 41 6.393 -0.375 -11.562 1.00 0.00 C ATOM 629 OE1 GLN A 41 6.941 -1.463 -11.626 1.00 0.00 O ATOM 630 NE2 GLN A 41 5.073 -0.207 -11.540 1.00 0.00 N ATOM 0 H GLN A 41 9.826 -0.879 -9.626 1.00 0.00 H new ATOM 0 HA GLN A 41 9.651 1.602 -11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.589 0.269 -9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.594 2.011 -9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.517 1.776 -11.654 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.922 0.954 -12.303 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.679 0.732 -11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.455 -1.018 -11.578 1.00 0.00 H new ATOM 639 N ASN A 42 9.683 2.973 -8.889 1.00 0.00 N ATOM 640 CA ASN A 42 10.254 3.749 -7.802 1.00 0.00 C ATOM 641 C ASN A 42 9.637 5.149 -7.801 1.00 0.00 C ATOM 642 O ASN A 42 10.308 6.127 -8.126 1.00 0.00 O ATOM 643 CB ASN A 42 11.768 3.900 -7.968 1.00 0.00 C ATOM 644 CG ASN A 42 12.444 4.169 -6.622 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.921 3.861 -5.563 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.631 4.759 -6.722 1.00 0.00 N ATOM 0 H ASN A 42 8.947 3.448 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 42 10.044 3.226 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.181 2.994 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.982 4.718 -8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.163 4.981 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.010 4.989 -7.640 1.00 0.00 H new ATOM 653 N PRO A 43 8.332 5.202 -7.423 1.00 0.00 N ATOM 654 CA PRO A 43 7.616 6.465 -7.376 1.00 0.00 C ATOM 655 C PRO A 43 8.038 7.289 -6.158 1.00 0.00 C ATOM 656 O PRO A 43 7.952 6.818 -5.025 1.00 0.00 O ATOM 657 CB PRO A 43 6.145 6.084 -7.355 1.00 0.00 C ATOM 658 CG PRO A 43 6.098 4.628 -6.922 1.00 0.00 C ATOM 659 CD PRO A 43 7.505 4.063 -7.032 1.00 0.00 C ATOM 0 HA PRO A 43 7.835 7.105 -8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.588 6.715 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.694 6.214 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.733 4.546 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.410 4.064 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.837 3.639 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.555 3.265 -7.773 1.00 0.00 H new ATOM 667 N THR A 44 8.485 8.506 -6.433 1.00 0.00 N ATOM 668 CA THR A 44 8.921 9.400 -5.373 1.00 0.00 C ATOM 669 C THR A 44 7.860 9.481 -4.274 1.00 0.00 C ATOM 670 O THR A 44 6.682 9.229 -4.523 1.00 0.00 O ATOM 671 CB THR A 44 9.248 10.756 -6.003 1.00 0.00 C ATOM 672 OG1 THR A 44 7.995 11.222 -6.495 1.00 0.00 O ATOM 673 CG2 THR A 44 10.115 10.625 -7.257 1.00 0.00 C ATOM 0 H THR A 44 8.555 8.894 -7.374 1.00 0.00 H new ATOM 0 HA THR A 44 9.821 9.026 -4.885 1.00 0.00 H new ATOM 0 HB THR A 44 9.759 11.382 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.115 12.098 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.318 11.616 -7.664 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.056 10.139 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.590 10.027 -8.002 1.00 0.00 H new ATOM 681 N GLU A 45 8.315 9.835 -3.081 1.00 0.00 N ATOM 682 CA GLU A 45 7.420 9.953 -1.943 1.00 0.00 C ATOM 683 C GLU A 45 6.237 10.860 -2.289 1.00 0.00 C ATOM 684 O GLU A 45 5.139 10.680 -1.766 1.00 0.00 O ATOM 685 CB GLU A 45 8.165 10.469 -0.711 1.00 0.00 C ATOM 686 CG GLU A 45 8.440 9.335 0.279 1.00 0.00 C ATOM 687 CD GLU A 45 9.843 9.458 0.876 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.297 10.613 1.028 1.00 0.00 O ATOM 689 OE2 GLU A 45 10.431 8.394 1.168 1.00 0.00 O ATOM 0 H GLU A 45 9.293 10.044 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 45 7.034 8.962 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.106 10.926 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.576 11.246 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.698 9.356 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.338 8.374 -0.225 1.00 0.00 H new ATOM 696 N ALA A 46 6.503 11.814 -3.169 1.00 0.00 N ATOM 697 CA ALA A 46 5.474 12.750 -3.592 1.00 0.00 C ATOM 698 C ALA A 46 4.375 11.990 -4.337 1.00 0.00 C ATOM 699 O ALA A 46 3.189 12.226 -4.111 1.00 0.00 O ATOM 700 CB ALA A 46 6.105 13.850 -4.447 1.00 0.00 C ATOM 0 H ALA A 46 7.416 11.959 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 46 5.015 13.232 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.334 14.552 -4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.858 14.378 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.574 