USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 17 GLN : amide:sc= 0.806 K(o=1.9,f=-8.8!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 175:sc= 1.09 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 17:sc= 0.791 USER MOD Single : A 24 SER OG : rot -160:sc= 0.11 USER MOD Single : A 27 HIS : no HE2:sc= -0.261 X(o=-0.26,f=-0.76) USER MOD Single : A 40 SER OG : rot -80:sc= 1.38 USER MOD Single : A 44 SER OG : rot 144:sc= 1.15 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 0.79 (180deg=-0.2!) USER MOD Single : A 49 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.5) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc=-0.00818 X(o=-0.0082,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.34! C(o=-3.3!,f=-9.5!) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.972 F(o=-1.8,f=-0.97) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.215 USER MOD Single : A 77 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-6.2!) USER MOD Single : A 84 THR OG1 : rot 35:sc= 1.01 USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00341) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0334) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 114:sc= 0.348 USER MOD Single : A 98 TYR OH : rot 120:sc= -0.153 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.441 -6.968 2.391 1.00 0.00 N ATOM 145 CA THR A 11 12.230 -8.296 1.840 1.00 0.00 C ATOM 146 C THR A 11 10.912 -8.824 2.412 1.00 0.00 C ATOM 147 O THR A 11 10.316 -8.203 3.270 1.00 0.00 O ATOM 148 CB THR A 11 13.389 -9.204 2.314 1.00 0.00 C ATOM 149 OG1 THR A 11 14.512 -8.458 2.753 1.00 0.00 O ATOM 150 CG2 THR A 11 13.862 -10.206 1.267 1.00 0.00 C ATOM 0 HA THR A 11 12.196 -8.277 0.751 1.00 0.00 H new ATOM 0 HB THR A 11 12.959 -9.760 3.147 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.243 -7.531 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.676 -10.804 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.035 -10.860 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.214 -9.671 0.385 1.00 0.00 H new ATOM 158 N ALA A 12 10.434 -9.980 1.985 1.00 0.00 N ATOM 159 CA ALA A 12 9.134 -10.519 2.418 1.00 0.00 C ATOM 160 C ALA A 12 9.113 -10.832 3.907 1.00 0.00 C ATOM 161 O ALA A 12 8.227 -10.347 4.607 1.00 0.00 O ATOM 162 CB ALA A 12 8.745 -11.698 1.524 1.00 0.00 C ATOM 0 H ALA A 12 10.929 -10.581 1.326 1.00 0.00 H new ATOM 0 HA ALA A 12 8.365 -9.756 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.783 -12.096 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.671 -11.362 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.503 -12.477 1.599 1.00 0.00 H new ATOM 168 N ALA A 13 10.104 -11.553 4.420 1.00 0.00 N ATOM 169 CA ALA A 13 10.208 -11.787 5.858 1.00 0.00 C ATOM 170 C ALA A 13 10.409 -10.466 6.619 1.00 0.00 C ATOM 171 O ALA A 13 9.920 -10.312 7.745 1.00 0.00 O ATOM 172 CB ALA A 13 11.349 -12.771 6.133 1.00 0.00 C ATOM 0 H ALA A 13 10.844 -11.984 3.866 1.00 0.00 H new ATOM 0 HA ALA A 13 9.276 -12.224 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.428 -12.946 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.147 -13.714 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.286 -12.354 5.764 1.00 0.00 H new ATOM 178 N GLU A 14 11.093 -9.515 5.978 1.00 0.00 N ATOM 179 CA GLU A 14 11.419 -8.212 6.518 1.00 0.00 C ATOM 180 C GLU A 14 10.155 -7.374 6.595 1.00 0.00 C ATOM 181 O GLU A 14 9.967 -6.629 7.540 1.00 0.00 O ATOM 182 CB GLU A 14 12.418 -7.517 5.581 1.00 0.00 C ATOM 183 CG GLU A 14 13.494 -6.742 6.346 1.00 0.00 C ATOM 184 CD GLU A 14 14.635 -7.684 6.718 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.401 -8.653 7.475 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.748 -7.549 6.156 1.00 0.00 O ATOM 0 H GLU A 14 11.445 -9.647 5.030 1.00 0.00 H new ATOM 0 HA GLU A 14 11.853 -8.323 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.895 -8.263 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.880 -6.834 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.870 -5.922 5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.067 -6.298 7.245 1.00 0.00 H new ATOM 193 N ILE A 15 9.286 -7.493 5.597 1.00 0.00 N ATOM 194 CA ILE A 15 8.020 -6.823 5.481 1.00 0.00 C ATOM 195 C ILE A 15 7.117 -7.416 6.544 1.00 0.00 C ATOM 196 O ILE A 15 6.501 -6.652 7.279 1.00 0.00 O ATOM 197 CB ILE A 15 7.487 -6.903 4.022 1.00 0.00 C ATOM 198 CG1 ILE A 15 8.210 -5.847 3.175 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.974 -6.671 3.982 1.00 0.00 C ATOM 200 CD1 ILE A 15 8.041 -6.090 1.669 1.00 0.00 C ATOM 0 H ILE A 15 9.471 -8.103 4.801 1.00 0.00 H new ATOM 0 HA ILE A 15 8.088 -5.751 5.665 1.00 0.00 H new ATOM 0 HB ILE A 15 7.682 -7.897 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.826 -4.858 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.271 -5.850 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.624 -6.732 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.473 -7.432 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.746 -5.684 4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.571 -5.316 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.450 -7.067 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.982 -6.060 1.412 1.00 0.00 H new ATOM 212 N GLU A 16 7.078 -8.742 6.687 1.00 0.00 N ATOM 213 CA GLU A 16 6.290 -9.318 7.771 1.00 0.00 C ATOM 214 C GLU A 16 6.668 -8.744 9.137 1.00 0.00 C ATOM 215 O GLU A 16 5.790 -8.199 9.810 1.00 0.00 O ATOM 216 CB GLU A 16 6.388 -10.837 7.849 1.00 0.00 C ATOM 217 CG GLU A 16 5.754 -11.570 6.669 1.00 0.00 C ATOM 218 CD GLU A 16 5.296 -12.952 7.114 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.136 -13.881 7.115 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.125 -13.087 7.542 1.00 0.00 O ATOM 0 H GLU A 16 7.563 -9.412 6.091 1.00 0.00 H new ATOM 0 HA GLU A 16 5.263 -9.045 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.439 -11.119 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.910 -11.173 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.907 -11.001 6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.472 -11.659 5.854 1.00 0.00 H new ATOM 227 N GLN A 17 7.934 -8.849 9.568 1.00 0.00 N ATOM 228 CA GLN A 17 8.276 -8.365 10.909 1.00 0.00 C ATOM 229 C GLN A 17 8.250 -6.839 10.934 1.00 0.00 C ATOM 230 O GLN A 17 7.916 -6.225 11.952 1.00 0.00 O ATOM 231 CB GLN A 17 9.645 -8.881 11.381 1.00 0.00 C ATOM 232 CG GLN A 17 9.768 -10.411 11.399 1.00 0.00 C ATOM 233 CD GLN A 17 8.582 -11.123 12.057 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.133 -10.759 13.145 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.025 -12.128 11.405 1.00 0.00 N ATOM 0 H GLN A 17 8.706 -9.247 9.033 1.00 0.00 H new ATOM 0 HA GLN A 17 7.528 -8.755 11.600 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.419 -8.473 10.730 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.838 -8.500 12.384 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.871 -10.769 10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.682 -10.686 11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.402 -12.424 10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.217 -12.608 11.802 1.00 0.00 H new ATOM 244 N GLY A 18 8.548 -6.232 9.790 1.00 0.00 N ATOM 245 CA GLY A 18 8.717 -4.818 9.595 1.00 0.00 C ATOM 246 C GLY A 18 7.398 -4.104 9.752 1.00 0.00 C ATOM 247 O GLY A 18 7.394 -2.947 10.177 1.00 0.00 O ATOM 0 H GLY A 18 8.684 -6.758 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.436 -4.429 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.125 -4.628 8.602 1.00 0.00 H new ATOM 251 N PHE A 19 6.298 -4.789 9.430 1.00 0.00 N ATOM 252 CA PHE A 19 4.983 -4.179 9.403 1.00 0.00 C ATOM 253 C PHE A 19 4.041 -4.805 10.426 1.00 0.00 C ATOM 254 O PHE A 19 2.951 -4.283 10.601 1.00 0.00 O ATOM 255 CB PHE A 19 4.465 -4.166 7.955 1.00 0.00 C ATOM 256 CG PHE A 19 5.208 -3.146 7.100 1.00 0.00 C ATOM 257 CD1 PHE A 19 6.551 -3.355 6.722 1.00 0.00 C ATOM 258 CD2 PHE A 19 4.593 -1.924 6.779 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.300 -2.326 6.130 1.00 0.00 C ATOM 260 CE2 PHE A 19 5.334 -0.903 6.157 1.00 0.00 C ATOM 261 CZ PHE A 19 6.698 -1.084 5.882 1.00 0.00 C ATOM 0 H PHE A 19 6.302 -5.779 9.183 1.00 0.00 H new ATOM 0 HA PHE A 19 5.043 -3.138 9.722 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.579 -5.158 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.399 -3.937 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.009 -4.319 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.550 -1.768 7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.335 -2.490 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.851 0.025 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.282 -0.269 5.481 1.00 0.00 H new ATOM 271 N LYS A 20 4.469 -5.823 11.184 1.00 0.00 N ATOM 272 CA LYS A 20 3.668 -6.557 12.178 1.00 0.00 C ATOM 273 C LYS A 20 3.074 -5.723 13.326 1.00 0.00 C ATOM 274 O LYS A 20 2.387 -6.286 14.175 1.00 0.00 O ATOM 275 CB LYS A 20 4.488 -7.742 12.738 1.00 0.00 C ATOM 276 CG LYS A 20 3.850 -9.110 12.427 1.00 0.00 C ATOM 277 CD LYS A 20 4.741 -10.293 12.836 1.00 0.00 C ATOM 278 CE LYS A 20 4.960 -10.333 14.354 1.00 0.00 C ATOM 279 NZ LYS A 20 5.899 -11.394 14.773 1.00 0.00 N ATOM 0 H LYS A 20 5.424 -6.174 11.120 1.00 0.00 H new ATOM 0 HA LYS A 20 2.794 -6.905 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.494 -7.712 12.319 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.589 -7.630 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.894 -9.186 12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.639 -9.173 11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.282 -11.226 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.704 -10.217 12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.340 -9.367 14.687 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.002 -10.487 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.073 -11.319 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.489 -12.325 14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.797 -11.285 14.260 1.00 0.00 H new ATOM 293 N ASP A 21 3.307 -4.414 13.383 1.00 0.00 N ATOM 294 CA ASP A 21 2.628 -3.502 14.314 1.00 0.00 C ATOM 295 C ASP A 21 1.217 -3.149 13.818 1.00 0.00 C ATOM 296 O ASP A 21 0.394 -2.619 14.569 1.00 0.00 O ATOM 297 CB ASP A 21 3.450 -2.218 14.434 1.00 0.00 C ATOM 298 CG ASP A 21 2.913 -1.289 15.519 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.137 -1.568 16.719 1.00 0.00 O ATOM 300 OD2 ASP A 21 2.357 -0.214 15.190 1.00 0.00 O ATOM 0 H ASP A 21 3.981 -3.946 12.778 1.00 0.00 H new ATOM 0 HA ASP A 21 2.538 -3.996 15.281 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.487 -2.472 14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.447 -1.696 13.477 1.00 0.00 H new ATOM 305 N VAL A 22 0.923 -3.460 12.559 1.00 0.00 N ATOM 306 CA VAL A 22 -0.377 -3.474 11.908 1.00 0.00 C ATOM 307 C VAL A 22 -0.508 -4.868 11.263 1.00 0.00 