USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 653 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 Single : A 18 THR OG1 : rot 180:sc=-0.00896 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.74! K(o=-5.7!,f=-4.1) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 83 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.29) USER MOD Single : A 84 HIS : no HD1:sc= -4.4! K(o=-4.4!,f=-3.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.303 USER MOD Single : A 98 GLN : amide:sc=-0.00366 X(o=-0.0037,f=-0.4) USER MOD Single : A 99 MET CE :methyl -134:sc= -8.7! (180deg=-12.5!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -7.975 -6.435 -16.630 1.00 0.00 N ATOM 149 CA GLU A 13 -7.150 -6.816 -15.496 1.00 0.00 C ATOM 150 C GLU A 13 -6.308 -5.628 -15.029 1.00 0.00 C ATOM 151 O GLU A 13 -5.790 -4.869 -15.847 1.00 0.00 O ATOM 152 CB GLU A 13 -6.264 -8.014 -15.842 1.00 0.00 C ATOM 153 CG GLU A 13 -5.155 -7.613 -16.817 1.00 0.00 C ATOM 154 CD GLU A 13 -4.289 -8.818 -17.189 1.00 0.00 C ATOM 155 OE1 GLU A 13 -3.293 -9.045 -16.469 1.00 0.00 O ATOM 156 OE2 GLU A 13 -4.642 -9.484 -18.185 1.00 0.00 O ATOM 0 HA GLU A 13 -7.806 -7.115 -14.678 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.823 -8.420 -14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.871 -8.805 -16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.595 -7.185 -17.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.533 -6.839 -16.367 1.00 0.00 H new ATOM 163 N GLU A 14 -6.197 -5.502 -13.714 1.00 0.00 N ATOM 164 CA GLU A 14 -5.426 -4.419 -13.128 1.00 0.00 C ATOM 165 C GLU A 14 -4.169 -4.153 -13.958 1.00 0.00 C ATOM 166 O GLU A 14 -3.626 -5.065 -14.579 1.00 0.00 O ATOM 167 CB GLU A 14 -5.068 -4.726 -11.673 1.00 0.00 C ATOM 168 CG GLU A 14 -6.205 -4.323 -10.732 1.00 0.00 C ATOM 169 CD GLU A 14 -7.214 -5.462 -10.571 1.00 0.00 C ATOM 170 OE1 GLU A 14 -6.757 -6.625 -10.544 1.00 0.00 O ATOM 171 OE2 GLU A 14 -8.419 -5.144 -10.479 1.00 0.00 O ATOM 0 H GLU A 14 -6.628 -6.132 -13.038 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.039 -3.518 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.860 -5.790 -11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.158 -4.193 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.797 -4.053 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.709 -3.439 -11.122 1.00 0.00 H new ATOM 178 N GLU A 15 -3.742 -2.898 -13.942 1.00 0.00 N ATOM 179 CA GLU A 15 -2.559 -2.501 -14.685 1.00 0.00 C ATOM 180 C GLU A 15 -1.506 -1.923 -13.737 1.00 0.00 C ATOM 181 O GLU A 15 -1.801 -1.634 -12.578 1.00 0.00 O ATOM 182 CB GLU A 15 -2.914 -1.499 -15.786 1.00 0.00 C ATOM 183 CG GLU A 15 -3.810 -0.384 -15.245 1.00 0.00 C ATOM 184 CD GLU A 15 -3.941 0.755 -16.258 1.00 0.00 C ATOM 185 OE1 GLU A 15 -4.718 0.572 -17.220 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.260 1.782 -16.049 1.00 0.00 O ATOM 0 H GLU A 15 -4.195 -2.144 -13.426 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.141 -3.386 -15.165 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.002 -1.069 -16.199 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.421 -2.014 -16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.797 -0.785 -15.014 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.396 -0.000 -14.313 1.00 0.00 H new ATOM 193 N GLU A 16 -0.300 -1.772 -14.264 1.00 0.00 N ATOM 194 CA GLU A 16 0.798 -1.234 -13.479 1.00 0.00 C ATOM 195 C GLU A 16 0.775 0.295 -13.513 1.00 0.00 C ATOM 196 O GLU A 16 0.518 0.893 -14.557 1.00 0.00 O ATOM 197 CB GLU A 16 2.142 -1.774 -13.974 1.00 0.00 C ATOM 198 CG GLU A 16 2.413 -3.170 -13.411 1.00 0.00 C ATOM 199 CD GLU A 16 2.835 -4.136 -14.519 1.00 0.00 C ATOM 200 OE1 GLU A 16 2.243 -4.035 -15.616 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.740 -4.954 -14.245 1.00 0.00 O ATOM 0 H GLU A 16 -0.059 -2.013 -15.225 1.00 0.00 H new ATOM 0 HA GLU A 16 0.673 -1.557 -12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.144 -1.811 -15.063 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.942 -1.096 -13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.195 -3.115 -12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.517 -3.547 -12.917 1.00 0.00 H new ATOM 208 N LEU A 17 1.048 0.885 -12.359 1.00 0.00 N ATOM 209 CA LEU A 17 1.062 2.333 -12.243 1.00 0.00 C ATOM 210 C LEU A 17 2.259 2.761 -11.391 1.00 0.00 C ATOM 211 O LEU A 17 2.743 1.991 -10.563 1.00 0.00 O ATOM 212 CB LEU A 17 -0.281 2.842 -11.715 1.00 0.00 C ATOM 213 CG LEU A 17 -1.495 1.959 -12.010 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.615 2.212 -11.000 1.00 0.00 C ATOM 215 CD2 LEU A 17 -1.971 2.145 -13.453 1.00 0.00 C ATOM 0 H LEU A 17 1.261 0.386 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 17 1.187 2.792 -13.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.201 2.966 -10.635 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.464 3.830 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.194 0.917 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.466 1.572 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.256 1.988 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.922 3.257 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.835 1.506 -13.636 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.250 3.187 -13.613 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.168 1.875 -14.139 1.00 0.00 H new ATOM 227 N THR A 18 2.703 3.988 -11.625 1.00 0.00 N ATOM 228 CA THR A 18 3.834 4.527 -10.889 1.00 0.00 C ATOM 229 C THR A 18 3.470 5.876 -10.265 1.00 0.00 C ATOM 230 O THR A 18 3.381 6.883 -10.964 1.00 0.00 O ATOM 231 CB THR A 18 5.027 4.602 -11.845 1.00 0.00 C ATOM 232 OG1 THR A 18 4.869 3.463 -12.687 1.00 0.00 O ATOM 233 CG2 THR A 18 6.361 4.358 -11.136 1.00 0.00 C ATOM 0 H THR A 18 2.300 4.624 -12.314 1.00 0.00 H new ATOM 0 HA THR A 18 4.107 3.881 -10.054 1.00 0.00 H new ATOM 0 HB THR A 18 5.045 5.579 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.600 3.434 -13.339 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.174 4.422 -11.859 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.504 5.111 -10.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.356 3.367 -10.683 1.00 0.00 H new ATOM 241 N LEU A 19 3.270 5.850 -8.955 1.00 0.00 N ATOM 242 CA LEU A 19 2.918 7.059 -8.229 1.00 0.00 C ATOM 243 C LEU A 19 4.191 7.709 -7.682 1.00 0.00 C ATOM 244 O LEU A 19 5.237 7.067 -7.609 1.00 0.00 O ATOM 245 CB LEU A 19 1.874 6.752 -7.154 1.00 0.00 C ATOM 246 CG LEU A 19 0.960 7.913 -6.756 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.010 8.260 -7.887 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.228 7.611 -5.446 1.00 0.00 C ATOM 0 H LEU A 19 3.345 5.012 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 19 2.452 7.783 -8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.251 5.929 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.392 6.401 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 19 1.581 8.792 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.648 9.088 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.554 8.548 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.628 7.392 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.415 8.452 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.379 6.714 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.956 7.451 -4.651 1.00 0.00 H new ATOM 260 N THR A 20 4.058 8.974 -7.313 1.00 0.00 N ATOM 261 CA THR A 20 5.185 9.719 -6.775 1.00 0.00 C ATOM 262 C THR A 20 4.755 10.520 -5.545 1.00 0.00 C ATOM 263 O THR A 20 3.826 11.322 -5.615 1.00 0.00 O ATOM 264 CB THR A 20 5.756 10.587 -7.897 1.00 0.00 C ATOM 265 OG1 THR A 20 5.824 9.708 -9.017 1.00 0.00 O ATOM 266 CG2 THR A 20 7.212 10.984 -7.647 1.00 0.00 C ATOM 0 H THR A 20 3.188 9.503 -7.376 1.00 0.00 H new ATOM 0 HA THR A 20 5.973 9.050 -6.429 1.00 0.00 H new ATOM 0 HB THR A 20 5.148 11.485 -8.005 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.183 10.191 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.568 11.599 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.281 11.549 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.826 10.087 -7.572 1.00 0.00 H new ATOM 274 N ILE A 21 5.454 10.275 -4.446 1.00 0.00 N ATOM 275 CA ILE A 21 5.157 10.964 -3.201 1.00 0.00 C ATOM 276 C ILE A 21 6.354 11.831 -2.805 1.00 0.00 C ATOM 277 O ILE A 21 7.493 11.515 -3.145 1.00 0.00 O ATOM 278 CB ILE A 21 4.737 9.964 -2.122 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.569 9.100 -2.601 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.421 10.678 -0.806 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.669 7.681 -2.036 1.00 0.00 C ATOM 0 H ILE A 21 6.225 9.609 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 21 4.307 11.634 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 21 5.576 9.294 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.627 9.553 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.563 9.062 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.125 9.944 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.306 11.213 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.607 11.386 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.827 7.088 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.601 7.223 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.650 7.721 -0.947 1.00 0.00 H new ATOM 293 N LEU A 22 6.055 12.906 -2.091 1.00 0.00 N ATOM 294 CA LEU A 22 7.092 13.820 -1.644 1.00 0.00 C ATOM 295 C LEU A 22 7.364 13.589 -0.156 1.00 0.00 C ATOM 296 O LEU A 22 6.433 13.402 0.626 1.00 0.00 O ATOM 297 CB LEU A 22 6.716 15.264 -1.984 1.00 0.00 C ATOM 298 CG LEU A 22 7.527 15.923 -3.102 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.163 17.402 -3.244 1.00 0.00 C ATOM 300 CD2 LEU A 22 9.028 15.721 -2.883 1.00 0.00 C ATOM 0 H LEU A 22 5.109 13.165 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 22 8.025 13.625 