13.405 -5.325 1.00 0.00 H new ATOM 706 N GLU A 47 4.808 11.093 -5.211 1.00 0.00 N ATOM 707 CA GLU A 47 3.876 10.297 -5.991 1.00 0.00 C ATOM 708 C GLU A 47 2.977 9.474 -5.066 1.00 0.00 C ATOM 709 O GLU A 47 1.762 9.659 -5.049 1.00 0.00 O ATOM 710 CB GLU A 47 4.618 9.396 -6.980 1.00 0.00 C ATOM 711 CG GLU A 47 3.635 8.644 -7.880 1.00 0.00 C ATOM 712 CD GLU A 47 3.683 9.181 -9.312 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.807 9.482 -9.768 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.594 9.278 -9.918 1.00 0.00 O ATOM 0 H GLU A 47 5.792 10.900 -5.396 1.00 0.00 H new ATOM 0 HA GLU A 47 3.246 10.973 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.290 9.998 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.236 8.683 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.875 7.581 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.624 8.744 -7.484 1.00 0.00 H new ATOM 721 N LEU A 48 3.611 8.581 -4.319 1.00 0.00 N ATOM 722 CA LEU A 48 2.884 7.729 -3.394 1.00 0.00 C ATOM 723 C LEU A 48 1.860 8.570 -2.629 1.00 0.00 C ATOM 724 O LEU A 48 0.661 8.301 -2.690 1.00 0.00 O ATOM 725 CB LEU A 48 3.856 6.971 -2.487 1.00 0.00 C ATOM 726 CG LEU A 48 4.900 6.106 -3.198 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.131 5.897 -2.314 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.292 4.780 -3.658 1.00 0.00 C ATOM 0 H LEU A 48 4.620 8.430 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 48 2.328 6.965 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.378 7.695 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.277 6.332 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 48 5.231 6.635 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.858 5.279 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.578 6.863 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.835 5.400 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.055 4.185 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.915 4.233 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.472 4.976 -4.349 1.00 0.00 H new ATOM 740 N GLN A 49 2.369 9.571 -1.927 1.00 0.00 N ATOM 741 CA GLN A 49 1.514 10.453 -1.152 1.00 0.00 C ATOM 742 C GLN A 49 0.240 10.780 -1.934 1.00 0.00 C ATOM 743 O GLN A 49 -0.858 10.749 -1.381 1.00 0.00 O ATOM 744 CB GLN A 49 2.257 11.731 -0.757 1.00 0.00 C ATOM 745 CG GLN A 49 1.907 12.149 0.673 1.00 0.00 C ATOM 746 CD GLN A 49 2.861 11.507 1.682 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.073 11.564 1.552 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.249 10.895 2.691 1.00 0.00 N ATOM 0 H GLN A 49 3.364 9.791 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 49 1.232 9.937 -0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.332 11.571 -0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.000 12.534 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.956 13.234 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.882 11.857 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.230 10.885 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.798 10.435 3.417 1.00 0.00 H new ATOM 757 N ASP A 50 0.429 11.085 -3.209 1.00 0.00 N ATOM 758 CA ASP A 50 -0.691 11.417 -4.074 1.00 0.00 C ATOM 759 C ASP A 50 -1.569 10.178 -4.262 1.00 0.00 C ATOM 760 O ASP A 50 -2.795 10.279 -4.277 1.00 0.00 O ATOM 761 CB ASP A 50 -0.207 11.868 -5.453 1.00 0.00 C ATOM 762 CG ASP A 50 -0.554 13.312 -5.821 1.00 0.00 C ATOM 763 OD1 ASP A 50 -1.766 13.590 -5.944 1.00 0.00 O ATOM 764 OD2 ASP A 50 0.401 14.105 -5.970 1.00 0.00 O ATOM 0 H ASP A 50 1.341 11.109 -3.665 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.250 12.227 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.875 11.748 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.633 11.205 -6.206 1.00 0.00 H new ATOM 769 N MET A 51 -0.907 9.039 -4.400 1.00 0.00 N ATOM 770 CA MET A 51 -1.612 7.782 -4.587 1.00 0.00 C ATOM 771 C MET A 51 -2.337 7.365 -3.305 1.00 0.00 C ATOM 772 O MET A 51 -3.543 7.123 -3.321 1.00 0.00 O ATOM 773 CB MET A 51 -0.616 6.692 -4.989 1.00 0.00 C ATOM 774 CG MET A 51 0.212 7.126 -6.200 1.00 0.00 C ATOM 775 SD MET A 51 1.667 6.103 -6.342 1.00 0.00 S ATOM 776 CE MET A 51 0.926 4.589 -6.931 1.00 0.00 C ATOM 0 H MET A 51 0.110 8.960 -4.386 1.00 0.00 H new ATOM 0 HA MET A 51 -2.354 7.916 -5.375 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.046 6.472 -4.151 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.152 5.772 -5.221 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.387 7.049 -7.107 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.501 8.172 -6.097 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.709 3.865 -7.159 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.269 4.183 -6.162 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.348 4.793 -7.832 1.00 0.00 H new ATOM 786 N ILE A 52 -1.571 7.293 -2.227 1.00 0.00 N ATOM 787 CA ILE A 52 -2.124 6.909 -0.940 1.00 0.00 C ATOM 788 C ILE A 52 -3.432 7.668 -0.705 1.00 0.00 C ATOM 789 O ILE A 52 -4.428 7.081 -0.286 1.00 0.00 O ATOM 790 CB ILE A 52 -1.090 7.107 0.170 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.093 5.947 0.204 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.771 7.318 1.523 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.434 5.718 1.622 1.00 0.00 C ATOM 0 H ILE A 52 -0.571 7.494 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.365 5.846 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.523 8.012 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.574 5.039 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.739 6.158 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.013 7.456 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.407 8.202 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.379 6.446 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.141 4.888 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.935 6.620 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.398 5.483 2.286 1.00 0.00 H new ATOM 805 N ASN A 53 -3.385 8.962 -0.985 1.00 0.00 N ATOM 806 CA ASN A 53 -4.553 9.808 -0.809 1.00 0.00 C ATOM 807 C ASN A 53 -5.743 9.188 -1.545 1.00 0.00 C ATOM 808 O ASN A 53 -6.877 9.265 -1.076 1.00 0.00 O ATOM 809 CB ASN A 53 -4.315 11.204 -1.388 1.00 0.00 C ATOM 810 CG ASN A 53 -4.067 12.224 -0.275 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.867 12.403 0.629 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.916 12.881 -0.390 1.00 0.00 N ATOM 0 H ASN A 53 -2.557 9.445 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.751 9.890 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.459 11.181 -2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.179 11.508 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.658 13.583 0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.291 12.683 -1.172 1.00 0.00 H new ATOM 819 N GLU A 54 -5.442 8.587 -2.688 1.00 0.00 N ATOM 820 CA GLU A 54 -6.472 7.954 -3.494 1.00 0.00 C ATOM 821 C GLU A 54 -7.112 6.796 -2.724 1.00 0.00 C ATOM 822 O GLU A 54 -8.292 6.502 -2.907 1.00 0.00 O ATOM 823 CB GLU A 54 -5.905 7.476 -4.831 1.00 0.00 C ATOM 824 CG GLU A 54 -5.237 8.627 -5.587 1.00 0.00 C ATOM 825 CD GLU A 54 -5.337 8.420 -7.100 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.486 7.672 -7.627 1.00 0.00 O ATOM 827 OE2 GLU A 54 -6.261 9.016 -7.694 1.00 0.00 O ATOM 0 H GLU A 54 -4.500 8.525 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.244 8.693 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.180 6.680 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.705 7.053 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.710 9.570 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.189 8.699 -5.295 1.00 0.00 H new ATOM 834 N VAL A 55 -6.304 6.172 -1.879 1.00 0.00 N ATOM 835 CA VAL A 55 -6.776 5.053 -1.081 1.00 0.00 C ATOM 836 C VAL A 55 -6.721 5.430 0.400 1.00 0.00 C ATOM 837 O VAL A 55 -6.454 4.582 1.250 1.00 0.00 O ATOM 838 CB VAL A 55 -5.966 3.797 -1.410 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.668 2.956 -2.478 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.545 4.160 -1.844 1.00 0.00 C ATOM 0 H VAL A 55 -5.326 6.420 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.815 4.824 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.896 3.196 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.071 2.070 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.650 2.653 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.783 3.545 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.990 3.250 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.586 4.792 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.045 4.697 -1.038 1.00 0.00 H new ATOM 850 N ASP A 56 -6.978 6.703 0.664 1.00 0.00 N ATOM 851 CA ASP A 56 -6.960 7.202 2.029 1.00 0.00 C ATOM 852 C ASP A 56 -7.779 8.492 2.105 1.00 0.00 C ATOM 853 O ASP A 56 -7.266 9.575 1.825 1.00 0.00 O ATOM 854 CB ASP A 56 -5.534 7.520 2.481 1.00 0.00 C ATOM 855 CG ASP A 56 -5.431 8.404 3.725 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.052 