C ATOM 308 O VAL A 22 0.497 -5.564 11.083 1.00 0.00 O ATOM 309 CB VAL A 22 -0.418 -2.263 10.945 1.00 0.00 C ATOM 310 CG1 VAL A 22 0.779 -2.225 9.978 1.00 0.00 C ATOM 311 CG2 VAL A 22 -1.708 -2.050 10.151 1.00 0.00 C ATOM 0 H VAL A 22 1.661 -3.734 11.910 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.240 -3.350 12.562 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.365 -1.433 11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.694 -1.354 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.706 -2.164 10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.786 -3.131 9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.604 -1.170 9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.901 -2.924 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.540 -1.904 10.840 1.00 0.00 H new ATOM 321 N PRO A 23 -1.716 -5.369 10.983 1.00 0.00 N ATOM 322 CA PRO A 23 -1.865 -6.622 10.270 1.00 0.00 C ATOM 323 C PRO A 23 -1.851 -6.365 8.762 1.00 0.00 C ATOM 324 O PRO A 23 -1.821 -5.226 8.287 1.00 0.00 O ATOM 325 CB PRO A 23 -3.181 -7.191 10.781 1.00 0.00 C ATOM 326 CG PRO A 23 -4.023 -5.932 10.970 1.00 0.00 C ATOM 327 CD PRO A 23 -3.018 -4.835 11.336 1.00 0.00 C ATOM 0 HA PRO A 23 -1.055 -7.331 10.440 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.632 -7.879 10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.053 -7.739 11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.567 -5.681 10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.764 -6.067 11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.226 -3.915 10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.069 -4.595 12.398 1.00 0.00 H new ATOM 335 N SER A 24 -1.911 -7.449 8.004 1.00 0.00 N ATOM 336 CA SER A 24 -1.931 -7.421 6.554 1.00 0.00 C ATOM 337 C SER A 24 -3.336 -7.754 6.064 1.00 0.00 C ATOM 338 O SER A 24 -4.230 -8.057 6.862 1.00 0.00 O ATOM 339 CB SER A 24 -0.873 -8.394 5.999 1.00 0.00 C ATOM 340 OG SER A 24 -0.846 -9.672 6.606 1.00 0.00 O ATOM 0 H SER A 24 -1.948 -8.392 8.391 1.00 0.00 H new ATOM 0 HA SER A 24 -1.678 -6.425 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.046 -8.522 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.110 -7.937 6.110 1.00 0.00 H new ATOM 0 HG SER A 24 0.020 -10.097 6.435 1.00 0.00 H new ATOM 346 N PHE A 25 -3.529 -7.723 4.748 1.00 0.00 N ATOM 347 CA PHE A 25 -4.680 -8.316 4.092 1.00 0.00 C ATOM 348 C PHE A 25 -4.182 -9.305 3.060 1.00 0.00 C ATOM 349 O PHE A 25 -3.064 -9.154 2.573 1.00 0.00 O ATOM 350 CB PHE A 25 -5.478 -7.210 3.429 1.00 0.00 C ATOM 351 CG PHE A 25 -6.545 -7.673 2.457 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.771 -8.185 2.921 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.297 -7.600 1.073 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.741 -8.618 2.006 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.270 -8.028 0.161 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.485 -8.553 0.629 1.00 0.00 C ATOM 0 H PHE A 25 -2.878 -7.277 4.102 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.318 -8.835 4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.953 -6.612 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.787 -6.554 2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.965 -8.244 3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.355 -7.213 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.686 -9.002 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.086 -7.954 -0.901 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.225 -8.908 -0.074 1.00 0.00 H new ATOM 366 N VAL A 26 -5.017 -10.267 2.685 1.00 0.00 N ATOM 367 CA VAL A 26 -4.729 -11.267 1.689 1.00 0.00 C ATOM 368 C VAL A 26 -5.960 -11.430 0.802 1.00 0.00 C ATOM 369 O VAL A 26 -7.071 -11.544 1.334 1.00 0.00 O ATOM 370 CB VAL A 26 -4.272 -12.555 2.395 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.398 -13.342 3.069 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.514 -13.465 1.427 1.00 0.00 C ATOM 0 H VAL A 26 -5.948 -10.367 3.089 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.909 -10.978 1.031 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.612 -12.221 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.986 -14.234 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.876 -12.719 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.135 -13.635 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.200 -14.370 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.165 -13.733 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.636 -12.942 1.048 1.00 0.00 H new ATOM 382 N HIS A 27 -5.778 -11.463 -0.523 1.00 0.00 N ATOM 383 CA HIS A 27 -6.805 -11.949 -1.440 1.00 0.00 C ATOM 384 C HIS A 27 -6.286 -13.089 -2.320 1.00 0.00 C ATOM 385 O HIS A 27 -5.162 -13.541 -2.169 1.00 0.00 O ATOM 386 CB HIS A 27 -7.440 -10.785 -2.186 1.00 0.00 C ATOM 387 CG HIS A 27 -6.534 -9.879 -2.966 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.934 -8.670 -3.467 1.00 0.00 N ATOM 389 CD2 HIS A 27 -5.208 -10.044 -3.265 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.866 -8.120 -4.052 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.779 -8.904 -3.948 1.00 0.00 N ATOM 0 H HIS A 27 -4.921 -11.156 -0.983 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.616 -12.407 -0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.181 -11.192 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.980 -10.176 -1.461 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.869 -8.266 -3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.602 -10.903 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.875 -7.161 -4.549 1.00 0.00 H new ATOM 399 N GLU A 28 -7.093 -13.594 -3.232 1.00 0.00 N ATOM 400 CA GLU A 28 -6.891 -14.883 -3.906 1.00 0.00 C ATOM 401 C GLU A 28 -6.060 -14.780 -5.201 1.00 0.00 C ATOM 402 O GLU A 28 -6.356 -15.462 -6.188 1.00 0.00 O ATOM 403 CB GLU A 28 -8.265 -15.553 -4.112 1.00 0.00 C ATOM 404 CG GLU A 28 -8.957 -15.905 -2.782 1.00 0.00 C ATOM 405 CD GLU A 28 -10.344 -15.277 -2.626 1.00 0.00 C ATOM 406 OE1 GLU A 28 -11.332 -15.852 -3.142 1.00 0.00 O ATOM 407 OE2 GLU A 28 -10.502 -14.291 -1.869 1.00 0.00 O ATOM 0 H GLU A 28 -7.937 -13.112 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.281 -15.519 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.908 -14.886 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.138 -16.460 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.048 -16.989 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.325 -15.579 -1.956 1.00 0.00 H new ATOM 414 N GLY A 29 -5.009 -13.948 -5.229 1.00 0.00 N ATOM 415 CA GLY A 29 -4.247 -13.626 -6.445 1.00 0.00 C ATOM 416 C GLY A 29 -5.130 -13.078 -7.571 1.00 0.00 C ATOM 417 O GLY A 29 -6.322 -12.852 -7.365 1.00 0.00 O ATOM 0 H GLY A 29 -4.659 -13.473 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.478 -12.893 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.734 -14.522 -6.795 1.00 0.00 H new ATOM 421 N GLY A 30 -4.561 -12.835 -8.755 1.00 0.00 N ATOM 422 CA GLY A 30 -5.260 -12.147 -9.838 1.00 0.00 C ATOM 423 C GLY A 30 -5.365 -10.653 -9.528 1.00 0.00 C ATOM 424 O GLY A 30 -5.697 -10.260 -8.407 1.00 0.00 O ATOM 0 H GLY A 30 -3.606 -13.109 -8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.727 -12.295 -10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.256 -12.571 -9.966 1.00 0.00 H new ATOM 428 N ASP A 31 -5.017 -9.818 -10.502 1.00 0.00 N ATOM 429 CA ASP A 31 -4.809 -8.387 -10.298 1.00 0.00 C ATOM 430 C ASP A 31 -6.061 -7.630 -9.882 1.00 0.00 C ATOM 431 O ASP A 31 -7.171 -7.987 -10.279 1.00 0.00 O ATOM 432 CB ASP A 31 -4.171 -7.728 -11.511 1.00 0.00 C ATOM 433 CG ASP A 31 -5.130 -7.563 -12.689 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.202 -8.469 -13.547 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.775 -6.504 -12.827 1.00 0.00 O ATOM 0 H ASP A 31 -4.870 -10.118 -11.466 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.118 -8.325 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.789 -6.748 -11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.315 -8.323 -11.830 1.00 0.00 H new ATOM 440 N VAL A 32 -5.876 -6.581 -9.073 1.00 0.00 N ATOM 441 CA VAL A 32 -6.948 -5.837 -8.416 1.00 0.00 C ATOM 442 C VAL A 32 -6.465 -4.416 -8.173 1.00 0.00 C ATOM 443 O VAL A 32 -5.344 -4.254 -7.715 1.00 0.00 O ATOM 444 CB VAL A 32 -7.310 -6.539 -7.096 1.00 0.00 C ATOM 445 CG1 VAL A 32 -8.073 -5.711 -6.043 1.00 0.00 C ATOM 446 CG2 VAL A 32 -8.126 -7.823 -7.299 1.00 0.00 C ATOM 0 H VAL A 32 -4.948 -6.218 -8.853 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.842 -5.803 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.311 -6.737 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.263 -6.327 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.475 -4.846 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.021 -5.374 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.349 -8.270 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.058 -7.585 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.552 -8.528 -7.900 1.00 0.00 H new ATOM 456 N PRO A 33 -7.281 -3.386 -8.425 1.00 0.00 N ATOM 457 CA PRO A 33 -6.860 -2.000 -8.356 1.00 0.00 C ATOM 458 C PRO A 33 -6.491 -1.604 -6.940 1.00 0.00 C ATOM 459 O PRO A 33 -7.164 -2.009 -5.991 1.00 0.00 O ATOM 460 CB PRO A 33 -8.015 -1.191 -8.943 1.00 0.00 C ATOM 461 CG PRO A 33 -9.230 -2.064 -8.662 1.00 0.00 C ATOM 462 CD PRO A 33 -8.684 -3.489 -8.749 1.00 0.00 C ATOM 0 HA PRO A 33 -5.950 -1.813 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.103 -0.213 -8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.883 -1.017 -10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.652 -1.857 -7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.022 -1.894 -9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.200 -4.150 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.827 -3.904 -9.747 1.00 0.00 H new ATOM 470 N LEU A 34 -5.487 -0.725 -6.805 1.00 0.00 N ATOM 471 CA LEU A 34 -5.163 -0.102 -5.528 1.00 0.00 C ATOM 472 C LEU A 34 -6.417 0.366 -4.743 1.00 0.00 C ATOM 473 O LEU A 34 -6.525 0.151 -3.532 1.00 0.00 O ATOM 474 CB LEU A 34 -3.962 0.873 -5.584 1.00 0.00 C ATOM 475 CG LEU A 34 -3.663 1.795 -6.787 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.890 2.271 -7.569 1.00 0.00 C ATOM 477 CD2 LEU A 34 -2.745 2.950 -6.385 1.00 0.00 C ATOM 0 H LEU A 34 -4.886 -0.433 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.764 -0.892 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.056 1.524 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.069 0.267 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.133 1.164 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.571 2.911 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.425 1.409 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.549 2.832 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.553 3.581 