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.663 15.288 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.820 15.868 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 22 7.270 15.436 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.753 17.847 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.103 17.495 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.373 17.920 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.581 16.199 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.320 16.165 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.254 14.655 -2.870 1.00 0.00 H new ATOM 312 N ARG A 23 8.643 13.609 0.189 1.00 0.00 N ATOM 313 CA ARG A 23 9.048 13.404 1.569 1.00 0.00 C ATOM 314 C ARG A 23 9.060 14.735 2.322 1.00 0.00 C ATOM 315 O ARG A 23 9.751 15.672 1.925 1.00 0.00 O ATOM 316 CB ARG A 23 10.439 12.770 1.646 1.00 0.00 C ATOM 317 CG ARG A 23 10.375 11.270 1.354 1.00 0.00 C ATOM 318 CD ARG A 23 11.211 10.479 2.362 1.00 0.00 C ATOM 319 NE ARG A 23 10.723 9.084 2.441 1.00 0.00 N ATOM 320 CZ ARG A 23 11.190 8.173 3.305 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.160 8.503 4.169 1.00 0.00 N ATOM 322 NH2 ARG A 23 10.687 6.931 3.306 1.00 0.00 N ATOM 0 H ARG A 23 9.412 13.764 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 23 8.327 12.729 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.104 13.255 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.863 12.933 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.339 10.933 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.737 11.077 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.260 10.490 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.153 10.949 3.344 1.00 0.00 H new ATOM 0 HE ARG A 23 9.985 8.798 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.543 9.448 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.515 7.809 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.949 6.679 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.043 6.237 3.964 1.00 0.00 H new ATOM 381 N LEU A 28 5.471 9.958 3.339 1.00 0.00 N ATOM 382 CA LEU A 28 4.406 9.062 2.922 1.00 0.00 C ATOM 383 C LEU A 28 3.461 8.817 4.100 1.00 0.00 C ATOM 384 O LEU A 28 3.901 8.447 5.187 1.00 0.00 O ATOM 385 CB LEU A 28 4.988 7.780 2.323 1.00 0.00 C ATOM 386 CG LEU A 28 5.961 7.965 1.158 1.00 0.00 C ATOM 387 CD1 LEU A 28 7.193 8.761 1.594 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.339 6.618 0.539 1.00 0.00 C ATOM 0 HA LEU A 28 3.814 9.517 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.500 7.233 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.163 7.153 1.985 1.00 0.00 H new ATOM 0 HG LEU A 28 5.459 8.545 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.869 8.878 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.884 9.744 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.705 8.229 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.032 6.779 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.814 5.991 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.441 6.123 0.169 1.00 0.00 H new ATOM 400 N GLY A 29 2.179 9.033 3.844 1.00 0.00 N ATOM 401 CA GLY A 29 1.168 8.841 4.869 1.00 0.00 C ATOM 402 C GLY A 29 0.233 7.685 4.508 1.00 0.00 C ATOM 403 O GLY A 29 -0.979 7.869 4.412 1.00 0.00 O ATOM 0 H GLY A 29 1.817 9.339 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.649 8.639 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.590 9.757 4.990 1.00 0.00 H new ATOM 407 N ILE A 30 0.832 6.519 4.316 1.00 0.00 N ATOM 408 CA ILE A 30 0.068 5.333 3.967 1.00 0.00 C ATOM 409 C ILE A 30 0.537 4.158 4.827 1.00 0.00 C ATOM 410 O ILE A 30 1.624 4.199 5.401 1.00 0.00 O ATOM 411 CB ILE A 30 0.152 5.066 2.462 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.606 5.068 1.985 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.709 6.060 1.680 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.045 3.665 1.560 1.00 0.00 C ATOM 0 H ILE A 30 1.838 6.370 4.396 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.990 5.484 4.183 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.249 4.071 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.717 5.757 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.254 5.430 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.631 5.848 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.749 5.966 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.361 7.074 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.082 3.694 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.956 2.984 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.410 3.316 0.745 1.00 0.00 H new ATOM 426 N SER A 31 -0.307 3.138 4.889 1.00 0.00 N ATOM 427 CA SER A 31 0.008 1.954 5.670 1.00 0.00 C ATOM 428 C SER A 31 0.021 0.720 4.766 1.00 0.00 C ATOM 429 O SER A 31 -0.667 0.685 3.747 1.00 0.00 O ATOM 430 CB SER A 31 -0.993 1.765 6.812 1.00 0.00 C ATOM 431 OG SER A 31 -0.459 2.183 8.065 1.00 0.00 O ATOM 0 H SER A 31 -1.208 3.107 4.411 1.00 0.00 H new ATOM 0 HA SER A 31 0.997 2.086 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.899 2.331 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.280 0.715 6.872 1.00 0.00 H new ATOM 0 HG SER A 31 -1.129 2.048 8.767 1.00 0.00 H new ATOM 437 N ILE A 32 0.811 -0.263 5.172 1.00 0.00 N ATOM 438 CA ILE A 32 0.922 -1.496 4.411 1.00 0.00 C ATOM 439 C ILE A 32 0.363 -2.655 5.240 1.00 0.00 C ATOM 440 O ILE A 32 0.320 -2.580 6.467 1.00 0.00 O ATOM 441 CB ILE A 32 2.364 -1.712 3.948 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.304 -1.886 5.143 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.818 -0.580 3.023 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.574 -2.636 4.737 1.00 0.00 C ATOM 0 H ILE A 32 1.380 -0.231 6.018 1.00 0.00 H new ATOM 0 HA ILE A 32 0.324 -1.436 3.501 1.00 0.00 H new ATOM 0 HB ILE A 32 2.402 -2.636 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.568 -0.909 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.793 -2.432 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.846 -0.758 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.171 -0.545 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.760 0.370 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.225 -2.746 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.308 -3.622 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.095 -2.075 3.961 1.00 0.00 H new ATOM 456 N ALA A 33 -0.050 -3.698 4.537 1.00 0.00 N ATOM 457 CA ALA A 33 -0.605 -4.870 5.193 1.00 0.00 C ATOM 458 C ALA A 33 -0.436 -6.087 4.281 1.00 0.00 C ATOM 459 O ALA A 33 -0.931 -6.097 3.155 1.00 0.00 O ATOM 460 CB ALA A 33 -2.069 -4.610 5.552 1.00 0.00 C ATOM 0 H ALA A 33 -0.012 -3.757 3.519 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.074 -5.077 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.485 -5.489 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.132 -3.754 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.635 -4.401 4.644 1.00 0.00 H new ATOM 466 N GLY A 34 0.265 -7.084 4.802 1.00 0.00 N ATOM 467 CA GLY A 34 0.505 -8.303 4.049 1.00 0.00 C ATOM 468 C GLY A 34 1.963 -8.751 4.180 1.00 0.00 C ATOM 469 O GLY A 34 2.499 -8.813 5.285 1.00 0.00 O ATOM 0 H GLY A 34 0.674 -7.072 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.155 -9.092 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.264 -8.139 2.999 1.00 0.00 H new ATOM 473 N GLY A 35 2.562 -9.051 3.037 1.00 0.00 N ATOM 474 CA GLY A 35 3.946 -9.491 3.011 1.00 0.00 C ATOM 475 C GLY A 35 4.044 -11.006 3.204 1.00 0.00 C ATOM 476 O GLY A 35 3.330 -11.578 4.026 1.00 0.00 O ATOM 0 H GLY A 35 2.114 -8.998 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.402 -9.212 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.507 -8.984 3.796 1.00 0.00 H new ATOM 480 N LYS A 36 4.934 -11.612 2.432 1.00 0.00 N ATOM 481 CA LYS A 36 5.135 -13.049 2.508 1.00 0.00 C ATOM 482 C LYS A 36 5.206 -13.473 3.976 1.00 0.00 C ATOM 483 O LYS A 36 5.862 -12.817 4.784 1.00 0.00 O ATOM 484 CB LYS A 36 6.358 -13.463 1.688 1.00 0.00 C ATOM 485 CG LYS A 36 6.547 -14.981 1.712 1.00 0.00 C ATOM 486 CD LYS A 36 7.818 -15.388 0.964 1.00 0.00 C ATOM 487 CE LYS A 36 7.602 -15.340 -0.550 1.00 0.00 C ATOM 488 NZ LYS A 36 7.588 -16.707 -1.116 1.00 0.00 N ATOM 0 H LYS A 36 5.524 -11.134 1.751 1.00 0.00 H new ATOM 0 HA LYS A 36 4.290 -13.576 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.242 -13.124 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.248 -12.976 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.601 -15.328 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.683 -15.466 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.636 -14.722 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.113 -16.394 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.660 -14.838 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.394 -14.755 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.440 -16.656 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.497 -17.173 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.817 -17.254 -0.683 1.00 0.00 H new ATOM 502 N GLY A 37 4.523 -14.568 4.277 1.00 0.00 N ATOM 503 CA GLY A 37 4.501 -15.087 5.633 1.00 0.00 C ATOM 504 C GLY A 37 3.251 -14.618 6.380 1.00 0.00 C ATOM 505 O GLY A 37 2.457 -15.435 6.845 1.00 0.00 O ATOM 0 H GLY A 37 3.981 -15.110 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.528 -16.176 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.393 -14.758 6.167 1.00 0.00 H new ATOM 509 N SER A 38 3.115 -13.303 6.472 1.00 0.00 N ATOM 510 CA SER A 38 1.975 -12.715 7.155 1.00 0.00 C ATOM 511 C SER A 38 0.702 -12.941 6.337 1.00 0.00 C ATOM 512 O SER A 38 0.768 -13.351 5.179 1.00 0.00 O ATOM 513 CB SER A 38 2.190 -11.220 7.399 1.00 0.00 C ATOM 514 OG SER A 38 1.453 -10.751 8.525 1.00 0.00 O ATOM 0 H SER A 38 3.775 -12.628 6.085 1.00 0.00 H new ATOM 0 HA SER A 38 1.868 -13.202 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.251 -11.027 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.891 -10.661 6.512 1.00 0.00 H new ATOM 0 HG SER A 38 1.618 -9.793 8.648 1.00 0.00 H new ATOM 520 N THR A 39 -0.428 -12.665 6.972 1.00 0.00 N ATOM 521 CA THR A 39 -1.715 -12.833 6.317 1.00 0.00 C ATOM 522 C THR A 39 -1.867 -11.829 5.173 1.00 0.00 C ATOM 523 O THR A 39 -1.390 -10.699 5.266 1.00 0.00 O ATOM 524 CB THR A 39 -2.806 -12.710 7.382 1.00 0.00 C ATOM 525 OG1 THR A 39 -2.774 -13.964 8.059 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.210 -12.650 6.777 1.00 0.00 C ATOM 0 H THR A 39 -0.479 -12.326 7.933 1.00 0.00 H new ATOM 0 HA THR A 39 -1.799 -13.817 5.856 1.00 0.00 H new ATOM 0 HB THR A 39 -2.629 -11.816 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.450 -13.970 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.947 -12.563 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.285 -11.785 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.399 -13.559 6.206 1.00 0.00 H new ATOM 534 N PRO A 40 -2.550 -12.290 4.091 1.00 0.00 N ATOM 535 CA PRO A 40 -2.771 -11.445 2.930 1.00 0.00 C ATOM 536 C PRO A 40 -3.851 -10.399 3.210 1.00 0.00 C ATOM 537 O PRO A 40 -4.799 -10.663 3.949 1.00 0.00 O ATOM 538 CB PRO A 40 -3.147 -12.403 1.812 1.00 0.00 C ATOM 539 CG PRO A 40 -3.576 -13.692 2.495 1.00 0.00 C ATOM 540 CD PRO A 40 -3.128 -13.622 3.945 1.00 0.00 C ATOM 0 HA PRO A 40 -1.889 -10.864 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.955 -11.996 1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.302 -12.576 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.657 -13.814 2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.130 -14.554 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.967 -13.766 4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.397 -14.398 4.171 1.00 0.00 H new ATOM 548 N TYR A 41 -3.673 -9.233 2.606 1.00 0.00 N ATOM 549 CA TYR A 41 -4.621 -8.146 2.781 1.00 0.00 C ATOM 550 C TYR A 41 -5.874 -8.369 1.932 1.00 0.00 C ATOM 551 O TYR A 41 -6.984 -8.068 2.366 1.00 0.00 O ATOM 552 CB TYR A 41 -3.908 -6.883 2.296 1.00 0.00 C ATOM 553 CG TYR A 41 -4.774 -5.622 2.344 1.00 0.00 C ATOM 554 CD1 TYR A 41 -4.902 -4.917 3.523 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.429 -5.192 1.207 1.00 0.00 C ATOM 556 CE1 TYR A 41 -5.717 -3.730 3.567 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.244 -4.006 1.252 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.348 -3.334 2.430 1.00 0.00 C ATOM 559 OH TYR A 41 -7.118 -2.213 2.472 1.00 0.00 O ATOM 0 H TYR A 41 -2.886 -9.017 1.994 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.935 -8.075 3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.018 -6.724 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.569 -7.040 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.391 -5.255 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.330 -5.745 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.824 -3.167 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.761 -3.658 0.370 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.506 -2.050 1.587 1.00 0.00 H new ATOM 569 N LYS A 42 -5.653 -8.895 0.736 1.00 0.00 N ATOM 570 CA LYS A 42 -6.750 -9.161 -0.179 1.00 0.00 C ATOM 571 C LYS A 42 -6.682 -10.618 -0.639 1.00 0.00 C ATOM 572 O LYS A 42 -5.686 -11.042 -1.225 1.00 0.00 O ATOM 573 CB LYS A 42 -6.747 -8.152 -1.328 1.00 0.00 C ATOM 574 CG LYS A 42 -7.465 -6.861 -0.928 1.00 0.00 C ATOM 575 CD LYS A 42 -7.118 -5.720 -1.886 1.00 0.00 C ATOM 576 CE LYS A 42 -8.368 -5.204 -2.599 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.474 -3.734 -2.462 1.00 0.00 N ATOM 0 H LYS A 42 -4.730 -9.144 0.380 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.707 -9.030 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.720 -7.927 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.234 -8.588 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.543 -7.025 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.185 -6.585 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.648 -4.906 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.392 -6.066 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.330 -5.475 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.255 -5.679 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.328 -3.400 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.532 -3.483 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.636 -3.285 -2.883 1.00 0.00 H new ATOM 591 N GLY A 43 -7.753 -11.346 -0.358 1.00 0.00 N ATOM 592 CA GLY A 43 -7.827 -12.746 -0.736 1.00 0.00 C ATOM 593 C GLY A 43 -6.478 -13.440 -0.537 1.00 0.00 C ATOM 594 O GLY A 43 -5.678 -13.021 0.298 1.00 0.00 O ATOM 0 H GLY A 43 -8.577 -10.992 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.589 -13.247 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.132 -12.829 -1.779 1.00 0.00 H new ATOM 598 N ASP A 44 -6.268 -14.491 -1.317 1.00 0.00 N ATOM 599 CA ASP A 44 -5.030 -15.247 -1.236 1.00 0.00 C ATOM 600 C ASP A 44 -3.975 -14.586 -2.125 1.00 0.00 C ATOM 601 O ASP A 44 -3.587 -15.140 -3.152 1.00 0.00 O ATOM 602 CB ASP A 44 -5.229 -16.682 -1.726 1.00 0.00 C ATOM 603 CG ASP A 44 -6.018 -17.586 -0.776 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.734 -17.519 0.439 1.00 0.00 O ATOM 605 OD2 ASP A 44 -6.888 -18.324 -1.288 1.00 0.00 O ATOM 0 H ASP A 44 -6.934 -14.836 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.711 -15.262 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.743 -16.654 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.251 -17.129 -1.900 1.00 0.00 H new ATOM 610 N ASP A 45 -3.539 -13.410 -1.697 1.00 0.00 N ATOM 611 CA ASP A 45 -2.537 -12.667 -2.441 1.00 0.00 C ATOM 612 C ASP A 45 -1.406 -12.257 -1.496 1.00 0.00 C ATOM 613 O ASP A 45 -1.587 -11.387 -0.646 1.00 0.00 O ATOM 614 CB ASP A 45 -3.131 -11.394 -3.047 1.00 0.00 C ATOM 615 CG ASP A 45 -3.945 -11.605 -4.325 1.00 0.00 C ATOM 616 OD1 ASP A 45 -4.854 -12.463 -4.283 1.00 0.00 O ATOM 617 OD2 ASP A 45 -3.641 -10.904 -5.314 1.00 0.00 O ATOM 0 H ASP A 45 -3.862 -12.954 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.168 -13.309 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.769 -10.919 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.319 -10.699 -3.262 1.00 0.00 H new ATOM 622 N GLU A 46 -0.263 -12.904 -1.675 1.00 0.00 N ATOM 623 CA GLU A 46 0.897 -12.618 -0.849 1.00 0.00 C ATOM 624 C GLU A 46 1.622 -11.374 -1.365 1.00 0.00 C ATOM 625 O GLU A 46 2.822 -11.416 -1.632 1.00 0.00 O ATOM 626 CB GLU A 46 1.841 -13.820 -0.795 1.00 0.00 C ATOM 627 CG GLU A 46 2.293 -14.227 -2.199 1.00 0.00 C ATOM 628 CD GLU A 46 1.583 -15.503 -2.655 1.00 0.00 C ATOM 629 OE1 GLU A 46 1.972 -16.580 -2.152 1.00 0.00 O ATOM 630 OE2 GLU A 46 0.667 -15.374 -3.496 1.00 0.00 O ATOM 0 H GLU A 46 -0.116 -13.626 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 46 0.556 -12.420 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.711 -13.576 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.339 -14.659 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.084 -13.420 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.372 -14.384 -2.206 1.00 0.00 H new ATOM 637 N GLY A 47 0.863 -10.295 -1.490 1.00 0.00 N ATOM 638 CA GLY A 47 1.419 -9.041 -1.970 1.00 0.00 C ATOM 639 C GLY A 47 1.232 -7.928 -0.937 1.00 0.00 C ATOM 640 O GLY A 47 0.416 -8.053 -0.025 1.00 0.00 O ATOM 0 H GLY A 47 -0.132 -10.263 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.480 -9.168 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.936 -8.759 -2.905 1.00 0.00 H new ATOM 644 N ILE A 48 2.001 -6.864 -1.114 1.00 0.00 N ATOM 645 CA ILE A 48 1.930 -5.729 -0.209 1.00 0.00 C ATOM 646 C ILE A 48 0.888 -4.735 -0.725 1.00 0.00 C ATOM 647 O ILE A 48 1.077 -4.120 -1.773 1.00 0.00 O ATOM 648 CB ILE A 48 3.318 -5.117 -0.008 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.225 -6.063 0.781 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.219 -3.738 0.647 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.838 -6.086 2.261 1.00 0.00 C ATOM 0 H ILE A 48 2.677 -6.764 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 48 1.602 -6.050 0.780 1.00 0.00 H new ATOM 0 HB ILE A 48 3.775 -4.976 -0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.155 -7.069 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.263 -5.748 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.219 -3.325 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.633 -3.074 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.734 -3.831 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.498 -6.766 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.933 -5.083 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.807 -6.425 2.362 1.00 0.00 H new ATOM 663 N PHE A 49 -0.190 -4.609 0.036 1.00 0.00 N ATOM 664 CA PHE A 49 -1.262 -3.700 -0.331 1.00 0.00 C ATOM 665 C PHE A 49 -1.406 -2.578 0.699 1.00 0.00 C ATOM 666 O PHE A 49 -1.031 -2.743 1.859 1.00 0.00 O ATOM 667 CB PHE A 49 -2.554 -4.520 -0.358 1.00 0.00 C ATOM 668 CG PHE A 49 -2.651 -5.489 -1.539 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.707 -6.453 -1.706 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.681 -5.385 -2.420 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.797 -7.353 -2.801 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.772 -6.285 -3.515 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.828 -7.249 -3.683 1.00 0.00 C ATOM 0 H PHE A 49 -0.343 -5.121 0.905 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.049 -3.244 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.633 -5.086 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.404 -3.839 -0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.889 -6.534 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.430 -4.618 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.048 -8.119 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.591 -6.204 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.896 -7.932 -4.517 1.00 0.00 H new ATOM 683 N ILE A 50 -1.951 -1.461 0.238 1.00 0.00 N ATOM 684 CA ILE A 50 -2.149 -0.312 1.105 1.00 0.00 C ATOM 685 C ILE A 50 -3.227 -0.639 2.140 1.00 0.00 C ATOM 686 O ILE A 50 -4.306 -1.114 1.788 1.00 0.00 O ATOM 687 CB ILE A 50 -2.451 0.938 0.276 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.339 1.205 -0.740 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.703 2.147 1.179 1.00 0.00 C ATOM 690 CD1 ILE A 50 0.036 1.182 -0.068 1.00 0.00 C ATOM 0 H ILE A 50 -2.261 -1.328 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.236 -0.088 1.656 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.367 0.760 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.375 0.454 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.500 2.173 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.915 3.022 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.554 1.945 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.819 2.337 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.808 1.375 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.077 1.951 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.204 0.204 0.384 1.00 0.00 H new ATOM 702 N SER A 51 -2.898 -0.372 3.395 1.00 0.00 N ATOM 703 CA SER A 51 -3.825 -0.632 4.483 1.00 0.00 C ATOM 704 C SER A 51 -4.648 0.623 4.780 1.00 0.00 C ATOM 705 O SER A 51 -5.858 0.541 4.985 1.00 0.00 O ATOM 706 CB SER A 51 -3.083 -1.090 5.741 1.00 0.00 C ATOM 707 OG SER A 51 -3.702 -0.608 6.931 1.00 0.00 O ATOM 0 H SER A 51 -2.002 0.022 3.683 1.00 0.00 H new ATOM 0 HA SER A 51 -4.496 -1.435 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.049 -2.179 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.052 -0.740 5.701 1.00 0.00 H new ATOM 0 HG SER A 51 -3.200 -0.923 7.712 1.00 0.00 H new ATOM 713 N ARG A 52 -3.959 1.754 4.794 1.00 0.00 N ATOM 714 CA ARG A 52 -4.612 3.024 5.063 1.00 0.00 C ATOM 715 C ARG A 52 -3.925 4.149 4.285 1.00 0.00 C ATOM 716 O ARG A 52 -2.768 4.018 3.890 1.00 0.00 O ATOM 717 CB ARG A 52 -4.582 3.354 6.557 1.00 0.00 C ATOM 718 CG ARG A 52 -5.696 4.337 6.923 1.00 0.00 C ATOM 719 CD ARG A 52 -7.060 3.817 6.465 1.00 0.00 C ATOM 720 NE ARG A 52 -8.062 4.011 7.536 1.00 0.00 N ATOM 721 CZ ARG A 52 -9.386 4.037 7.330 1.00 0.00 C ATOM 722 NH1 ARG A 52 -9.875 3.882 6.093 1.00 0.00 N ATOM 723 NH2 ARG A 52 -10.221 4.219 8.363 1.00 0.00 N ATOM 0 H ARG A 52 -2.955 1.818 4.624 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.650 2.937 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.694 2.438 7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.614 3.781 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.707 4.495 8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.498 5.304 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.374 4.342 5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.988 2.760 6.210 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.724 4.133 8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.240 3.744 5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.883 3.902 5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.848 4.338 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.229 4.239 8.207 1.00 0.00 H new ATOM 737 N VAL A 53 -4.668 5.229 4.090 1.00 0.00 N ATOM 738 CA VAL A 53 -4.145 6.376 3.367 1.00 0.00 C ATOM 739 C VAL A 53 -4.522 7.658 4.111 1.00 0.00 C ATOM 740 O VAL A 53 -5.652 8.132 4.004 1.00 0.00 O ATOM 741 CB VAL A 53 -4.644 6.355 1.921 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.749 7.773 1.357 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.746 5.481 1.043 1.00 0.00 C ATOM 0 H VAL A 53 -5.627 5.334 4.420 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.057 6.335 3.322 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.643 5.918 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.106 7.730 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.448 8.353 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.768 8.248 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.123 5.484 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.730 5.875 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.744 4.461 1.426 1.00 0.00 H new ATOM 753 N SER A 54 -3.555 8.182 4.849 1.00 0.00 N ATOM 754 CA SER A 54 -3.772 9.400 5.611 1.00 0.00 C ATOM 755 C SER A 54 -4.475 10.444 4.741 1.00 0.00 C ATOM 756 O SER A 54 -4.157 10.589 3.561 1.00 0.00 O ATOM 757 CB SER A 54 -2.451 9.958 6.146 1.00 0.00 C ATOM 758 OG SER A 54 -2.162 9.481 7.457 1.00 0.00 O ATOM 0 H SER A 54 -2.619 7.786 4.936 1.00 0.00 H new ATOM 0 HA SER A 54 -4.407 9.161 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.641 9.680 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.496 11.047 6.158 1.00 0.00 H new ATOM 0 HG SER A 54 -1.311 9.858 7.762 1.00 0.00 H new ATOM 764 N GLU A 55 -5.416 11.144 5.356 1.00 0.00 N ATOM 765 CA GLU A 55 -6.167 12.170 4.652 1.00 0.00 C ATOM 766 C GLU A 55 -5.288 13.399 4.412 1.00 0.00 C ATOM 767 O GLU A 55 -5.228 13.915 3.296 1.00 0.00 O ATOM 768 CB GLU A 55 -7.436 12.545 5.420 1.00 0.00 C ATOM 769 CG GLU A 55 -8.685 12.039 4.695 1.00 0.00 C ATOM 770 CD GLU A 55 -9.832 11.802 5.679 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.300 12.807 6.257 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.215 10.622 5.832 1.00 0.00 O ATOM 0 H GLU A 55 -5.676 11.021 6.335 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.472 11.771 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.397 12.121 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.490 13.628 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.992 12.765 3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.454 11.112 4.170 1.00 0.00 H new ATOM 779 N GLU A 56 -4.629 13.833 5.476 1.00 0.00 N ATOM 780 CA GLU A 56 -3.757 14.993 5.394 1.00 0.00 C ATOM 781 C GLU A 56 -2.295 14.551 5.302 1.00 0.00 C ATOM 782 O GLU A 56 -1.453 15.017 6.067 1.00 0.00 O ATOM 783 CB GLU A 56 -3.973 15.927 6.587 1.00 0.00 C ATOM 784 CG GLU A 56 -3.406 15.317 7.870 1.00 0.00 C ATOM 785 CD GLU A 56 -4.195 15.787 9.095 1.00 0.00 C ATOM 786 OE1 GLU A 56 -5.338 15.307 9.252 1.00 0.00 O ATOM 787 OE2 GLU A 56 -3.636 16.616 9.846 1.00 0.00 O ATOM 0 H GLU A 56 -4.681 13.403 6.399 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.007 15.548 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.494 16.887 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.038 16.122 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.440 14.229 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.358 15.597 7.978 1.00 0.00 H new ATOM 794 N GLY A 57 -2.038 13.657 4.358 1.00 0.00 N ATOM 795 CA GLY A 57 -0.693 13.148 4.156 1.00 0.00 C ATOM 796 C GLY A 57 -0.164 13.531 2.773 1.00 0.00 C ATOM 797 O GLY A 57 -0.884 14.122 1.970 1.00 0.00 O ATOM 0 H GLY A 57 -2.739 13.272 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.031 13.545 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.691 12.063 4.262 1.00 0.00 H new ATOM 801 N PRO A 58 1.125 13.169 2.530 1.00 0.00 N ATOM 802 CA PRO A 58 1.759 13.469 1.257 1.00 0.00 C ATOM 803 C PRO A 58 1.252 12.533 0.158 1.00 0.00 C ATOM 804 O PRO A 58 1.184 12.918 -1.008 1.00 0.00 O ATOM 805 CB PRO A 58 3.250 13.327 1.518 1.00 0.00 C ATOM 806 CG PRO A 58 3.374 12.506 2.791 1.00 0.00 C ATOM 807 CD PRO A 58 2.008 12.468 3.457 1.00 0.00 C ATOM 0 HA PRO A 58 1.525 14.470 0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.747 12.832 0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.721 14.303 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.715 11.496 2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.112 12.948 3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.676 11.443 3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.028 12.957 4.431 1.00 0.00 H new ATOM 815 N ALA A 59 0.911 11.320 0.569 1.00 0.00 N ATOM 816 CA ALA A 59 0.413 10.326 -0.366 1.00 0.00 C ATOM 817 C ALA A 59 -0.921 10.801 -0.947 1.00 0.00 C ATOM 818 O ALA A 59 -1.069 10.909 -2.163 1.00 0.00 O ATOM 819 CB ALA A 59 0.292 8.975 0.341 1.00 0.00 C ATOM 0 H ALA A 59 0.970 11.004 1.537 1.00 0.00 H new ATOM 0 HA ALA A 59 1.108 10.199 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.082 8.229 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.271 8.668 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.400 9.063 1.179 1.00 0.00 H new ATOM 825 N ALA A 60 -1.857 11.073 -0.050 1.00 0.00 N ATOM 826 CA ALA A 60 -3.173 11.534 -0.458 1.00 0.00 C ATOM 827 C ALA A 60 -3.026 12.519 -1.619 1.00 0.00 C ATOM 828 O ALA A 60 -3.782 12.460 -2.588 1.00 0.00 O ATOM 829 CB ALA A 60 -3.893 12.151 0.743 1.00 0.00 C ATOM 0 H ALA A 60 -1.730 10.983 0.958 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.780 10.700 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.880 12.497 0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.998 11.402 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.314 12.994 1.121 1.00 0.00 H new ATOM 835 N ARG A 61 -2.047 13.402 -1.484 1.00 0.00 N ATOM 836 CA ARG A 61 -1.791 14.399 -2.509 1.00 0.00 C ATOM 837 C ARG A 61 -1.327 13.724 -3.802 1.00 0.00 C ATOM 838 O ARG A 61 -1.817 14.044 -4.884 1.00 0.00 O ATOM 839 CB ARG A 61 -0.726 15.398 -2.053 1.00 0.00 C ATOM 840 CG ARG A 61 -1.144 16.091 -0.755 1.00 0.00 C ATOM 841 CD ARG A 61 -0.522 17.485 -0.652 1.00 0.00 C ATOM 842 NE ARG A 61 -1.577 18.493 -0.404 1.00 0.00 N ATOM 843 CZ ARG A 61 -1.390 19.816 -0.504 1.00 0.00 C ATOM 844 NH1 ARG A 61 -0.187 20.299 -0.846 1.00 0.00 N ATOM 845 NH2 ARG A 61 -2.405 20.656 -0.261 1.00 0.00 N ATOM 0 H ARG A 61 -1.421 13.447 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.722 14.936 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.222 14.881 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.564 16.143 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.230 