8.026 4.743 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.735 9.437 3.632 1.00 0.00 O ATOM 0 H ASP A 56 -7.200 7.403 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.379 6.431 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.013 6.582 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.010 8.011 1.661 1.00 0.00 H new ATOM 862 N ALA A 57 -9.038 8.335 2.487 1.00 0.00 N ATOM 863 CA ALA A 57 -9.932 9.474 2.604 1.00 0.00 C ATOM 864 C ALA A 57 -9.863 10.027 4.029 1.00 0.00 C ATOM 865 O ALA A 57 -10.420 11.086 4.315 1.00 0.00 O ATOM 866 CB ALA A 57 -11.350 9.053 2.210 1.00 0.00 C ATOM 0 H ALA A 57 -9.460 7.436 2.719 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.628 10.271 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.021 9.908 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.351 8.696 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.690 8.256 2.871 1.00 0.00 H new ATOM 872 N ASP A 58 -9.175 9.285 4.884 1.00 0.00 N ATOM 873 CA ASP A 58 -9.026 9.688 6.272 1.00 0.00 C ATOM 874 C ASP A 58 -7.916 10.736 6.378 1.00 0.00 C ATOM 875 O ASP A 58 -8.003 11.658 7.187 1.00 0.00 O ATOM 876 CB ASP A 58 -8.639 8.498 7.153 1.00 0.00 C ATOM 877 CG ASP A 58 -7.197 8.515 7.664 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.860 9.481 8.382 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.464 7.560 7.326 1.00 0.00 O ATOM 0 H ASP A 58 -8.715 8.407 4.643 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.980 10.091 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.312 8.465 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.798 7.580 6.588 1.00 0.00 H new ATOM 884 N GLY A 59 -6.897 10.558 5.550 1.00 0.00 N ATOM 885 CA GLY A 59 -5.771 11.476 5.540 1.00 0.00 C ATOM 886 C GLY A 59 -4.861 11.241 6.748 1.00 0.00 C ATOM 887 O GLY A 59 -4.284 12.183 7.287 1.00 0.00 O ATOM 0 H GLY A 59 -6.828 9.791 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.201 11.348 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.135 12.503 5.549 1.00 0.00 H new ATOM 891 N ASN A 60 -4.762 9.978 7.136 1.00 0.00 N ATOM 892 CA ASN A 60 -3.932 9.607 8.270 1.00 0.00 C ATOM 893 C ASN A 60 -2.463 9.608 7.843 1.00 0.00 C ATOM 894 O ASN A 60 -1.570 9.715 8.682 1.00 0.00 O ATOM 895 CB ASN A 60 -4.279 8.203 8.770 1.00 0.00 C ATOM 896 CG ASN A 60 -3.977 7.151 7.701 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.860 7.442 6.522 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.859 5.915 8.176 1.00 0.00 N ATOM 0 H ASN A 60 -5.242 9.199 6.686 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.109 10.328 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.709 7.983 9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.334 8.160 9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.659 5.142 7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.969 5.740 9.175 1.00 0.00 H new ATOM 905 N GLY A 61 -2.259 9.488 6.540 1.00 0.00 N ATOM 906 CA GLY A 61 -0.913 9.474 5.991 1.00 0.00 C ATOM 907 C GLY A 61 -0.525 8.069 5.528 1.00 0.00 C ATOM 908 O GLY A 61 0.272 7.914 4.603 1.00 0.00 O ATOM 0 H GLY A 61 -3.003 9.400 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.851 10.167 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.206 9.821 6.744 1.00 0.00 H new ATOM 912 N THR A 62 -1.105 7.080 6.191 1.00 0.00 N ATOM 913 CA THR A 62 -0.830 5.692 5.859 1.00 0.00 C ATOM 914 C THR A 62 -2.053 5.049 5.202 1.00 0.00 C ATOM 915 O THR A 62 -3.071 5.708 4.996 1.00 0.00 O ATOM 916 CB THR A 62 -0.381 4.980 7.136 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.545 4.976 7.959 1.00 0.00 O ATOM 918 CG2 THR A 62 0.637 5.796 7.935 1.00 0.00 C ATOM 0 H THR A 62 -1.765 7.212 6.957 1.00 0.00 H new ATOM 0 HA THR A 62 -0.027 5.612 5.126 1.00 0.00 H new ATOM 0 HB THR A 62 0.051 4.013 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.831 4.052 8.117 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.922 5.245 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.521 5.975 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.194 6.750 8.221 1.00 0.00 H new ATOM 926 N ILE A 63 -1.912 3.769 4.890 1.00 0.00 N ATOM 927 CA ILE A 63 -2.992 3.029 4.260 1.00 0.00 C ATOM 928 C ILE A 63 -3.367 1.834 5.140 1.00 0.00 C ATOM 929 O ILE A 63 -2.505 1.242 5.788 1.00 0.00 O ATOM 930 CB ILE A 63 -2.614 2.643 2.829 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.338 3.887 1.981 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.685 1.749 2.201 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.477 4.142 0.992 1.00 0.00 C ATOM 