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.225 3.542 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.802 2.552 -6.010 1.00 0.00 H new ATOM 489 N VAL A 35 -7.420 0.913 -5.438 1.00 0.00 N ATOM 490 CA VAL A 35 -8.653 1.450 -4.853 1.00 0.00 C ATOM 491 C VAL A 35 -9.666 0.375 -4.437 1.00 0.00 C ATOM 492 O VAL A 35 -10.569 0.690 -3.666 1.00 0.00 O ATOM 493 CB VAL A 35 -9.223 2.528 -5.805 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.380 2.033 -7.250 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.538 3.160 -5.337 1.00 0.00 C ATOM 0 H VAL A 35 -7.395 0.997 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.412 1.924 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.462 3.308 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.784 2.835 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.408 1.730 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.060 1.181 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.863 3.904 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.300 2.387 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.387 3.640 -4.370 1.00 0.00 H new ATOM 505 N GLU A 36 -9.511 -0.886 -4.847 1.00 0.00 N ATOM 506 CA GLU A 36 -10.277 -1.982 -4.263 1.00 0.00 C ATOM 507 C GLU A 36 -9.411 -2.720 -3.239 1.00 0.00 C ATOM 508 O GLU A 36 -9.947 -3.138 -2.222 1.00 0.00 O ATOM 509 CB GLU A 36 -10.817 -2.950 -5.330 1.00 0.00 C ATOM 510 CG GLU A 36 -11.860 -2.342 -6.294 1.00 0.00 C ATOM 511 CD GLU A 36 -13.277 -2.130 -5.742 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.575 -2.359 -4.549 1.00 0.00 O ATOM 513 OE2 GLU A 36 -14.161 -1.698 -6.529 1.00 0.00 O ATOM 0 H GLU A 36 -8.862 -1.170 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.148 -1.558 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.978 -3.326 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.265 -3.808 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.483 -1.379 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.930 -2.988 -7.169 1.00 0.00 H new ATOM 520 N LEU A 37 -8.083 -2.839 -3.390 1.00 0.00 N ATOM 521 CA LEU A 37 -7.290 -3.639 -2.465 1.00 0.00 C ATOM 522 C LEU A 37 -7.202 -2.898 -1.157 1.00 0.00 C ATOM 523 O LEU A 37 -7.148 -3.567 -0.140 1.00 0.00 O ATOM 524 CB LEU A 37 -5.896 -4.032 -2.997 1.00 0.00 C ATOM 525 CG LEU A 37 -4.917 -2.857 -3.168 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.102 -2.437 -1.938 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.906 -3.159 -4.272 1.00 0.00 C ATOM 0 H LEU A 37 -7.548 -2.395 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.798 -4.594 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.454 -4.759 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.017 -4.529 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.588 -2.029 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.455 -1.600 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.779 -2.137 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.493 -3.276 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.222 -2.317 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.342 -4.055 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.432 -3.321 -5.213 1.00 0.00 H new ATOM 539 N LEU A 38 -7.220 -1.558 -1.128 1.00 0.00 N ATOM 540 CA LEU A 38 -7.153 -0.853 0.128 1.00 0.00 C ATOM 541 C LEU A 38 -8.501 -0.922 0.840 1.00 0.00 C ATOM 542 O LEU A 38 -8.569 -0.872 2.063 1.00 0.00 O ATOM 543 CB LEU A 38 -6.642 0.594 -0.029 1.00 0.00 C ATOM 544 CG LEU A 38 -7.725 1.701 0.037 1.00 0.00 C ATOM 545 CD1 LEU A 38 -7.079 3.059 0.299 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.622 1.692 -1.205 1.00 0.00 C ATOM 0 H LEU A 38 -7.280 -0.962 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.413 -1.352 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.905 0.786 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.124 0.675 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.387 1.492 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.851 3.827 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.542 3.030 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.382 3.291 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.368 2.482 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.014 1.860 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.123 0.727 -1.285 1.00 0.00 H new ATOM 558 N VAL A 39 -9.575 -0.972 0.066 1.00 0.00 N ATOM 559 CA VAL A 39 -10.959 -0.971 0.510 1.00 0.00 C ATOM 560 C VAL A 39 -11.235 -2.333 1.132 1.00 0.00 C ATOM 561 O VAL A 39 -11.775 -2.422 2.232 1.00 0.00 O ATOM 562 CB VAL A 39 -11.812 -0.618 -0.735 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.770 -1.685 -1.279 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.630 0.655 -0.546 1.00 0.00 C ATOM 0 H VAL A 39 -9.498 -1.017 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.201 -0.238 1.279 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.021 -0.503 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.296 -1.292 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.203 -2.570 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.493 -1.952 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.208 0.854 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.308 0.530 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.960 1.493 -0.352 1.00 0.00 H new ATOM 574 N SER A 40 -10.800 -3.369 0.427 1.00 0.00 N ATOM 575 CA SER A 40 -10.829 -4.764 0.785 1.00 0.00 C ATOM 576 C SER A 40 -9.903 -4.957 1.984 1.00 0.00 C ATOM 577 O SER A 40 -10.283 -5.640 2.938 1.00 0.00 O ATOM 578 CB SER A 40 -10.404 -5.573 -0.454 1.00 0.00 C ATOM 579 OG SER A 40 -10.822 -6.916 -0.423 1.00 0.00 O ATOM 0 H SER A 40 -10.381 -3.231 -0.493 1.00 0.00 H new ATOM 0 HA SER A 40 -11.819 -5.111 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.810 -5.096 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.318 -5.542 -0.543 1.00 0.00 H new ATOM 0 HG SER A 40 -10.209 -7.437 0.137 1.00 0.00 H new ATOM 585 N ALA A 41 -8.723 -4.313 1.983 1.00 0.00 N ATOM 586 CA ALA A 41 -7.784 -4.503 3.084 1.00 0.00 C ATOM 587 C ALA A 41 -8.110 -3.665 4.322 1.00 0.00 C ATOM 588 O ALA A 41 -7.629 -3.991 5.410 1.00 0.00 O ATOM 589 CB ALA A 41 -6.360 -4.268 2.593 1.00 0.00 C ATOM 0 H ALA A 41 -8.409 -3.675 1.251 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.880 -5.537 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.662 -4.411 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.129 -4.975 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.269 -3.250 2.213 1.00 0.00 H new ATOM 595 N GLY A 42 -8.927 -2.617 4.186 1.00 0.00 N ATOM 596 CA GLY A 42 -9.495 -1.897 5.319 1.00 0.00 C ATOM 597 C GLY A 42 -8.647 -0.694 5.706 1.00 0.00 C ATOM 598 O GLY A 42 -8.638 -0.266 6.859 1.00 0.00 O ATOM 0 H GLY A 42 -9.212 -2.245 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.504 -1.566 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.581 -2.571 6.172 1.00 0.00 H new ATOM 602 N ILE A 43 -7.969 -0.115 4.719 1.00 0.00 N ATOM 603 CA ILE A 43 -7.180 1.091 4.837 1.00 0.00 C ATOM 604 C ILE A 43 -8.212 2.231 4.812 1.00 0.00 C ATOM 605 O ILE A 43 -8.149 3.091 5.685 1.00 0.00 O ATOM 606 CB ILE A 43 -6.199 1.161 3.636 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.003 0.173 3.615 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.547 2.555 3.507 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.407 -1.285 3.714 1.00 0.00 C ATOM 0 H ILE A 43 -7.959 -0.498 3.774 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.573 1.140 5.741 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.874 0.896 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.438 0.321 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.334 0.411 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.868 2.561 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.322 3.307 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.990 2.782 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.516 -1.912 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.945 -1.451 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.051 -1.542 2.873 1.00 0.00 H new ATOM 621 N SER A 44 -9.178 2.233 3.882 1.00 0.00 N ATOM 622 CA SER A 44 -10.280 3.192 3.838 1.00 0.00 C ATOM 623 C SER A 44 -11.407 2.508 3.087 1.00 0.00 C ATOM 624 O SER A 44 -11.209 2.223 1.913 1.00 0.00 O ATOM 625 CB SER A 44 -9.849 4.481 3.127 1.00 0.00 C ATOM 626 OG SER A 44 -9.080 5.271 4.010 1.00 0.00 O ATOM 0 H SER A 44 -9.211 1.551 3.125 1.00 0.00 H new ATOM 0 HA SER A 44 -10.596 3.480 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.268 4.241 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.726 5.037 2.795 1.00 0.00 H new ATOM 0 HG SER A 44 -8.370 5.725 3.509 1.00 0.00 H new ATOM 632 N PRO A 45 -12.549 2.194 3.721 1.00 0.00 N ATOM 633 CA PRO A 45 -13.639 1.486 3.062 1.00 0.00 C ATOM 634 C PRO A 45 -14.554 2.399 2.244 1.00 0.00 C ATOM 635 O PRO A 45 -15.346 1.918 1.439 1.00 0.00 O ATOM 636 CB PRO A 45 -14.438 0.870 4.209 1.00 0.00 C ATOM 637 CG PRO A 45 -14.281 1.889 5.335 1.00 0.00 C ATOM 638 CD PRO A 45 -12.848 2.383 5.136 1.00 0.00 C ATOM 0 HA PRO A 45 -13.242 0.762 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.484 0.727 3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.046 -0.107 4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.005 2.700 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.421 1.435 6.316 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.755 3.432 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.152 1.822 5.760 1.00 0.00 H new ATOM 646 N SER A 46 -14.499 3.708 2.487 1.00 0.00 N ATOM 647 CA SER A 46 -15.505 4.620 1.973 1.00 0.00 C ATOM 648 C SER A 46 -15.043 4.977 0.573 1.00 0.00 C ATOM 649 O SER A 46 -13.947 5.518 0.445 1.00 0.00 O ATOM 650 CB SER A 46 -15.655 5.817 2.913 1.00 0.00 C ATOM 651 OG SER A 46 -16.983 6.300 2.901 1.00 0.00 O ATOM 0 H SER A 46 -13.766 4.155 3.037 1.00 0.00 H new ATOM 0 HA SER A 46 -16.504 4.187 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.378 5.527 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.972 6.611 2.611 1.00 0.00 H new ATOM 0 HG SER A 46 -17.059 7.064 3.510 1.00 0.00 H new ATOM 657 N LYS A 47 -15.794 4.622 -0.471 1.00 0.00 N ATOM 658 CA LYS A 47 -15.271 4.616 -1.838 1.00 0.00 C ATOM 659 C LYS A 47 -14.675 5.950 -2.285 1.00 0.00 C ATOM 660 O LYS A 47 -13.653 5.941 -2.962 1.00 0.00 O ATOM 661 CB LYS A 47 -16.326 4.091 -2.835 1.00 0.00 C ATOM 662 CG LYS A 47 -15.734 3.034 -3.784 1.00 0.00 C ATOM 663 CD LYS A 47 -15.525 1.690 -3.065 1.00 0.00 C ATOM 664 CE LYS A 47 -14.754 0.708 -3.954 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.623 -0.322 -4.548 1.00 0.00 N ATOM 0 H LYS A 47 -16.770 4.334 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.430 3.922 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.163 3.659 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.722 4.923 