16.170 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.836 15.488 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.210 17.507 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.011 17.723 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.504 18.160 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.586 19.659 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.045 21.306 -0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.320 20.288 0.000 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.263 21.663 -0.337 1.00 0.00 H new ATOM 859 N ALA A 62 -0.388 12.802 -3.646 1.00 0.00 N ATOM 860 CA ALA A 62 0.147 12.079 -4.787 1.00 0.00 C ATOM 861 C ALA A 62 -1.007 11.486 -5.597 1.00 0.00 C ATOM 862 O ALA A 62 -0.995 11.531 -6.826 1.00 0.00 O ATOM 863 CB ALA A 62 1.128 11.010 -4.300 1.00 0.00 C ATOM 0 H ALA A 62 0.016 12.539 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 62 0.698 12.752 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.529 10.468 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.944 11.486 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.610 10.314 -3.640 1.00 0.00 H new ATOM 869 N GLY A 63 -1.977 10.943 -4.875 1.00 0.00 N ATOM 870 CA GLY A 63 -3.136 10.342 -5.511 1.00 0.00 C ATOM 871 C GLY A 63 -3.194 8.838 -5.235 1.00 0.00 C ATOM 872 O GLY A 63 -3.705 8.073 -6.052 1.00 0.00 O ATOM 0 H GLY A 63 -1.983 10.907 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.045 10.818 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.097 10.517 -6.586 1.00 0.00 H new ATOM 876 N VAL A 64 -2.664 8.459 -4.082 1.00 0.00 N ATOM 877 CA VAL A 64 -2.649 7.060 -3.688 1.00 0.00 C ATOM 878 C VAL A 64 -4.049 6.649 -3.229 1.00 0.00 C ATOM 879 O VAL A 64 -4.858 7.498 -2.857 1.00 0.00 O ATOM 880 CB VAL A 64 -1.578 6.829 -2.620 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.969 7.492 -1.298 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.311 5.335 -2.427 1.00 0.00 C ATOM 0 H VAL A 64 -2.241 9.096 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.386 6.427 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.654 7.293 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.190 7.312 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.085 8.565 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.911 7.072 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.546 5.198 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.230 4.839 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.967 4.903 -3.367 1.00 0.00 H new ATOM 892 N ARG A 65 -4.293 5.348 -3.270 1.00 0.00 N ATOM 893 CA ARG A 65 -5.581 4.814 -2.863 1.00 0.00 C ATOM 894 C ARG A 65 -5.395 3.497 -2.107 1.00 0.00 C ATOM 895 O ARG A 65 -4.543 2.686 -2.466 1.00 0.00 O ATOM 896 CB ARG A 65 -6.486 4.575 -4.074 1.00 0.00 C ATOM 897 CG ARG A 65 -7.069 5.892 -4.591 1.00 0.00 C ATOM 898 CD ARG A 65 -6.273 6.411 -5.789 1.00 0.00 C ATOM 899 NE ARG A 65 -6.886 7.657 -6.303 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.062 7.706 -6.943 1.00 0.00 C ATOM 901 NH1 ARG A 65 -8.759 6.581 -7.152 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.541 8.881 -7.374 1.00 0.00 N ATOM 0 H ARG A 65 -3.620 4.647 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.053 5.548 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.918 4.089 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.295 3.898 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.110 5.745 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.060 6.636 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.240 6.598 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.250 5.656 -6.575 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.382 8.532 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.394 5.687 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.654 6.619 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.010 9.737 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.436 8.919 -7.861 1.00 0.00 H new ATOM 916 N VAL A 66 -6.206 3.326 -1.073 1.00 0.00 N ATOM 917 CA VAL A 66 -6.142 2.121 -0.263 1.00 0.00 C ATOM 918 C VAL A 66 -6.452 0.906 -1.138 1.00 0.00 C ATOM 919 O VAL A 66 -7.306 0.973 -2.020 1.00 0.00 O ATOM 920 CB VAL A 66 -7.081 2.248 0.939 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.186 0.922 1.694 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.630 3.375 1.870 1.00 0.00 C ATOM 0 H VAL A 66 -6.911 4.002 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.138 1.984 0.139 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.073 2.500 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.859 1.039 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.575 0.153 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.199 0.627 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.314 3.444 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.624 3.166 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.630 4.319 1.325 1.00 0.00 H new ATOM 932 N GLY A 67 -5.741 -0.178 -0.864 1.00 0.00 N ATOM 933 CA GLY A 67 -5.929 -1.407 -1.615 1.00 0.00 C ATOM 934 C GLY A 67 -4.897 -1.528 -2.738 1.00 0.00 C ATOM 935 O GLY A 67 -4.658 -2.619 -3.253 1.00 0.00 O ATOM 0 H GLY A 67 -5.033 -0.230 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.845 -2.263 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.934 -1.430 -2.036 1.00 0.00 H new ATOM 939 N ASP A 68 -4.311 -0.390 -3.084 1.00 0.00 N ATOM 940 CA ASP A 68 -3.310 -0.355 -4.136 1.00 0.00 C ATOM 941 C ASP A 68 -2.283 -1.464 -3.896 1.00 0.00 C ATOM 942 O ASP A 68 -1.608 -1.477 -2.868 1.00 0.00 O ATOM 943 CB ASP A 68 -2.567 0.983 -4.144 1.00 0.00 C ATOM 944 CG ASP A 68 -3.339 2.148 -4.768 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.586 2.063 -4.774 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.665 3.096 -5.224 1.00 0.00 O ATOM 0 H ASP A 68 -4.511 0.513 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.819 -0.492 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.311 1.245 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.629 0.857 -4.685 1.00 0.00 H new ATOM 951 N LYS A 69 -2.199 -2.367 -4.861 1.00 0.00 N ATOM 952 CA LYS A 69 -1.266 -3.478 -4.767 1.00 0.00 C ATOM 953 C LYS A 69 0.136 -2.993 -5.138 1.00 0.00 C ATOM 954 O LYS A 69 0.483 -2.929 -6.316 1.00 0.00 O ATOM 955 CB LYS A 69 -1.752 -4.658 -5.610 1.00 0.00 C ATOM 956 CG LYS A 69 -0.733 -5.799 -5.596 1.00 0.00 C ATOM 957 CD LYS A 69 -1.132 -6.904 -6.575 1.00 0.00 C ATOM 958 CE LYS A 69 -0.292 -8.163 -6.354 1.00 0.00 C ATOM 959 NZ LYS A 69 0.793 -8.246 -7.358 1.00 0.00 N ATOM 0 H LYS A 69 -2.761 -2.353 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.215 -3.848 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.708 -5.015 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.923 -4.331 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.252 -5.414 -5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.657 -6.210 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.189 -7.141 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.003 -6.552 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.133 -8.152 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.926 -9.047 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.353 -9.107 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.381 -8.278 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.408 -7.411 -7.275 1.00 0.00 H new ATOM 973 N LEU A 70 0.905 -2.664 -4.110 1.00 0.00 N ATOM 974 CA LEU A 70 2.262 -2.187 -4.313 1.00 0.00 C ATOM 975 C LEU A 70 3.064 -3.249 -5.069 1.00 0.00 C ATOM 976 O LEU A 70 2.969 -4.437 -4.765 1.00 0.00 O ATOM 977 CB LEU A 70 2.891 -1.776 -2.980 1.00 0.00 C ATOM 978 CG LEU A 70 3.791 -0.538 -3.017 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.527 -0.435 -4.353 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.993 0.729 -2.702 1.00 0.00 C ATOM 0 H LEU A 70 0.614 -2.719 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 70 2.261 -1.288 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.090 -1.597 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.476 -2.615 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 70 4.549 -0.643 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.159 0.453 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.146 -1.321 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.802 -0.364 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.656 1.594 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.199 0.852 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.555 0.645 -1.707 1.00 0.00 H new ATOM 992 N LEU A 71 3.835 -2.782 -6.040 1.00 0.00 N ATOM 993 CA LEU A 71 4.652 -3.677 -6.842 1.00 0.00 C ATOM 994 C LEU A 71 6.130 -3.348 -6.619 1.00 0.00 C ATOM 995 O LEU A 71 6.962 -4.249 -6.519 1.00 0.00 O ATOM 996 CB LEU A 71 4.225 -3.621 -8.310 1.00 0.00 C ATOM 997 CG LEU A 71 2.718 -3.558 -8.568 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.426 -3.160 -10.016 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.041 -4.877 -8.189 1.00 0.00 C ATOM 0 H LEU A 71 3.911 -1.796 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 71 4.504 -4.711 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.689 -2.748 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.624 -4.499 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 71 2.294 -2.783 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.348 -3.123 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.856 -2.179 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.865 -3.894 -10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.971 -4.805 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.464 -5.687 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.206 -5.080 -7.131 1.00 0.00 H new ATOM 1011 N GLU A 72 6.412 -2.056 -6.548 1.00 0.00 N ATOM 1012 CA GLU A 72 7.775 -1.597 -6.338 1.00 0.00 C ATOM 1013 C GLU A 72 7.776 -0.251 -5.612 1.00 