0 H ILE A 63 -1.066 3.226 5.062 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.881 3.654 4.173 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.691 2.064 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.215 4.754 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.402 3.760 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.392 1.489 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.791 0.839 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.636 2.281 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.255 5.032 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.582 3.284 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.407 4.293 1.540 1.00 0.00 H new ATOM 945 N ASP A 64 -4.653 1.516 5.134 1.00 0.00 N ATOM 946 CA ASP A 64 -5.152 0.403 5.923 1.00 0.00 C ATOM 947 C ASP A 64 -5.647 -0.700 4.986 1.00 0.00 C ATOM 948 O ASP A 64 -5.420 -0.641 3.778 1.00 0.00 O ATOM 949 CB ASP A 64 -6.325 0.835 6.805 1.00 0.00 C ATOM 950 CG ASP A 64 -6.035 2.015 7.735 1.00 0.00 C ATOM 951 OD1 ASP A 64 -5.664 3.082 7.200 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.190 1.823 8.960 1.00 0.00 O ATOM 0 H ASP A 64 -5.364 2.010 4.595 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.338 0.046 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.166 1.096 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.638 -0.016 7.410 1.00 0.00 H new ATOM 957 N PHE A 65 -6.312 -1.681 5.577 1.00 0.00 N ATOM 958 CA PHE A 65 -6.841 -2.796 4.810 1.00 0.00 C ATOM 959 C PHE A 65 -8.105 -2.389 4.051 1.00 0.00 C ATOM 960 O PHE A 65 -8.258 -2.711 2.874 1.00 0.00 O ATOM 961 CB PHE A 65 -7.193 -3.900 5.809 1.00 0.00 C ATOM 962 CG PHE A 65 -7.501 -5.251 5.161 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.722 -5.711 4.145 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.552 -5.993 5.602 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.008 -6.965 3.544 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.838 -7.247 5.000 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.059 -7.707 3.984 1.00 0.00 C ATOM 0 H PHE A 65 -6.497 -1.727 6.579 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.103 -3.128 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.364 -4.023 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.057 -3.584 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.886 -5.123 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.169 -5.629 6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.390 -7.330 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.674 -7.835 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.275 -8.661 3.527 1.00 0.00 H new ATOM 977 N PRO A 66 -9.003 -1.669 4.775 1.00 0.00 N ATOM 978 CA PRO A 66 -10.250 -1.214 4.182 1.00 0.00 C ATOM 979 C PRO A 66 -10.010 -0.033 3.239 1.00 0.00 C ATOM 980 O PRO A 66 -10.892 0.337 2.466 1.00 0.00 O ATOM 981 CB PRO A 66 -11.140 -0.861 5.362 1.00 0.00 C ATOM 982 CG PRO A 66 -10.209 -0.688 6.551 1.00 0.00 C ATOM 983 CD PRO A 66 -8.856 -1.269 6.171 1.00 0.00 C ATOM 0 HA PRO A 66 -10.721 -1.973 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.700 0.054 5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.870 -1.648 5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.113 0.366 6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.610 -1.197 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.061 -0.533 6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.599 -2.120 6.802 1.00 0.00 H new ATOM 991 N GLU A 67 -8.812 0.525 3.334 1.00 0.00 N ATOM 992 CA GLU A 67 -8.445 1.656 2.499 1.00 0.00 C ATOM 993 C GLU A 67 -7.696 1.176 1.255 1.00 0.00 C ATOM 994 O GLU A 67 -7.719 1.838 0.218 1.00 0.00 O ATOM 995 CB GLU A 67 -7.611 2.670 3.285 1.00 0.00 C ATOM 996 CG GLU A 67 -8.126 2.809 4.719 1.00 0.00 C ATOM 997 CD GLU A 67 -9.056 4.016 4.853 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.260 3.840 4.566 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.542 5.088 5.239 1.00 0.00 O ATOM 0 H GLU A 67 -8.083 0.215 3.977 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.358 2.157 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.567 2.356 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.646 3.639 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.657 1.902 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.284 2.917 5.403 1.00 0.00 H new ATOM 1006 N PHE A 68 -7.048 0.029 1.398 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.293 -0.547 0.299 1.00 0.00 C ATOM 1008 C PHE A 68 -7.158 -1.513 -0.514 