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.400 2.893 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.782 3.389 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.979 1.851 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.491 1.262 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.255 1.260 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.975 0.225 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.253 -0.592 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.644 -1.157 -3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.586 0.055 -4.654 1.00 0.00 H new ATOM 679 N ARG A 48 -15.234 7.097 -1.897 1.00 0.00 N ATOM 680 CA ARG A 48 -14.655 8.400 -2.234 1.00 0.00 C ATOM 681 C ARG A 48 -13.341 8.606 -1.477 1.00 0.00 C ATOM 682 O ARG A 48 -12.346 9.075 -2.048 1.00 0.00 O ATOM 683 CB ARG A 48 -15.694 9.498 -1.934 1.00 0.00 C ATOM 684 CG ARG A 48 -15.365 10.844 -2.593 1.00 0.00 C ATOM 685 CD ARG A 48 -14.586 11.809 -1.693 1.00 0.00 C ATOM 686 NE ARG A 48 -14.168 13.005 -2.444 1.00 0.00 N ATOM 687 CZ ARG A 48 -13.561 14.093 -1.952 1.00 0.00 C ATOM 688 NH1 ARG A 48 -13.366 14.249 -0.645 1.00 0.00 N ATOM 689 NH2 ARG A 48 -13.147 15.036 -2.788 1.00 0.00 N ATOM 0 H ARG A 48 -16.091 7.151 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.412 8.449 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.674 9.164 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.763 9.637 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.786 10.661 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.295 11.322 -2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.206 12.104 -0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.709 11.305 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.361 13.005 -3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.681 13.531 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.901 15.087 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.292 14.927 -3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.683 15.870 -2.427 1.00 0.00 H new ATOM 703 N GLN A 49 -13.323 8.238 -0.191 1.00 0.00 N ATOM 704 CA GLN A 49 -12.129 8.377 0.621 1.00 0.00 C ATOM 705 C GLN A 49 -11.037 7.529 0.027 1.00 0.00 C ATOM 706 O GLN A 49 -9.960 8.037 -0.240 1.00 0.00 O ATOM 707 CB GLN A 49 -12.383 7.941 2.077 1.00 0.00 C ATOM 708 CG GLN A 49 -11.382 8.564 3.058 1.00 0.00 C ATOM 709 CD GLN A 49 -11.407 10.085 2.979 1.00 0.00 C ATOM 710 OE1 GLN A 49 -12.350 10.728 3.432 1.00 0.00 O ATOM 711 NE2 GLN A 49 -10.417 10.684 2.341 1.00 0.00 N ATOM 0 H GLN A 49 -14.125 7.843 0.301 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.837 9.427 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.395 8.224 2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.324 6.855 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.618 8.246 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.378 8.202 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.642 10.134 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.428 11.697 2.218 1.00 0.00 H new ATOM 720 N ALA A 50 -11.362 6.261 -0.201 1.00 0.00 N ATOM 721 CA ALA A 50 -10.527 5.261 -0.802 1.00 0.00 C ATOM 722 C ALA A 50 -9.939 5.788 -2.108 1.00 0.00 C ATOM 723 O ALA A 50 -8.726 5.765 -2.306 1.00 0.00 O ATOM 724 CB ALA A 50 -11.386 4.019 -1.043 1.00 0.00 C ATOM 0 H ALA A 50 -12.280 5.894 0.051 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.693 5.008 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.777 3.239 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.782 3.660 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.212 4.271 -1.708 1.00 0.00 H new ATOM 730 N ARG A 51 -10.810 6.303 -2.983 1.00 0.00 N ATOM 731 CA ARG A 51 -10.411 6.851 -4.264 1.00 0.00 C ATOM 732 C ARG A 51 -9.338 7.899 -4.109 1.00 0.00 C ATOM 733 O ARG A 51 -8.340 7.823 -4.830 1.00 0.00 O ATOM 734 CB ARG A 51 -11.613 7.415 -5.040 1.00 0.00 C ATOM 735 CG ARG A 51 -12.328 6.321 -5.833 1.00 0.00 C ATOM 736 CD ARG A 51 -13.593 6.860 -6.505 1.00 0.00 C ATOM 737 NE ARG A 51 -14.194 5.856 -7.395 1.00 0.00 N ATOM 738 CZ ARG A 51 -13.663 5.323 -8.504 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.551 5.811 -9.046 1.00 0.00 N ATOM 740 NH2 ARG A 51 -14.255 4.280 -9.063 1.00 0.00 N ATOM 0 H ARG A 51 -11.815 6.347 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.995 6.028 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.312 7.878 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.275 8.197 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.655 5.918 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.589 5.498 -5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.315 7.153 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.350 7.756 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.124 5.526 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.082 6.609 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.167 5.387 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.103 3.893 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.863 3.863 -9.907 1.00 0.00 H new ATOM 754 N GLU A 52 -9.525 8.851 -3.199 1.00 0.00 N ATOM 755 CA GLU A 52 -8.512 9.902 -3.085 1.00 0.00 C ATOM 756 C GLU A 52 -7.298 9.427 -2.321 1.00 0.00 C ATOM 757 O GLU A 52 -6.185 9.847 -2.623 1.00 0.00 O ATOM 758 CB GLU A 52 -9.096 11.125 -2.391 1.00 0.00 C ATOM 759 CG GLU A 52 -8.129 12.318 -2.318 1.00 0.00 C ATOM 760 CD GLU A 52 -8.844 13.502 -1.667 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.119 13.446 -0.442 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.195 14.461 -2.395 1.00 0.00 O ATOM 0 H GLU A 52 -10.319 8.921 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.201 10.164 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.999 11.433 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.395 10.849 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.244 12.050 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.788 12.588 -3.318 1.00 0.00 H new ATOM 769 N ASP A 53 -7.493 8.534 -1.361 1.00 0.00 N ATOM 770 CA ASP A 53 -6.448 7.888 -0.621 1.00 0.00 C ATOM 771 C ASP A 53 -5.580 7.051 -1.529 1.00 0.00 C ATOM 772 O ASP A 53 -4.465 6.732 -1.130 1.00 0.00 O ATOM 773 CB ASP A 53 -7.096 7.003 0.446 1.00 0.00 C ATOM 774 CG ASP A 53 -7.397 7.736 1.753 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.006 8.915 1.902 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.979 7.127 2.674 1.00 0.00 O ATOM 0 H ASP A 53 -8.425 8.236 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.811 8.641 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.024 6.591 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.437 6.161 0.656 1.00 0.00 H new ATOM 781 N ILE A 54 -6.073 6.732 -2.724 1.00 0.00 N ATOM 782 CA ILE A 54 -5.315 6.142 -3.793 1.00 0.00 C ATOM 783 C ILE A 54 -4.691 7.169 -4.693 1.00 0.00 C ATOM 784 O ILE A 54 -3.493 7.078 -4.895 1.00 0.00 O ATOM 785 CB ILE A 54 -6.146 5.089 -4.559 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.643 3.719 -4.115 1.00 0.00 C ATOM 787 CG2 ILE A 54 -6.088 5.156 -6.098 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.929 3.444 -2.653 1.00 0.00 C ATOM 0 H ILE A 54 -7.050 6.889 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.478 5.610 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.190 5.288 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.112 2.947 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.569 3.655 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.711 4.367 -6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.454 6.126 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.058 5.022 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.551 2.457 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.438 4.198 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.005 3.479 -2.480 1.00 0.00 H new ATOM 800 N GLN A 55 -5.462 8.086 -5.279 1.00 0.00 N ATOM 801 CA GLN A 55 -4.926 8.985 -6.289 1.00 0.00 C ATOM 802 C GLN A 55 -4.030 10.041 -5.671 1.00 0.00 C ATOM 803 O GLN A 55 -3.402 10.808 -6.408 1.00 0.00 O ATOM 804 CB GLN A 55 -6.064 9.623 -7.081 1.00 0.00 C ATOM 805 CG GLN A 55 -6.426 8.706 -8.253 1.00 0.00 C ATOM 806 CD GLN A 55 -7.794 9.050 -8.815 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.810 8.644 -8.261 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.870 9.819 -9.881 1.00 0.00 N ATOM 0 H GLN A 55 -6.451 8.222 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.311 8.402 -6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.932 9.775 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.764 10.604 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.674 8.798 -9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.416 7.667 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.018 10.150 -10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.781 10.084 -10.255 1.00 0.00 H new ATOM 817 N ASN A 56 -3.958 10.107 -4.339 1.00 0.00 N ATOM 818 CA ASN A 56 -2.953 10.928 -3.718 1.00 0.00 C ATOM 819 C ASN A 56 -1.606 10.269 -3.723 1.00 0.00 C ATOM 820 O ASN A 56 -1.426 9.144 -3.279 1.00 0.00 O ATOM 821 CB ASN A 56 -3.305 11.359 -2.284 1.00 0.00 C ATOM 822 CG ASN A 56 -3.832 12.776 -2.293 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.158 13.687 -1.824 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.992 12.991 -2.875 1.00 0.00 N ATOM 0 H ASN A 56 -4.574 9.610 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.917 11.828 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.052 10.685 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.423 11.293 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.358 13.940 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.525 12.208 -3.254 1.00 0.00 H new ATOM 831 N GLY A 57 -0.602 11.080 -4.009 1.00 0.00 N ATOM 832 CA GLY A 57 0.789 10.783 -3.765 1.00 0.00 C ATOM 833 C GLY A 57 1.136 10.961 -2.295 1.00 0.00 C ATOM 834 O GLY A 57 2.138 11.581 -1.944 1.00 0.00 O ATOM 0 H GLY A 57 -0.744 11.997 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.005 9.760 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.416 11.437 -4.372 1.00 0.00 H new ATOM 838 N ALA A 58 0.263 10.414 -1.462 1.00 0.00 N ATOM 839 CA ALA A 58 0.400 10.146 -0.051 1.00 0.00 C ATOM 840 C ALA A 58 0.093 8.674 0.247 1.00 0.00 C ATOM 841 O ALA A 58 -0.087 8.338 1.418 1.00 0.00 O ATOM 842 CB ALA A 58 -0.399 11.179 0.734 1.00 0.00 C ATOM 0 H ALA A 58 -0.653 10.119 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 58 1.429 10.267 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.299 10.982 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.020 12.177 0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.450 11.119 0.450 1.00 0.00 H new ATOM 848 N ILE A 59 -0.025 7.810 -0.771 1.00 0.00 N ATOM 849 CA ILE A 59 0.039 6.365 -0.650 1.00 0.00 C ATOM 850 C ILE A 59 1.363 5.987 -1.353 1.00 0.00 C ATOM 851 O ILE A 59 1.520 5.908 -2.579 