0.00 C ATOM 1014 O GLU A 72 6.878 0.566 -5.809 1.00 0.00 O ATOM 1015 CB GLU A 72 8.532 -1.505 -7.664 1.00 0.00 C ATOM 1016 CG GLU A 72 9.679 -0.497 -7.572 1.00 0.00 C ATOM 1017 CD GLU A 72 9.183 0.925 -7.841 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.778 1.175 -8.997 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.220 1.729 -6.886 1.00 0.00 O ATOM 0 H GLU A 72 5.720 -1.312 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 72 8.291 -2.325 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.926 -2.486 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.847 -1.210 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.133 -0.546 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.455 -0.757 -8.292 1.00 0.00 H new ATOM 1026 N VAL A 73 8.794 -0.061 -4.786 1.00 0.00 N ATOM 1027 CA VAL A 73 8.924 1.172 -4.029 1.00 0.00 C ATOM 1028 C VAL A 73 10.370 1.667 -4.113 1.00 0.00 C ATOM 1029 O VAL A 73 11.283 1.017 -3.606 1.00 0.00 O ATOM 1030 CB VAL A 73 8.449 0.956 -2.590 1.00 0.00 C ATOM 1031 CG1 VAL A 73 8.730 2.189 -1.729 1.00 0.00 C ATOM 1032 CG2 VAL A 73 6.965 0.587 -2.553 1.00 0.00 C ATOM 0 H VAL A 73 9.537 -0.741 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 73 8.289 1.949 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 73 9.012 0.121 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.383 2.009 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.802 2.388 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.206 3.050 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.653 0.439 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.379 1.391 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.805 -0.333 -3.116 1.00 0.00 H new ATOM 1042 N ASN A 74 10.532 2.814 -4.757 1.00 0.00 N ATOM 1043 CA ASN A 74 11.851 3.404 -4.914 1.00 0.00 C ATOM 1044 C ASN A 74 12.605 2.667 -6.022 1.00 0.00 C ATOM 1045 O ASN A 74 13.772 2.958 -6.283 1.00 0.00 O ATOM 1046 CB ASN A 74 12.666 3.281 -3.625 1.00 0.00 C ATOM 1047 CG ASN A 74 13.295 4.623 -3.244 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.497 4.750 -3.081 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.418 5.614 -3.113 1.00 0.00 N ATOM 0 H ASN A 74 9.772 3.350 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 74 11.722 4.458 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.023 2.934 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.448 2.533 -3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.739 6.549 -2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.425 5.439 -3.264 1.00 0.00 H new ATOM 1056 N GLY A 75 11.909 1.727 -6.644 1.00 0.00 N ATOM 1057 CA GLY A 75 12.499 0.947 -7.719 1.00 0.00 C ATOM 1058 C GLY A 75 12.642 -0.522 -7.314 1.00 0.00 C ATOM 1059 O GLY A 75 12.731 -1.400 -8.172 1.00 0.00 O ATOM 0 H GLY A 75 10.942 1.488 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.878 1.023 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.477 1.355 -7.975 1.00 0.00 H new ATOM 1063 N VAL A 76 12.660 -0.744 -6.008 1.00 0.00 N ATOM 1064 CA VAL A 76 12.791 -2.091 -5.480 1.00 0.00 C ATOM 1065 C VAL A 76 11.472 -2.842 -5.677 1.00 0.00 C ATOM 1066 O VAL A 76 10.405 -2.327 -5.346 1.00 0.00 O ATOM 1067 CB VAL A 76 13.236 -2.039 -4.017 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.126 -1.480 -3.126 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.687 -3.418 -3.532 1.00 0.00 C ATOM 0 H VAL A 76 12.586 -0.014 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 76 13.562 -2.640 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 76 14.090 -1.365 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.468 -1.454 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.873 -0.471 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.244 -2.117 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.998 -3.353 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.861 -4.123 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.524 -3.762 -4.140 1.00 0.00 H new ATOM 1079 N ALA A 77 11.589 -4.047 -6.215 1.00 0.00 N ATOM 1080 CA ALA A 77 10.419 -4.874 -6.460 1.00 0.00 C ATOM 1081 C ALA A 77 9.964 -5.508 -5.144 1.00 0.00 C ATOM 1082 O ALA A 77 10.698 -6.288 -4.540 1.00 0.00 O ATOM 1083 CB ALA A 77 10.747 -5.919 -7.528 1.00 0.00 C ATOM 0 H ALA A 77 12.476 -4.471 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 77 9.594 -4.270 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.870 -6.539 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.036 -5.417 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.569 -6.546 -7.183 1.00 0.00 H new ATOM 1089 N LEU A 78 8.755 -5.149 -4.738 1.00 0.00 N ATOM 1090 CA LEU A 78 8.193 -5.673 -3.505 1.00 0.00 C ATOM 1091 C LEU A 78 7.228 -6.814 -3.834 1.00 0.00 C ATOM 1092 O LEU A 78 6.253 -7.033 -3.117 1.00 0.00 O ATOM 1093 CB LEU A 78 7.558 -4.548 -2.685 1.00 0.00 C ATOM 1094 CG LEU A 78 8.520 -3.487 -2.144 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.774 -2.447 -1.307 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.668 -4.134 -1.366 1.00 0.00 C ATOM 0 H LEU A 78 8.149 -4.501 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 78 8.979 -6.091 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.811 -4.051 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.029 -4.993 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 78 8.961 -2.962 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.480 -1.705 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.022 -1.955 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.287 -2.939 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.337 -3.359 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.265 -4.701 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.221 -4.804 -2.024 1.00 0.00 H new ATOM 1108 N GLN A 79 7.533 -7.510 -4.919 1.00 0.00 N ATOM 1109 CA GLN A 79 6.705 -8.623 -5.351 1.00 0.00 C ATOM 1110 C GLN A 79 6.888 -9.817 -4.412 1.00 0.00 C ATOM 1111 O GLN A 79 7.917 -10.489 -4.450 1.00 0.00 O ATOM 1112 CB GLN A 79 7.019 -9.010 -6.798 1.00 0.00 C ATOM 1113 CG GLN A 79 6.198 -8.172 -7.780 1.00 0.00 C ATOM 1114 CD GLN A 79 6.562 -8.510 -9.227 1.00 0.00 C ATOM 1115 OE1 GLN A 79 7.464 -9.284 -9.503 1.00 0.00 O ATOM 1116 NE2 GLN A 79 5.813 -7.887 -10.133 1.00 0.00 N ATOM 0 H GLN A 79 8.342 -7.325 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 79 5.661 -8.311 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.082 -8.868 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.805 -10.068 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.135 -8.352 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.374 -7.112 -7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.074 -7.251 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.978 -8.045 -11.127 1.00 0.00 H new ATOM 1125 N GLY A 80 5.873 -10.044 -3.591 1.00 0.00 N ATOM 1126 CA GLY A 80 5.909 -11.146 -2.644 1.00 0.00 C ATOM 1127 C GLY A 80 7.070 -10.985 -1.661 1.00 0.00 C ATOM 1128 O GLY A 80 7.773 -11.950 -1.362 1.00 0.00 O ATOM 0 H GLY A 80 5.021 -9.484 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.968 -11.191 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.011 -12.089 -3.181 1.00 0.00 H new ATOM 1132 N ALA A 81 7.236 -9.760 -1.185 1.00 0.00 N ATOM 1133 CA ALA A 81 8.299 -9.461 -0.241 1.00 0.00 C ATOM 1134 C ALA A 81 7.721 -9.412 1.174 1.00 0.00 C ATOM 1135 O ALA A 81 6.553 -9.073 1.360 1.00 0.00 O ATOM 1136 CB ALA A 81 8.980 -8.149 -0.638 1.00 0.00 C ATOM 0 H ALA A 81 6.652 -8.962 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 81 9.059 -10.242 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.778 -7.924 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.400 -8.246 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.248 -7.342 -0.628 1.00 0.00 H new ATOM 1142 N GLU A 82 8.564 -9.757 2.136 1.00 0.00 N ATOM 1143 CA GLU A 82 8.152 -9.757 3.529 1.00 0.00 C ATOM 1144 C GLU A 82 7.885 -8.327 4.004 1.00 0.00 C ATOM 1145 O GLU A 82 8.312 -7.367 3.364 1.00 0.00 O ATOM 1146 CB GLU A 82 9.197 -10.441 4.411 1.00 0.00 C ATOM 1147 CG GLU A 82 9.227 -11.950 4.157 1.00 0.00 C ATOM 1148 CD GLU A 82 10.664 -12.453 4.008 1.00 0.00 C ATOM 1149 OE1 GLU A 82 11.380 -11.881 3.159 1.00 0.00 O ATOM 1150 OE2 GLU A 82 11.013 -13.399 4.746 1.00 0.00 O ATOM 0 H GLU A 82 9.531 -10.039 1.978 1.00 0.00 H new ATOM 0 HA GLU A 82 7.226 -10.326 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.181 -10.016 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.973 -10.250 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.739 -12.471 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.662 -12.182 3.254 1.00 0.00 H new ATOM 1157 N HIS A 83 7.181 -8.230 5.122 1.00 0.00 N ATOM 1158 CA HIS A 83 6.853 -6.933 5.690 1.00 0.00 C ATOM 1159 C HIS A 83 8.121 -6.082 5.792 1.00 0.00 C ATOM 1160 O HIS A 83 8.202 -5.010 5.196 1.00 0.00 O ATOM 1161 CB HIS A 83 6.137 -7.094 7.032 1.00 0.00 C ATOM 1162 CG HIS A 83 5.017 -6.105 7.252 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.983 -5.930 6.349 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.780 -5.241 8.281 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.167 -5.000 6.823 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.662 -4.574 8.021 1.00 0.00 N ATOM 0 H HIS A 83 6.828 -9.028 5.650 1.00 0.00 H new ATOM 0 HA HIS A 83 6.158 -6.409 5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.734 -8.105 7.098 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.865 -6.988 7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.398 -5.120 9.159 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.267 -4.642 6.345 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.243 -3.861 8.618 1.00 0.00 H new ATOM 1174 N HIS A 84 9.078 -6.593 6.553 1.00 0.00 N ATOM 1175 CA HIS A 84 10.337 -5.893 6.741 1.00 0.00 C ATOM 1176 C HIS A 84 10.859 -5.403 5.389 1.00 0.00 C ATOM 1177 O HIS A 84 11.145 -4.218 5.223 1.00 0.00 O ATOM 1178 CB HIS A 84 