1.00 0.00 C ATOM 1009 O PHE A 68 -7.052 -1.568 -1.738 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.126 -1.321 0.915 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.673 -2.526 0.088 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.413 -3.667 0.086 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.529 -2.456 -0.645 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.993 -4.785 -0.681 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.109 -3.575 -1.413 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.850 -4.715 -1.414 1.00 0.00 C ATOM 0 H PHE A 68 -7.031 -0.517 2.259 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.950 0.242 -0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.282 -0.644 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.415 -1.663 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.321 -3.722 0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.941 -1.550 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.581 -5.691 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.201 -3.520 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.530 -5.566 -1.998 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.995 -2.251 0.201 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.878 -3.212 -0.439 1.00 0.00 C ATOM 1028 C LEU A 69 -9.398 -2.625 -1.752 1.00 0.00 C ATOM 1029 O LEU A 69 -9.470 -3.323 -2.763 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.986 -3.645 0.524 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.628 -4.770 1.497 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.528 -4.732 2.733 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.668 -6.131 0.799 1.00 0.00 C ATOM 0 H LEU A 69 -8.080 -2.203 1.216 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.333 -4.122 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.296 -2.776 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.848 -3.961 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.605 -4.614 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.253 -5.542 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.405 -3.777 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.568 -4.850 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.410 -6.914 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.670 -6.311 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.953 -6.139 -0.023 1.00 0.00 H new ATOM 1045 N THR A 70 -9.748 -1.348 -1.695 1.00 0.00 N ATOM 1046 CA THR A 70 -10.259 -0.659 -2.867 1.00 0.00 C ATOM 1047 C THR A 70 -9.260 -0.755 -4.021 1.00 0.00 C ATOM 1048 O THR A 70 -9.627 -1.122 -5.137 1.00 0.00 O ATOM 1049 CB THR A 70 -10.586 0.780 -2.465 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.908 1.421 -3.696 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.358 1.540 -1.959 1.00 0.00 C ATOM 0 H THR A 70 -9.687 -0.773 -0.855 1.00 0.00 H new ATOM 0 HA THR A 70 -11.174 -1.126 -3.232 1.00 0.00 H new ATOM 0 HB THR A 70 -11.354 0.774 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.134 2.359 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.645 2.556 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.950 1.032 -1.085 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.602 1.574 -2.744 1.00 0.00 H new ATOM 1059 N MET A 71 -8.015 -0.420 -3.713 1.00 0.00 N ATOM 1060 CA MET A 71 -6.960 -0.463 -4.711 1.00 0.00 C ATOM 1061 C MET A 71 -7.062 -1.731 -5.562 1.00 0.00 C ATOM 1062 O MET A 71 -7.074 -1.659 -6.790 1.00 0.00 O ATOM 1063 CB MET A 71 -5.598 -0.424 -4.015 1.00 0.00 C ATOM 1064 CG MET A 71 -4.718 0.686 -4.595 1.00 0.00 C ATOM 1065 SD MET A 71 -3.243 -0.018 -5.313 1.00 0.00 S ATOM 1066 CE MET A 71 -3.188 0.883 -6.853 1.00 0.00 C ATOM 0 H MET A 71 -7.714 -0.118 -2.787 1.00 0.00 H new ATOM 0 HA MET A 71 -7.069 0.402 -5.366 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.736 -0.262 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.099 -1.386 -4.130 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.271 1.242 -5.352 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.449 1.395 -3.812 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.320 0.564 -7.430 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.096 0.685 -7.423 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.114 1.951 -6.647 1.00 0.00 H new ATOM 1076 N MET A 72 -7.133 -2.862 -4.875 1.00 0.00 N ATOM 1077 CA MET A 72 -7.233 -4.143 -5.553 1.00 0.00 C ATOM 1078 C MET A 72 -8.468 -4.191 -6.455 1.00 0.00 C ATOM 1079 O MET A 72 -8.376 -4.572 -7.621 1.00 0.00 O ATOM 