1.00 0.00 O ATOM 852 CB ILE A 59 -1.316 5.752 -1.030 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.481 4.244 -0.842 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.809 6.218 -2.399 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.763 3.455 -1.919 1.00 0.00 C ATOM 0 H ILE A 59 -0.173 8.120 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 59 0.128 5.921 0.342 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.974 6.163 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.095 3.956 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.541 3.991 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.771 5.754 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.922 7.302 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.086 5.931 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.907 2.389 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.167 3.722 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.302 3.686 -1.891 1.00 0.00 H new ATOM 867 N TYR A 60 2.399 5.936 -0.519 1.00 0.00 N ATOM 868 CA TYR A 60 3.737 5.505 -0.855 1.00 0.00 C ATOM 869 C TYR A 60 3.763 3.992 -0.783 1.00 0.00 C ATOM 870 O TYR A 60 3.429 3.422 0.252 1.00 0.00 O ATOM 871 CB TYR A 60 4.758 6.165 0.081 1.00 0.00 C ATOM 872 CG TYR A 60 4.416 7.582 0.509 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.681 8.661 -0.350 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.812 7.820 1.758 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.356 9.973 0.034 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.489 9.127 2.156 1.00 0.00 C ATOM 877 CZ TYR A 60 3.769 10.211 1.296 1.00 0.00 C ATOM 878 OH TYR A 60 3.467 11.476 1.680 1.00 0.00 O ATOM 0 H TYR A 60 2.314 6.211 0.460 1.00 0.00 H new ATOM 0 HA TYR A 60 4.013 5.812 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.862 5.548 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.729 6.176 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.138 8.481 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.595 6.991 2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.555 10.798 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.028 9.303 3.117 1.00 0.00 H new ATOM 0 HH TYR A 60 3.068 11.460 2.575 1.00 0.00 H new ATOM 888 N VAL A 61 4.119 3.335 -1.875 1.00 0.00 N ATOM 889 CA VAL A 61 4.167 1.880 -1.945 1.00 0.00 C ATOM 890 C VAL A 61 5.593 1.436 -2.161 1.00 0.00 C ATOM 891 O VAL A 61 6.312 2.036 -2.951 1.00 0.00 O ATOM 892 CB VAL A 61 3.227 1.340 -3.024 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.127 -0.188 -3.014 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.833 1.904 -2.767 1.00 0.00 C ATOM 0 H VAL A 61 4.385 3.797 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 61 3.816 1.466 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 61 3.628 1.642 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.446 -0.513 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.113 -0.618 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.750 -0.522 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.144 1.532 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.490 1.591 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.867 2.993 -2.811 1.00 0.00 H new ATOM 904 N ASN A 62 6.007 0.406 -1.419 1.00 0.00 N ATOM 905 CA ASN A 62 7.373 -0.144 -1.356 1.00 0.00 C ATOM 906 C ASN A 62 8.427 0.849 -0.861 1.00 0.00 C ATOM 907 O ASN A 62 9.472 0.431 -0.379 1.00 0.00 O ATOM 908 CB ASN A 62 7.790 -0.776 -2.698 1.00 0.00 C ATOM 909 CG ASN A 62 7.922 -2.282 -2.742 1.00 0.00 C ATOM 910 OD1 ASN A 62 8.293 -2.788 -3.791 1.00 0.00 O ATOM 911 ND2 ASN A 62 7.645 -3.033 -1.681 1.00 0.00 N ATOM 0 H ASN A 62 5.364 -0.099 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 62 7.331 -0.928 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.061 -0.479 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.747 -0.344 -2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.741 -4.047 -1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.337 -2.595 -0.813 1.00 0.00 H new ATOM 918 N GLY A 63 8.118 2.136 -0.870 1.00 0.00 N ATOM 919 CA GLY A 63 8.955 3.226 -0.433 1.00 0.00 C ATOM 920 C GLY A 63 8.654 4.540 -1.143 1.00 0.00 C ATOM 921 O GLY A 63 9.196 5.559 -0.719 1.00 0.00 O ATOM 0 H GLY A 63 7.212 2.462 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.828 3.364 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.999 2.962 -0.599 1.00 0.00 H new ATOM 925 N GLU A 64 7.793 4.562 -2.170 1.00 0.00 N ATOM 926 CA GLU A 64 7.723 5.682 -3.099 1.00 0.00 C ATOM 927 C GLU A 64 6.292 5.898 -3.573 1.00 0.00 C ATOM 928 O GLU A 64 5.456 5.003 -3.544 1.00 0.00 O ATOM 929 CB GLU A 64 8.693 5.436 -4.264 1.00 0.00 C ATOM 930 CG GLU A 64 8.386 4.182 -5.104 1.00 0.00 C ATOM 931 CD GLU A 64 9.612 3.742 -5.902 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.617 3.326 -5.281 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.605 3.795 -7.152 1.00 0.00 O ATOM 0 H GLU A 64 7.135 3.809 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 64 8.026 6.600 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.681 6.307 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.704 5.351 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.064 3.372 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.560 4.389 -5.785 1.00 0.00 H new ATOM 940 N ARG A 65 5.980 7.127 -3.953 1.00 0.00 N ATOM 941 CA ARG A 65 4.641 7.650 -4.143 1.00 0.00 C ATOM 942 C ARG A 65 4.004 7.019 -5.370 1.00 0.00 C ATOM 943 O ARG A 65 4.340 7.427 -6.481 1.00 0.00 O ATOM 944 CB ARG A 65 4.834 9.180 -4.270 1.00 0.00 C ATOM 945 CG ARG A 65 3.665 10.004 -4.815 1.00 0.00 C ATOM 946 CD ARG A 65 4.020 10.755 -6.114 1.00 0.00 C ATOM 947 NE ARG A 65 2.867 11.446 -6.738 1.00 0.00 N ATOM 948 CZ ARG A 65 2.653 11.560 -8.060 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.551 11.146 -8.947 1.00 0.00 N ATOM 950 NH2 ARG A 65 1.525 12.081 -8.527 1.00 0.00 N ATOM 0 H ARG A 65 6.698 7.825 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 65 3.961 7.420 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.087 9.569 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.697 9.357 -4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.817 9.345 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.349 10.723 -4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.798 11.488 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.438 10.047 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 65 2.180 11.869 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.427 10.730 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.365 11.244 -9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.805 12.402 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.378 12.160 -9.533 1.00 0.00 H new ATOM 964 N LEU A 66 3.059 6.088 -5.207 1.00 0.00 N ATOM 965 CA LEU A 66 2.509 5.343 -6.337 1.00 0.00 C ATOM 966 C LEU A 66 0.988 5.312 -6.195 1.00 0.00 C ATOM 967 O LEU A 66 0.447 4.590 -5.364 1.00 0.00 O ATOM 968 CB LEU A 66 3.161 3.968 -6.416 1.00 0.00 C ATOM 969 CG LEU A 66 4.629 3.984 -6.885 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.145 2.551 -6.831 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.834 4.514 -8.310 1.00 0.00 C ATOM 0 H LEU A 66 2.661 5.834 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 66 2.732 5.825 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.112 3.499 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.582 3.344 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 66 5.168 4.663 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.185 2.526 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.077 2.178 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.543 1.923 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.895 4.490 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.283 3.890 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.470 5.539 -8.373 1.00 0.00 H new ATOM 983 N GLN A 67 0.320 6.155 -6.984 1.00 0.00 N ATOM 984 CA GLN A 67 -1.061 6.593 -6.865 1.00 0.00 C ATOM 985 C GLN A 67 -1.824 6.420 -8.181 1.00 0.00 C ATOM 986 O GLN A 67 -2.621 7.279 -8.567 1.00 0.00 O ATOM 987 CB GLN A 67 -1.033 8.054 -6.337 1.00 0.00 C ATOM 988 CG GLN A 67 -0.565 9.205 -7.231 1.00 0.00 C ATOM 989 CD GLN A 67 0.522 8.876 -8.257 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.740 8.564 -7.836 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 0.282 8.883 -9.454 1.00 0.00 N flip ATOM 0 H GLN A 67 0.776 6.582 -7.790 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.613 5.974 -6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.044 8.295 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.400 8.061 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.431 9.596 -7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.198 10.007 -6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.653 9.122 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.016 8.650 -10.123 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.566 5.326 -8.903 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.208 5.057 -10.183 1.00 0.00 C ATOM 1002 C ASP A 68 -2.572 3.584 -10.316 1.00 0.00 C ATOM 1003 O ASP A 68 -1.840 2.727 -9.824 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.272 5.485 -11.314 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.069 5.739 -12.584 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -2.366 4.784 -13.336 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.456 6.910 -12.801 1.00 0.00 O ATOM 0 H ASP A 68 -0.906 4.605 -8.613 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.134 5.629 -10.242 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.732 6.387 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.526 4.710 -11.492 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.673 3.277 -11.003 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.066 1.905 -11.322 1.00 0.00 C ATOM 1014 C VAL A 69 -2.975 1.208 -12.141 1.00 0.00 C ATOM 1015 O VAL A 69 -2.670 0.044 -11.893 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.478 1.925 -11.976 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.548 1.497 -13.450 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.460 1.081 -11.158 1.00 0.00 C ATOM 0 H VAL A 69 -4.322 3.980 -11.356 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.156 1.298 -10.421 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.754 2.979 -11.970 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.580 1.551 -13.796 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.928 2.162 -14.052 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.185 0.474 -13.549 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.442 1.106 -11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.105 0.051 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.532 1.484 -10.148 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.306 