11.344 -6.776 7.481 1.00 0.00 C ATOM 1179 CG HIS A 84 12.018 -7.805 6.604 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.265 -7.607 6.038 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.606 -9.042 6.204 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.580 -8.682 5.331 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.550 -9.570 5.435 1.00 0.00 N ATOM 0 H HIS A 84 9.007 -7.483 7.046 1.00 0.00 H new ATOM 0 HA HIS A 84 10.180 -5.016 7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.107 -6.141 7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.833 -7.287 8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.670 -9.512 6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.492 -8.829 4.771 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.512 -10.489 4.994 1.00 0.00 H new ATOM 1191 N GLU A 85 10.967 -6.339 4.458 1.00 0.00 N ATOM 1192 CA GLU A 85 11.449 -6.017 3.126 1.00 0.00 C ATOM 1193 C GLU A 85 10.766 -4.751 2.605 1.00 0.00 C ATOM 1194 O GLU A 85 11.427 -3.852 2.088 1.00 0.00 O ATOM 1195 CB GLU A 85 11.234 -7.190 2.167 1.00 0.00 C ATOM 1196 CG GLU A 85 12.207 -8.331 2.469 1.00 0.00 C ATOM 1197 CD GLU A 85 12.867 -8.844 1.187 1.00 0.00 C ATOM 1198 OE1 GLU A 85 12.106 -9.209 0.265 1.00 0.00 O ATOM 1199 OE2 GLU A 85 14.116 -8.859 1.159 1.00 0.00 O ATOM 0 H GLU A 85 10.729 -7.321 4.600 1.00 0.00 H new ATOM 0 HA GLU A 85 12.521 -5.829 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.209 -7.550 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.370 -6.854 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.973 -7.986 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.676 -9.146 2.960 1.00 0.00 H new ATOM 1206 N ALA A 86 9.450 -4.721 2.760 1.00 0.00 N ATOM 1207 CA ALA A 86 8.670 -3.580 2.312 1.00 0.00 C ATOM 1208 C ALA A 86 9.065 -2.346 3.126 1.00 0.00 C ATOM 1209 O ALA A 86 9.554 -1.363 2.572 1.00 0.00 O ATOM 1210 CB ALA A 86 7.179 -3.903 2.429 1.00 0.00 C ATOM 0 H ALA A 86 8.905 -5.468 3.189 1.00 0.00 H new ATOM 0 HA ALA A 86 8.875 -3.363 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.594 -3.047 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.945 -4.769 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.935 -4.124 3.468 1.00 0.00 H new ATOM 1216 N VAL A 87 8.839 -2.438 4.428 1.00 0.00 N ATOM 1217 CA VAL A 87 9.165 -1.342 5.324 1.00 0.00 C ATOM 1218 C VAL A 87 10.539 -0.778 4.954 1.00 0.00 C ATOM 1219 O VAL A 87 10.660 0.398 4.615 1.00 0.00 O ATOM 1220 CB VAL A 87 9.084 -1.812 6.778 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.622 -0.743 7.731 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.652 -2.206 7.147 1.00 0.00 C ATOM 0 H VAL A 87 8.434 -3.255 4.884 1.00 0.00 H new ATOM 0 HA VAL A 87 8.442 -0.534 5.217 1.00 0.00 H new ATOM 0 HB VAL A 87 9.712 -2.697 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.553 -1.103 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.664 -0.532 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.033 0.168 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.622 -2.536 8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.994 -1.346 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.319 -3.016 6.499 1.00 0.00 H new ATOM 1232 N GLU A 88 11.539 -1.644 5.031 1.00 0.00 N ATOM 1233 CA GLU A 88 12.899 -1.247 4.708 1.00 0.00 C ATOM 1234 C GLU A 88 12.912 -0.369 3.455 1.00 0.00 C ATOM 1235 O GLU A 88 13.393 0.762 3.491 1.00 0.00 O ATOM 1236 CB GLU A 88 13.799 -2.471 4.530 1.00 0.00 C ATOM 1237 CG GLU A 88 15.095 -2.320 5.329 1.00 0.00 C ATOM 1238 CD GLU A 88 16.140 -1.534 4.536 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.870 -2.185 3.758 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.186 -0.299 4.725 1.00 0.00 O ATOM 0 H GLU A 88 11.435 -2.619 5.312 1.00 0.00 H new ATOM 0 HA GLU A 88 13.295 -0.664 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.269 -3.366 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.032 -2.605 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.889 -1.810 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.489 -3.305 5.579 1.00 0.00 H new ATOM 1247 N ALA A 89 12.378 -0.924 2.377 1.00 0.00 N ATOM 1248 CA ALA A 89 12.323 -0.205 1.115 1.00 0.00 C ATOM 1249 C ALA A 89 11.764 1.198 1.357 1.00 0.00 C ATOM 1250 O ALA A 89 12.446 2.193 1.111 1.00 0.00 O ATOM 1251 CB ALA A 89 11.487 -1.001 0.111 1.00 0.00 C ATOM 0 H ALA A 89 11.980 -1.863 2.351 1.00 0.00 H new ATOM 0 HA ALA A 89 13.321 -0.093 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.445 -0.462 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.942 -1.979 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.477 -1.130 0.500 1.00 0.00 H new ATOM 1257 N LEU A 90 10.529 1.235 1.835 1.00 0.00 N ATOM 1258 CA LEU A 90 9.871 2.500 2.113 1.00 0.00 C ATOM 1259 C LEU A 90 10.870 3.457 2.766 1.00 0.00 C ATOM 1260 O LEU A 90 11.075 4.570 2.285 1.00 0.00 O ATOM 1261 CB LEU A 90 8.604 2.275 2.939 1.00 0.00 C ATOM 1262 CG LEU A 90 7.334 1.957 2.147 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.275 1.312 3.044 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.802 3.204 1.439 1.00 0.00 C ATOM 0 H LEU A 90 9.966 0.408 2.037 1.00 0.00 H new ATOM 0 HA LEU A 90 9.540 2.969 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.789 1.457 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.421 3.167 3.537 1.00 0.00 H new ATOM 0 HG LEU A 90 7.587 1.231 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.383 1.096 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.668 0.385 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.019 1.995 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.899 2.950 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.570 3.971 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.558 3.581 0.750 1.00 0.00 H new ATOM 1276 N ARG A 91 11.465 2.988 3.854 1.00 0.00 N ATOM 1277 CA ARG A 91 12.437 3.789 4.578 1.00 0.00 C ATOM 1278 C ARG A 91 13.494 4.338 3.618 1.00 0.00 C ATOM 1279 O ARG A 91 13.854 5.512 3.692 1.00 0.00 O ATOM 1280 CB ARG A 91 13.127 2.964 5.667 1.00 0.00 C ATOM 1281 CG ARG A 91 12.119 2.488 6.715 1.00 0.00 C ATOM 1282 CD ARG A 91 12.760 2.422 8.103 1.00 0.00 C ATOM 1283 NE ARG A 91 12.775 3.769 8.718 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.576 4.123 9.732 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.431 3.232 10.252 1.00 0.00 N ATOM 1286 NH2 ARG A 91 13.521 5.367 10.227 1.00 0.00 N ATOM 0 H ARG A 91 11.292 2.064 4.251 1.00 0.00 H new ATOM 0 HA ARG A 91 11.903 4.616 5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.623 2.104 5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.901 3.563 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.265 3.165 6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.739 1.504 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.205 1.730 8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.777 2.037 8.025 1.00 0.00 H new ATOM 0 HE ARG A 91 12.135 4.471 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.472 2.285 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.041 3.501 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.869 6.045 9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.131 5.636 10.999 1.00 0.00 H new ATOM 1300 N GLY A 92 13.961 3.463 2.739 1.00 0.00 N ATOM 1301 CA GLY A 92 14.969 3.846 1.766 1.00 0.00 C ATOM 1302 C GLY A 92 14.330 4.524 0.552 1.00 0.00 C ATOM 1303 O GLY A 92 13.952 3.856 -0.409 1.00 0.00 O ATOM 0 H GLY A 92 13.660 2.490 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.687 4.523 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.523 2.964 1.445 1.00 0.00 H new ATOM 1307 N ALA A 93 14.229 5.842 0.636 1.00 0.00 N ATOM 1308 CA ALA A 93 13.642 6.618 -0.444 1.00 0.00 C ATOM 1309 C ALA A 93 13.966 8.099 -0.236 1.00 0.00 C ATOM 1310 O ALA A 93 13.794 8.628 0.861 1.00 0.00 O ATOM 1311 CB ALA A 93 12.136 6.354 -0.503 1.00 0.00 C ATOM 0 H ALA A 93 14.544 6.393 1.435 1.00 0.00 H new ATOM 0 HA ALA A 93 14.063 6.319 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.696 6.936 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.959 5.293 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.678 6.644 0.443 1.00 0.00 H new ATOM 1317 N GLY A 94 14.429 8.726 -1.307 1.00 0.00 N ATOM 1318 CA GLY A 94 14.779 10.136 -1.257 1.00 0.00 C ATOM 1319 C GLY A 94 13.525 11.013 -1.274 1.00 0.00 C ATOM 1320 O GLY A 94 12.419 10.525 -1.046 1.00 0.00 O ATOM 0 H GLY A 94 14.570 8.284 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.357 10.339 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.414 10.387 -2.106 1.00 0.00 H new ATOM 1324 N THR A 95 13.740 12.291 -1.547 1.00 0.00 N ATOM 1325 CA THR A 95 12.641 13.240 -1.598 1.00 0.00 C ATOM 1326 C THR A 95 11.416 12.604 -2.256 1.00 0.00 C ATOM 1327 O THR A 95 10.513 12.131 -1.568 1.00 0.00 O ATOM 1328 CB THR A 95 13.134 14.497 -2.318 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.823 13.994 -3.460 1.00 0.00 O ATOM 1330 CG2 THR A 95 14.215 15.239 -1.529 1.00 0.00 C ATOM 0 H THR A 95 14.659 12.692 -1.735 1.00 0.00 H new ATOM 0 HA THR A 95 12.320 13.526 -0.596 1.00 0.00 H new ATOM 0 HB THR A 95 12.292 15.166 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.175 14.742 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.529 16.122 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.816 15.542 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.071 14.582 -1.378 1.00 0.00 H new ATOM 1338 N ALA A 96 11.424 12.612 -3.581 1.00 0.00 N ATOM 1339 CA ALA A 96 10.325 12.041 -4.340 1.00 0.00 C ATOM 1340 C ALA A 96 10.378 10.515 -4.237 1.00 0.00 C ATOM 1341 O ALA A 96 11.271 9.882 -4.798 1.00 0.00 O ATOM 1342 CB ALA A 96 10.395 12.530 -5.788 1.00 0.00 C ATOM 0 H ALA A 96 12.175 13.005 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 96 9.368 12.366 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.570 12.101 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.324 