1080 CB MET A 72 -7.315 -5.265 -4.515 1.00 0.00 C ATOM 1081 CG MET A 72 -6.036 -5.331 -3.678 1.00 0.00 C ATOM 1082 SD MET A 72 -5.195 -6.879 -3.970 1.00 0.00 S ATOM 1083 CE MET A 72 -3.885 -6.322 -5.047 1.00 0.00 C ATOM 0 H MET A 72 -7.123 -2.918 -3.857 1.00 0.00 H new ATOM 0 HA MET A 72 -6.347 -4.274 -6.174 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.173 -5.100 -3.863 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.475 -6.219 -5.017 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.381 -4.498 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.278 -5.233 -2.620 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.260 -7.170 -5.328 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.316 -5.876 -5.944 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.278 -5.580 -4.528 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.596 -3.800 -5.881 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.848 -3.793 -6.618 1.00 0.00 C ATOM 1095 C ALA A 73 -10.644 -3.080 -7.956 1.00 0.00 C ATOM 1096 O ALA A 73 -11.098 -3.558 -8.994 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.938 -3.137 -5.768 1.00 0.00 C ATOM 0 H ALA A 73 -9.669 -3.486 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.171 -4.811 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.877 -3.132 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.065 -3.699 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.649 -2.112 -5.534 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.960 -1.947 -7.887 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.690 -1.163 -9.080 1.00 0.00 C ATOM 1105 C ARG A 74 -8.183 -1.088 -9.336 1.00 0.00 C ATOM 1106 O ARG A 74 -7.579 -0.025 -9.203 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.248 0.255 -8.946 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.584 0.998 -7.785 1.00 0.00 C ATOM 1109 CD ARG A 74 -8.971 2.318 -8.258 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.345 3.411 -7.333 1.00 0.00 N ATOM 1111 CZ ARG A 74 -8.741 4.606 -7.298 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -7.729 4.870 -8.136 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -9.148 5.537 -6.425 1.00 0.00 N ATOM 0 H ARG A 74 -9.585 -1.554 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.181 -1.657 -9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.085 0.803 -9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.325 0.212 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.320 1.193 -7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.810 0.371 -7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.886 2.227 -8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.317 2.549 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.111 3.244 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.419 4.161 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.269 5.780 -8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.918 5.336 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.688 6.447 -6.398 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.619 -2.231 -9.699 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.195 -2.308 -9.975 1.00 0.00 C ATOM 1129 C LYS A 75 -5.889 -1.554 -11.271 1.00 0.00 C ATOM 1130 O LYS A 75 -6.800 -1.206 -12.020 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.729 -3.766 -9.987 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.208 -4.164 -11.369 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.008 -5.677 -11.465 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.488 -6.210 -12.816 1.00 0.00 C ATOM 1135 NZ LYS A 75 -4.551 -5.813 -13.892 1.00 0.00 N ATOM 1136 OXT LYS A 75 -4.603 -1.324 -11.494 1.00 0.00 O ATOM 0 H LYS A 75 -8.123 -3.111 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.627 -1.822 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.944 -3.907 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.556 -4.418 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.912 -3.837 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.264 -3.656 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.953 -5.917 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.553 -6.171 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.568 -7.296 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.484 -5.825 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.891 -6.183 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.495 -4.776 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.607 -6.202 -13.692 1.00 0.00 H new