1.925 -13.048 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.216 1.353 -13.816 1.00 0.00 C ATOM 1030 C GLY A 70 0.058 1.197 -13.003 1.00 0.00 C ATOM 1031 O GLY A 70 0.975 0.498 -13.440 1.00 0.00 O ATOM 0 H GLY A 70 -2.506 2.902 -13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.519 0.378 -14.198 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.015 1.986 -14.680 1.00 0.00 H new ATOM 1035 N ALA A 71 0.128 1.812 -11.824 1.00 0.00 N ATOM 1036 CA ALA A 71 1.275 1.689 -10.941 1.00 0.00 C ATOM 1037 C ALA A 71 1.228 0.336 -10.246 1.00 0.00 C ATOM 1038 O ALA A 71 2.216 -0.400 -10.272 1.00 0.00 O ATOM 1039 CB ALA A 71 1.334 2.828 -9.916 1.00 0.00 C ATOM 0 H ALA A 71 -0.613 2.410 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 71 2.182 1.761 -11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.207 2.697 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.406 3.783 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.431 2.815 -9.305 1.00 0.00 H new ATOM 1045 N ILE A 72 0.114 0.016 -9.574 1.00 0.00 N ATOM 1046 CA ILE A 72 0.018 -1.112 -8.656 1.00 0.00 C ATOM 1047 C ILE A 72 -1.378 -1.717 -8.743 1.00 0.00 C ATOM 1048 O ILE A 72 -2.369 -1.004 -8.571 1.00 0.00 O ATOM 1049 CB ILE A 72 0.272 -0.666 -7.212 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.515 0.230 -7.064 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.464 -1.898 -6.300 1.00 0.00 C ATOM 1052 CD1 ILE A 72 1.251 1.259 -5.978 1.00 0.00 C ATOM 0 H ILE A 72 -0.754 0.545 -9.658 1.00 0.00 H new ATOM 0 HA ILE A 72 0.772 -1.848 -8.937 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.604 -0.087 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.386 -0.373 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.737 0.727 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.644 -1.569 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.433 -2.516 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.317 -2.480 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.125 1.900 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.389 1.866 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.049 0.750 -5.036 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.439 -3.040 -8.900 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.639 -3.828 -8.762 1.00 0.00 C ATOM 1066 C LEU A 73 -2.354 -4.872 -7.674 1.00 0.00 C ATOM 1067 O LEU A 73 -2.809 -4.767 -6.538 1.00 0.00 O ATOM 1068 CB LEU A 73 -3.083 -4.384 -10.115 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.391 -3.288 -11.160 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.762 -3.950 -12.475 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.557 -2.374 -10.828 1.00 0.00 C ATOM 0 H LEU A 73 -0.620 -3.601 -9.135 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.499 -3.240 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.302 -5.037 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.971 -4.999 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.485 -2.683 -11.192 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.981 -3.184 -13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.930 -4.564 -12.821 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.641 -4.578 -12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.685 -1.643 -11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.467 -2.966 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.357 -1.855 -9.890 1.00 0.00 H new ATOM 1083 N THR A 74 -1.505 -5.848 -7.967 1.00 0.00 N ATOM 1084 CA THR A 74 -1.173 -6.948 -7.066 1.00 0.00 C ATOM 1085 C THR A 74 0.313 -6.991 -6.733 1.00 0.00 C ATOM 1086 O THR A 74 1.093 -6.167 -7.207 1.00 0.00 O ATOM 1087 CB THR A 74 -1.712 -8.254 -7.669 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.735 -8.171 -9.083 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.133 -8.466 -7.151 1.00 0.00 C ATOM 0 H THR A 74 -1.015 -5.900 -8.860 1.00 0.00 H new ATOM 0 HA THR A 74 -1.657 -6.796 -6.101 1.00 0.00 H new ATOM 0 HB THR A 74 -1.069 -9.085 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.924 -9.056 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.538 -9.389 -7.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.117 -8.534 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.759 -7.627 -7.453 1.00 0.00 H new ATOM 1097 N ALA A 75 0.724 -7.942 -5.894 1.00 0.00 N ATOM 1098 CA ALA A 75 2.098 -8.030 -5.444 1.00 0.00 C ATOM 1099 C ALA A 75 3.097 -8.209 -6.574 1.00 0.00 C ATOM 1100 O ALA A 75 4.199 -7.676 -6.474 1.00 0.00 O ATOM 1101 CB ALA A 75 2.227 -9.165 -4.435 1.00 0.00 C ATOM 0 H ALA A 75 0.113 -8.665 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 75 2.343 -7.076 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.260 -9.234 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.576 -8.970 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.937 -10.105 -4.905 1.00 0.00 H new ATOM 1107 N GLU A 76 2.733 -8.923 -7.638 1.00 0.00 N ATOM 1108 CA GLU A 76 3.606 -9.092 -8.797 1.00 0.00 C ATOM 1109 C GLU A 76 3.529 -7.890 -9.742 1.00 0.00 C ATOM 1110 O GLU A 76 4.378 -7.715 -10.611 1.00 0.00 O ATOM 1111 CB GLU A 76 3.245 -10.414 -9.485 1.00 0.00 C ATOM 1112 CG GLU A 76 4.374 -11.003 -10.340 1.00 0.00 C ATOM 1113 CD GLU A 76 4.362 -10.559 -11.800 1.00 0.00 C ATOM 1114 OE1 GLU A 76 3.305 -10.688 -12.463 1.00 0.00 O ATOM 1115 OE2 GLU A 76 5.444 -10.172 -12.298 1.00 0.00 O ATOM 0 H GLU A 76 1.833 -9.396 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 76 4.647 -9.138 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.962 -11.142 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.370 -10.256 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.330 -10.725 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.310 -12.091 -10.304 1.00 0.00 H new ATOM 1122 N HIS A 77 2.541 -7.022 -9.530 1.00 0.00 N ATOM 1123 CA HIS A 77 2.427 -5.714 -10.152 1.00 0.00 C ATOM 1124 C HIS A 77 3.211 -4.667 -9.331 1.00 0.00 C ATOM 1125 O HIS A 77 3.221 -3.482 -9.670 1.00 0.00 O ATOM 1126 CB HIS A 77 0.946 -5.370 -10.239 1.00 0.00 C ATOM 1127 CG HIS A 77 0.633 -4.299 -11.235 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.000 -2.989 -11.131 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.310 -4.384 -12.209 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.215 -2.277 -11.937 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.547 -3.089 -12.692 1.00 0.00 N ATOM 0 H HIS A 77 1.770 -7.224 -8.894 1.00 0.00 H new ATOM 0 HA HIS A 77 2.856 -5.718 -11.154 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.388 -6.270 -10.499 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.598 -5.052 -9.256 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.745 -2.620 -10.540 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.792 -5.288 -12.551 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.193 -1.198 -11.979 1.00 0.00 H new ATOM 1139 N ARG A 78 3.837 -5.051 -8.209 1.00 0.00 N ATOM 1140 CA ARG A 78 4.682 -4.152 -7.437 1.00 0.00 C ATOM 1141 C ARG A 78 6.097 -4.727 -7.480 1.00 0.00 C ATOM 1142 O ARG A 78 6.928 -4.247 -8.244 1.00 0.00 O ATOM 1143 CB ARG A 78 4.086 -3.936 -6.031 1.00 0.00 C ATOM 1144 CG ARG A 78 4.349 -2.575 -5.353 1.00 0.00 C ATOM 1145 CD ARG A 78 5.748 -1.980 -5.489 1.00 0.00 C ATOM 1146 NE ARG A 78 6.110 -1.459 -6.815 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.366 -1.380 -7.279 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.403 -1.783 -6.545 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.560 -0.890 -8.493 1.00 0.00 N ATOM 0 H ARG A 78 3.767 -5.991 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 78 4.730 -3.146 -7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.007 -4.078 -6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.471 -4.719 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.636 -1.855 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.130 -2.680 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.847 -1.171 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.473 -2.745 -5.213 1.00 0.00 H new ATOM 0 HE ARG A 78 5.357 -1.136 -7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.250 -2.161 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.350 -1.714 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.764 -0.583 -9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.505 -0.819 -8.869 1.00 0.00 H new ATOM 1163 N LEU A 79 6.356 -5.740 -6.661 1.00 0.00 N ATOM 1164 CA LEU A 79 7.563 -6.518 -6.539 1.00 0.00 C ATOM 1165 C LEU A 79 7.547 -7.624 -7.605 1.00 0.00 C ATOM 1166 O LEU A 79 6.621 -7.740 -8.406 1.00 0.00 O ATOM 1167 CB LEU A 79 7.626 -7.146 -5.113 1.00 0.00 C ATOM 1168 CG LEU A 79 6.617 -6.752 -4.011 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.907 -7.554 -2.734 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.729 -5.314 -3.542 1.00 0.00 C ATOM 0 H LEU A 79 5.647 -6.062 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 79 8.439 -5.886 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.551 -8.226 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.621 -6.939 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 79 5.643 -6.934 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.194 -7.274 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.814 -8.619 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.919 -7.339 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.984 -5.124 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.726 -5.140 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.558 -4.643 -4.383 1.00 0.00 H new ATOM 1182 N GLU A 80 8.519 -8.524 -7.497 1.00 0.00 N ATOM 1183 CA GLU A 80 8.625 -9.851 -8.111 1.00 0.00 C ATOM 1184 C GLU A 80 7.382 -10.755 -7.968 1.00 0.00 C ATOM 1185 O GLU A 80 7.325 -11.844 -8.548 1.00 0.00 O ATOM 1186 CB GLU A 80 9.782 -10.540 -7.376 1.00 0.00 C ATOM 1187 CG GLU A 80 9.371 -10.934 -5.936 1.00 0.00 C ATOM 1188 CD GLU A 80 10.535 -11.024 -4.965 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.673 -11.295 -5.404 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.304 -10.807 -3.752 1.00 0.00 O ATOM 0 H GLU A 80 9.336 -8.326 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 80 8.759 -9.711 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.088 -11.430 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.644 -9.874 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.654 -10.204 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.860 -11.896 -5.965 1.00 0.00 H new ATOM 1197 N GLY A 81 6.428 -10.372 -7.117 1.00 0.00 N ATOM 1198 CA GLY A 81 5.324 -11.189 -6.682 1.00 0.00 C ATOM 1199 C GLY A 81 5.622 -11.881 -5.363 1.00 0.00 C ATOM 1200 O GLY A 81 6.008 -13.049 -5.329 1.00 0.00 O ATOM 0 H GLY A 81 6.415 -9.441 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.433 -10.570 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.103 -11.937 -7.443 1.00 0.00 H new ATOM 1204 N ARG A 82 5.426 -11.149 -4.262 1.00 0.00 N ATOM 1205 CA ARG A 82 5.331 -11.706 -2.915 1.00 0.00 C ATOM 1206 C ARG A 82 4.194 -10.981 -2.207 1.00 0.00 C ATOM 1207 O ARG A 82 3.078 -11.487 -2.189 1.00 0.00 O ATOM 1208 CB ARG A 82 6.669 -11.620 -2.150 1.00 0.00 C ATOM 1209 CG ARG A 82 7.759 -12.577 -2.651 1.00 0.00 C ATOM 1210 CD ARG A 82 7.432 -14.053 -2.378 1.00 0.00 C ATOM 1211 NE ARG A 82 7.354 -14.861 -3.611 1.00 0.00 N ATOM 1212 CZ ARG A 82 7.696 -16.153 -3.718 1.00 0.00 C ATOM 1213 NH1 ARG A 82 8.084 -16.814 -2.631 1.00 0.00 N ATOM 1214 NH2 ARG A 82 7.644 -16.791 -4.882 1.00 0.00 N ATOM 0 H ARG A 82 5.327 -10.134 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 82 5.114 -12.773 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.044 -10.599 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.482 -11.824 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.897 -12.433 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.705 -12.325 -2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.194 -14.473 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.483 -14.117 -1.847 1.00 0.00 H new ATOM 0 HE ARG A 82 7.011 -14.397 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.119 -16.338 -1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.347 -17.797 -2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.339 -16.298 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.910 -17.774 -4.937 1.00 0.00 H new ATOM 1228 N PHE A 83 4.453 -9.786 -1.674 1.00 0.00 N ATOM 1229 CA PHE A 83 3.496 -8.959 -0.946 1.00 0.00 C ATOM 1230 C PHE A 83 3.490 -7.556 -1.556 1.00 0.00 C ATOM 1231 O PHE A 83 3.949 -7.363 -2.676 1.00 0.00 O ATOM 1232 CB PHE A 83 3.884 -8.903 0.539 1.00 0.00 C ATOM 1233 CG PHE A 83 4.177 -10.208 1.250 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.442 -11.378 0.974 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.162 -10.229 2.255 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.667 -12.550 1.707 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.387 -11.402 2.988 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.633 -12.552 2.723 1.00 0.00 C ATOM 0 H PHE A 83 5.374 -9.352 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 83 2.496 -9.387 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.766 -8.269 0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.077 -8.405 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.699 -11.371 0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.744 -9.343 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.101 -13.444 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.143 -11.419 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.797 -13.447 3.305 1.00 0.00 H new ATOM 1248 N THR A 84 2.981 -6.549 -0.859 1.00 0.00 N ATOM 1249 CA THR A 84 3.090 -5.146 -1.218 1.00 0.00 C ATOM 1250 C THR A 84 2.901 -4.315 0.054 1.00 0.00 C ATOM 1251 O THR A 84 2.066 -4.624 0.903 1.00 0.00 O ATOM 1252 CB THR A 84 2.072 -4.854 -2.336 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.705 -5.150 -3.551 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.597 -3.403 -2.426 1.00 0.00 C ATOM 0 H THR A 84 2.461 -6.696 0.006 1.00 0.00 H new ATOM 0 HA THR A 84 4.068 -4.880 -1.619 1.00 0.00 H new ATOM 0 HB THR A 84 1.190 -5.456 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.304 -5.916 -3.430 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.884 -3.304 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.117 -3.118 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.451 -2.751 -2.609 1.00 0.00 H new ATOM 1262 N VAL A 85 3.709 -3.265 0.195 1.00 0.00 N ATOM 1263 CA VAL A 85 3.834 -2.458 1.400 1.00 0.00 C ATOM 1264 C VAL A 85 3.171 -1.127 1.107 1.00 0.00 C ATOM 1265 O VAL A 85 3.667 -0.394 0.255 1.00 0.00 O ATOM 1266 CB VAL A 85 5.322 -2.248 1.719 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.526 -1.512 3.037 1.00 0.00 C ATOM 1268 CG2 VAL A 85 6.083 -3.564 1.810 1.00 0.00 C ATOM 0 H VAL A 85 4.317 -2.944 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 85 3.365 -2.943 2.256 1.00 0.00 H new ATOM 0 HB VAL A 85 5.708 -1.651 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.593 -1.386 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.048 -0.534 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.083 -2.089 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.130 -3.364 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.652 -4.180 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.013 -4.092 0.859 1.00 0.00 H new ATOM 1278 N ILE A 86 2.067 -0.819 1.773 1.00 0.00 N ATOM 1279 CA ILE A 86 1.344 0.430 1.620 1.00 0.00 C ATOM 1280 C ILE A 86 1.816 1.372 2.719 1.00 0.00 C ATOM 1281 O ILE A 86 1.920 0.950 3.866 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.162 0.107 1.797 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.713 -0.767 0.649 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.056 1.343 2.004 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.821 -0.044 -0.696 1.00 0.00 C ATOM 0 H ILE A 86 1.640 -1.449 2.452 1.00 0.00 H new ATOM 0 HA ILE A 86 1.512 0.895 0.648 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.205 -0.464 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.069 -1.638 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.699 -1.136 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.093 1.027 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.738 1.876 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.971 2.002 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.216 -0.729 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.490 0.811 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.166 0.301 -1.004 1.00 0.00 H new ATOM 1297 N ARG A 87 2.005 2.658 2.421 1.00 0.00 N ATOM 1298 CA ARG A 87 2.121 3.714 3.416 1.00 0.00 C ATOM 1299 C ARG A 87 1.123 4.794 3.017 1.00 0.00 C ATOM 1300 O ARG A 87 1.477 5.746 2.323 1.00 0.00 O ATOM 1301 CB ARG A 87 3.566 4.234 3.531 1.00 0.00 C ATOM 1302 CG ARG A 87 4.642 3.216 3.958 1.00 0.00 C ATOM 1303 CD ARG A 87 5.371 2.521 2.802 1.00 0.00 C ATOM 1304 NE ARG A 87 6.641 1.912 3.258 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.845 2.511 3.252 1.00 0.00 C ATOM 1306 NH1 ARG A 87 7.969 3.794 2.938 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.940 1.831 3.557 1.00 0.00 N ATOM 0 H ARG A 87 2.083 2.997 1.462 1.00 0.00 H new ATOM 0 HA ARG A 87 1.887 3.346 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.855 4.648 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.575 5.057 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.379 3.727 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.174 2.455 4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.729 1.751 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.574 3.243 2.011 1.00 0.00 H new ATOM 0 HE ARG A 87 6.599 0.955 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.143 4.342 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.890 4.232 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.875 0.842 3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.848 2.296 3.549 1.00 0.00 H new ATOM 1321 N ARG A 88 -0.152 4.635 3.388 1.00 0.00 N ATOM 1322 CA ARG A 88 -1.170 5.667 3.206 1.00 0.00 C ATOM 1323 C ARG A 88 -0.962 6.672 4.339 1.00 0.00 C ATOM 1324 O ARG A 88 -1.503 6.454 5.417 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.580 5.032 3.239 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.765 6.028 3.183 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.787 7.008 1.998 1.00 0.00 C ATOM 1328 NE ARG A 88 -2.900 8.169 2.184 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.269 9.432 2.437 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.517 9.870 2.370 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -2.350 10.301 2.821 1.00 0.00 N ATOM 0 H ARG A 88 -0.505 3.783 3.824 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.084 6.167 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.668 4.343 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.670 4.439 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.692 5.454 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.765 6.609 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.494 6.478 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.807 7.360 1.846 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.898 7.993 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.269 9.231 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.726 10.847 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.379 10.006 2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.612 11.267 3.018 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.218 7.764 4.113 1.00 0.00 N ATOM 1346 CA GLY A 89 0.200 8.698 5.160 1.00 0.00 C ATOM 1347 C GLY A 89 -0.881 9.049 6.196 1.00 0.00 C ATOM 1348 O GLY A 89 -0.625 9.008 7.395 1.00 0.00 O ATOM 0 H GLY A 89 0.113 8.024 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.057 8.273 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.540 9.619 4.688 1.00 0.00 H new ATOM 1352 N LYS A 90 -2.087 9.405 5.744 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.215 9.833 6.580 1.00 0.00 C ATOM 1354 C LYS A 90 -3.798 8.718 7.451 1.00 0.00 C ATOM 1355 O LYS A 90 -4.519 9.009 8.407 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.293 10.354 5.620 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.610 10.851 6.214 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.475 12.055 7.150 1.00 0.00 C ATOM 1359 CE LYS A 90 -6.768 12.287 7.940 1.00 0.00 C ATOM 1360 NZ LYS A 90 -7.942 12.568 7.084 1.00 0.00 N ATOM 0 H LYS A 90 -2.314 9.403 4.750 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.864 10.593 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.859 11.171 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.526 9.555 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.284 11.115 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.078 10.033 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.648 11.892 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.235 12.946 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.975 11.407 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.620 13.121 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.773 12.748 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.751 13.404 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.128 11.749 6.471 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.575 7.460 7.081 1.00 0.00 N ATOM 1375 CA LYS A 91 -4.038 6.288 7.800 1.00 0.00 C ATOM 1376 C LYS A 91 -2.791 5.776 8.499 1.00 0.00 C ATOM 1377 O LYS A 91 -2.403 6.346 9.520 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.703 5.320 6.801 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.246 4.030 7.429 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.545 4.236 8.207 1.00 0.00 C ATOM 