13.617 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.341 12.220 -6.231 1.00 0.00 H new ATOM 1348 N VAL A 97 9.410 9.969 -3.516 1.00 0.00 N ATOM 1349 CA VAL A 97 9.335 8.529 -3.333 1.00 0.00 C ATOM 1350 C VAL A 97 8.408 7.932 -4.393 1.00 0.00 C ATOM 1351 O VAL A 97 7.208 8.205 -4.399 1.00 0.00 O ATOM 1352 CB VAL A 97 8.895 8.206 -1.903 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.729 6.698 -1.708 1.00 0.00 C ATOM 1354 CG2 VAL A 97 9.877 8.786 -0.883 1.00 0.00 C ATOM 0 H VAL A 97 8.671 10.497 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 97 10.317 8.075 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 97 7.925 8.674 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.416 6.496 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.974 6.323 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.679 6.199 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.541 8.542 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.867 8.361 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.924 9.869 -0.998 1.00 0.00 H new ATOM 1364 N GLN A 98 8.998 7.127 -5.264 1.00 0.00 N ATOM 1365 CA GLN A 98 8.240 6.489 -6.327 1.00 0.00 C ATOM 1366 C GLN A 98 7.684 5.146 -5.849 1.00 0.00 C ATOM 1367 O GLN A 98 8.416 4.330 -5.291 1.00 0.00 O ATOM 1368 CB GLN A 98 9.097 6.312 -7.582 1.00 0.00 C ATOM 1369 CG GLN A 98 8.256 6.482 -8.848 1.00 0.00 C ATOM 1370 CD GLN A 98 9.104 6.263 -10.103 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.964 5.399 -10.159 1.00 0.00 O ATOM 1372 NE2 GLN A 98 8.814 7.090 -11.103 1.00 0.00 N ATOM 0 H GLN A 98 9.993 6.902 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 98 7.402 7.136 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.908 7.041 -7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.557 5.324 -7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.428 5.774 -8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.821 7.481 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.082 7.791 -10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.324 7.023 -11.984 1.00 0.00 H new ATOM 1381 N MET A 99 6.394 4.958 -6.085 1.00 0.00 N ATOM 1382 CA MET A 99 5.731 3.728 -5.686 1.00 0.00 C ATOM 1383 C MET A 99 4.904 3.152 -6.837 1.00 0.00 C ATOM 1384 O MET A 99 3.944 3.774 -7.288 1.00 0.00 O ATOM 1385 CB MET A 99 4.818 4.005 -4.490 1.00 0.00 C ATOM 1386 CG MET A 99 5.630 4.143 -3.201 1.00 0.00 C ATOM 1387 SD MET A 99 4.795 3.311 -1.861 1.00 0.00 S ATOM 1388 CE MET A 99 3.977 4.701 -1.095 1.00 0.00 C ATOM 0 H MET A 99 5.790 5.637 -6.548 1.00 0.00 H new ATOM 0 HA MET A 99 6.494 2.999 -5.411 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.250 4.918 -4.666 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.096 3.196 -4.384 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.624 3.718 -3.341 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.765 5.197 -2.958 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.118 4.656 -0.015 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.401 5.629 -1.478 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.912 4.668 -1.324 1.00 0.00 H new ATOM 1398 N ARG A 100 5.307 1.970 -7.280 1.00 0.00 N ATOM 1399 CA ARG A 100 4.615 1.304 -8.370 1.00 0.00 C ATOM 1400 C ARG A 100 3.473 0.443 -7.826 1.00 0.00 C ATOM 1401 O ARG A 100 3.709 -0.630 -7.274 1.00 0.00 O ATOM 1402 CB ARG A 100 5.573 0.420 -9.172 1.00 0.00 C ATOM 1403 CG ARG A 100 5.000 0.104 -10.554 1.00 0.00 C ATOM 1404 CD ARG A 100 6.051 -0.562 -11.445 1.00 0.00 C ATOM 1405 NE ARG A 100 5.601 -1.918 -11.831 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.424 -2.894 -12.240 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.742 -2.671 -12.318 1.00 0.00 N ATOM 1408 NH2 ARG A 100 5.927 -4.094 -12.571 1.00 0.00 N ATOM 0 H ARG A 100 6.104 1.457 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 100 4.213 2.075 -9.028 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.534 0.923 -9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.757 -0.508 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.136 -0.553 -10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.649 1.022 -11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.219 0.042 -12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.002 -0.622 -10.917 1.00 0.00 H new ATOM 0 HE ARG A 100 4.603 -2.123 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.121 -1.758 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.367 -3.414 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.923 -4.264 -12.512 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.553 -4.837 -12.882 1.00 0.00 H new ATOM 1422 N VAL A 101 2.260 0.947 -8.002 1.00 0.00 N ATOM 1423 CA VAL A 101 1.081 0.238 -7.536 1.00 0.00 C ATOM 1424 C VAL A 101 0.393 -0.437 -8.725 1.00 0.00 C ATOM 1425 O VAL A 101 0.644 -0.080 -9.875 1.00 0.00 O ATOM 1426 CB VAL A 101 0.160 1.195 -6.777 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.825 1.692 -5.491 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.262 2.368 -7.664 1.00 0.00 C ATOM 0 H VAL A 101 2.069 1.838 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 101 1.361 -0.547 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.739 0.645 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.149 2.371 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.053 0.842 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.747 2.217 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.916 3.033 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.623 2.917 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.794 1.991 -8.538 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.460 -1.399 -8.406 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.185 -2.126 -9.434 1.00 0.00 C ATOM 1440 C TRP A 102 -2.678 -1.845 -9.247 1.00 0.00 C ATOM 1441 O TRP A 102 -3.223 -2.058 -8.165 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.848 -3.618 -9.391 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.283 -4.390 -10.638 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -0.964 -4.141 -11.916 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.135 -5.555 -10.675 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.546 -5.056 -12.770 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.280 -5.943 -11.991 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.762 -6.257 -9.631 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.049 -7.045 -12.385 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.526 -7.356 -10.041 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.682 -7.759 -11.362 1.00 0.00 C ATOM 0 H TRP A 102 -0.665 -1.692 -7.451 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.888 -1.789 -10.427 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.228 -3.733 -9.262 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.324 -4.062 -8.517 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.331 -3.327 -12.237 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.454 -5.077 -13.786 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.662 -5.971 -8.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.148 -7.328 -13.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.029 -7.931 -9.278 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.290 -8.620 -11.598 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.296 -1.371 -10.319 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.715 -1.059 -10.287 1.00 0.00 C ATOM 1464 C ARG A 103 -5.296 -1.083 -11.702 1.00 0.00 C ATOM 1465 O ARG A 103 -4.562 -0.947 -12.680 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.962 0.317 -9.665 1.00 0.00 C ATOM 1467 CG ARG A 103 -5.575 0.185 -8.269 1.00 0.00 C ATOM 1468 CD ARG A 103 -5.074 1.296 -7.344 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.218 1.932 -6.652 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.006 1.304 -5.770 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -6.780 0.019 -5.465 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.021 1.961 -5.191 1.00 0.00 N ATOM 0 H ARG A 103 -2.840 -1.196 -11.215 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.207 -1.815 -9.676 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.022 0.866 -9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.628 0.895 -10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.662 0.228 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.321 -0.787 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.378 0.885 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.527 2.042 -7.921 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.419 2.910 -6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.007 -0.481 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.380 -0.459 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.193 2.939 -5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.621 1.482 -4.519 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.608 -1.257 -11.766 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.295 -1.300 -13.046 1.00 0.00 C ATOM 1488 C GLU A 104 -7.761 0.101 -13.446 1.00 0.00 C ATOM 1489 O GLU A 104 -8.334 0.825 -12.633 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.471 -2.278 -13.003 1.00 0.00 C ATOM 1491 CG GLU A 104 -8.834 -2.761 -14.409 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.209 -3.430 -14.421 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -10.279 -4.592 -13.966 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.160 -2.764 -14.885 1.00 0.00 O ATOM 0 H GLU A 104 -7.213 -1.370 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.595 -1.657 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.216 -3.132 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.335 -1.794 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.830 -1.918 -15.099 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.080 -3.465 -14.761 1.00 0.00 H new