1381 CE LYS A 91 -7.206 2.876 8.468 1.00 0.00 C ATOM 1382 NZ LYS A 91 -8.635 3.025 8.800 1.00 0.00 N ATOM 0 H LYS A 91 -3.047 7.226 6.240 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.813 6.460 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.522 5.839 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.977 5.057 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.415 3.294 6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.492 3.615 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.340 4.740 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.221 4.879 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.100 2.244 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.692 2.371 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.051 2.087 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.734 3.608 9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.129 3.485 8.009 1.00 0.00 H new ATOM 1396 N LYS A 92 -2.120 4.770 7.942 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.843 4.291 8.389 1.00 0.00 C ATOM 1398 C LYS A 92 -0.177 3.525 7.247 1.00 0.00 C ATOM 1399 O LYS A 92 -0.556 3.605 6.068 1.00 0.00 O ATOM 1400 CB LYS A 92 -1.081 3.402 9.622 1.00 0.00 C ATOM 1401 CG LYS A 92 0.085 3.479 10.625 1.00 0.00 C ATOM 1402 CD LYS A 92 0.074 4.757 11.475 1.00 0.00 C ATOM 1403 CE LYS A 92 -1.123 4.842 12.430 1.00 0.00 C ATOM 1404 NZ LYS A 92 -1.055 3.819 13.495 1.00 0.00 N ATOM 0 H LYS A 92 -2.477 4.256 7.137 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.177 5.107 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.004 3.707 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.216 2.369 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.045 2.612 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.027 3.422 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.996 4.807 12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.065 5.624 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.157 5.834 12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.047 4.717 11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.836 3.964 14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.134 2.872 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.148 3.900 13.997 1.00 0.00 H new ATOM 1418 N TYR A 93 0.813 2.743 7.632 1.00 0.00 N ATOM 1419 CA TYR A 93 1.403 1.688 6.882 1.00 0.00 C ATOM 1420 C TYR A 93 0.435 0.521 7.008 1.00 0.00 C ATOM 1421 O TYR A 93 -0.227 0.372 8.030 1.00 0.00 O ATOM 1422 CB TYR A 93 2.742 1.316 7.524 1.00 0.00 C ATOM 1423 CG TYR A 93 3.894 2.319 7.449 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.732 3.662 7.039 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.180 1.878 7.806 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.831 4.538 6.985 1.00 0.00 C ATOM 1427 CE2 TYR A 93 6.287 2.736 7.731 1.00 0.00 C ATOM 1428 CZ TYR A 93 6.123 4.070 7.308 1.00 0.00 C ATOM 1429 OH TYR A 93 7.201 4.894 7.186 1.00 0.00 O ATOM 0 H TYR A 93 1.247 2.849 8.549 1.00 0.00 H new ATOM 0 HA TYR A 93 1.581 1.959 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.556 1.103 8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.082 0.387 7.066 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.751 4.020 6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.318 0.861 8.144 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.686 5.569 6.696 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.268 2.373 7.998 1.00 0.00 H new ATOM 0 HH TYR A 93 8.012 4.412 7.451 1.00 0.00 H new ATOM 1439 N TYR A 94 0.353 -0.285 5.967 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.341 -1.551 5.856 1.00 0.00 C ATOM 1441 C TYR A 94 0.482 -2.474 4.965 1.00 0.00 C ATOM 1442 O TYR A 94 1.458 -2.079 4.322 1.00 0.00 O ATOM 1443 CB TYR A 94 -1.694 -1.277 5.211 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.836 -1.015 6.169 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.995 0.265 6.728 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.776 -2.024 6.452 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.089 0.545 7.558 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.900 -1.735 7.249 1.00 0.00 C ATOM 1449 CZ TYR A 94 -5.059 -0.448 7.808 1.00 0.00 C ATOM 1450 OH TYR A 94 -6.128 -0.153 8.597 1.00 0.00 O ATOM 0 H TYR A 94 0.818 -0.044 5.092 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.478 -2.020 6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.593 -0.416 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.957 -2.130 4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.270 1.037 6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.635 -3.020 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.189 1.522 8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.641 -2.498 7.433 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.948 -0.182 8.061 1.00 0.00 H new ATOM 1460 N LEU A 95 0.015 -3.710 4.884 1.00 0.00 N ATOM 1461 CA LEU A 95 0.604 -4.800 4.131 1.00 0.00 C ATOM 1462 C LEU A 95 -0.516 -5.507 3.394 1.00 0.00 C ATOM 1463 O LEU A 95 -1.594 -5.732 3.942 1.00 0.00 O ATOM 1464 CB LEU A 95 1.331 -5.721 5.112 1.00 0.00 C ATOM 1465 CG LEU A 95 1.950 -7.003 4.520 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.816 -6.731 3.292 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.805 -7.698 5.587 1.00 0.00 C ATOM 0 H LEU A 95 -0.835 -3.993 5.372 1.00 0.00 H new ATOM 0 HA LEU A 95 1.333 -4.455 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.125 -5.149 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.628 -6.010 5.893 1.00 0.00 H new ATOM 0 HG LEU A 95 1.123 -7.639 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.224 -7.670 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.210 -6.266 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.633 -6.063 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.243 -8.604 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.600 -7.026 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.180 -7.958 6.442 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.261 -5.838 2.142 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.212 -6.404 1.210 1.00 0.00 C ATOM 1481 C ILE A 96 -0.510 -7.612 0.606 1.00 0.00 C ATOM 1482 O ILE A 96 0.647 -7.509 0.199 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.555 -5.352 0.131 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.036 -3.998 0.714 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.555 -5.937 -0.883 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.414 -4.024 1.368 1.00 0.00 C ATOM 0 H ILE A 96 0.663 -5.712 1.729 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.150 -6.695 1.682 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.628 -5.116 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.308 -3.659 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.046 -3.259 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.789 -5.186 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.116 -6.811 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.469 -6.228 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.657 -3.030 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.160 -4.327 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.411 -4.734 2.195 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.172 -8.759 0.555 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.667 -9.952 -0.079 1.00 0.00 C ATOM 1500 C ARG A 97 -1.783 -10.663 -0.854 1.00 0.00 C ATOM 1501 O ARG A 97 -2.976 -10.320 -0.806 1.00 0.00 O ATOM 1502 CB ARG A 97 0.036 -10.809 0.998 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.659 -10.925 2.363 1.00 0.00 C ATOM 1504 CD ARG A 97 0.081 -11.843 3.339 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.762 -12.133 4.517 1.00 0.00 N ATOM 1506 CZ ARG A 97 -1.345 -13.307 4.800 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -1.167 -14.378 4.032 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -2.131 -13.414 5.863 1.00 0.00 N ATOM 0 H ARG A 97 -2.098 -8.881 0.966 1.00 0.00 H new ATOM 0 HA ARG A 97 0.082 -9.722 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.166 -11.815 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.033 -10.398 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.748 -9.932 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.672 -11.301 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.350 -12.773 2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.011 -11.371 3.657 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.915 -11.370 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.575 -14.319 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.623 -15.259 4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.291 -12.605 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.576 -14.306 6.081 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.386 -11.690 -1.587 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.282 -12.666 -2.120 1.00 0.00 C ATOM 1524 C TYR A 98 -2.000 -14.030 -1.488 1.00 0.00 C ATOM 1525 O TYR A 98 -1.008 -14.187 -0.772 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.215 -12.654 -3.647 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.880 -12.521 -4.350 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.258 -13.197 -3.872 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.813 -11.815 -5.569 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.450 -13.176 -4.607 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.375 -11.808 -6.319 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.505 -12.507 -5.845 1.00 0.00 C ATOM 1533 OH TYR A 98 2.653 -12.511 -6.563 1.00 0.00 O ATOM 0 H TYR A 98 -0.409 -11.859 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.313 -12.424 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.674 -13.578 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.845 -11.834 -3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.212 -13.733 -2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.678 -11.278 -5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.329 -13.674 -4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.423 -11.270 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 98 2.492 -12.927 -7.435 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.899 -14.980 -1.742 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.873 -16.378 -1.348 1.00 0.00 C ATOM 1545 C ALA A 99 -1.634 -17.058 -1.926 1.00 0.00 C ATOM 1546 O ALA A 99 -1.677 -17.693 -2.981 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.174 -17.067 -1.783 1.00 0.00 C ATOM 0 H ALA A 99 -3.739 -14.765 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.810 -16.457 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.148 -18.115 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.023 -16.575 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.276 -17.001 -2.866 1.00 0.00 H new