USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 128:sc= 0.478 USER MOD Set 1.2: A 58 THR OG1 : rot 142:sc= 1.13 USER MOD Set 2.1: A 44 ASN : amide:sc= -3.17! C(o=-2!,f=-14!) USER MOD Set 2.2: A 65 SER OG : rot 121:sc= 1.14 USER MOD Single : A 10 SER OG : rot 47:sc= 1.09 USER MOD Single : A 15 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.00015) USER MOD Single : A 16 SER OG : rot 80:sc= 1.06 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.05) USER MOD Single : A 40 MET CE :methyl -149:sc=-0.00177 (180deg=-1.76) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 165:sc=-0.000128 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.122) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc=-0.00691 (180deg=-0.0978) USER MOD Single : A 63 GLN : amide:sc= -0.0224 K(o=-0.022,f=-0.68) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.448 F(o=-1.9,f=-0.45) USER MOD Single : A 69 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 16.249 0.060 9.810 1.00 0.00 N ATOM 131 CA SER A 10 14.959 -0.589 9.969 1.00 0.00 C ATOM 132 C SER A 10 14.370 -0.969 8.613 1.00 0.00 C ATOM 133 O SER A 10 13.574 -0.224 8.041 1.00 0.00 O ATOM 134 CB SER A 10 13.991 0.324 10.725 1.00 0.00 C ATOM 135 OG SER A 10 13.725 1.506 9.989 1.00 0.00 O ATOM 0 HA SER A 10 15.109 -1.501 10.547 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.058 -0.207 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.414 0.584 11.696 1.00 0.00 H new ATOM 0 HG SER A 10 13.521 1.273 9.059 1.00 0.00 H new ATOM 141 N PRO A 11 14.755 -2.141 8.078 1.00 0.00 N ATOM 142 CA PRO A 11 14.268 -2.622 6.786 1.00 0.00 C ATOM 143 C PRO A 11 12.836 -3.143 6.860 1.00 0.00 C ATOM 144 O PRO A 11 12.178 -3.322 5.835 1.00 0.00 O ATOM 145 CB PRO A 11 15.232 -3.760 6.423 1.00 0.00 C ATOM 146 CG PRO A 11 16.287 -3.771 7.486 1.00 0.00 C ATOM 147 CD PRO A 11 15.695 -3.088 8.684 1.00 0.00 C ATOM 0 HA PRO A 11 14.244 -1.821 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.709 -4.715 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.673 -3.598 5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.582 -4.792 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.184 -3.252 7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.191 -3.793 9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.455 -2.581 9.279 1.00 0.00 H new ATOM 155 N ASP A 12 12.358 -3.386 8.075 1.00 0.00 N ATOM 156 CA ASP A 12 11.004 -3.886 8.276 1.00 0.00 C ATOM 157 C ASP A 12 9.969 -2.872 7.805 1.00 0.00 C ATOM 158 O ASP A 12 8.840 -3.231 7.470 1.00 0.00 O ATOM 159 CB ASP A 12 10.774 -4.224 9.747 1.00 0.00 C ATOM 160 CG ASP A 12 10.589 -5.712 9.978 1.00 0.00 C ATOM 161 OD1 ASP A 12 11.604 -6.440 9.996 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.430 -6.148 10.140 1.00 0.00 O ATOM 0 H ASP A 12 12.888 -3.245 8.935 1.00 0.00 H new ATOM 0 HA ASP A 12 10.890 -4.792 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.621 -3.871 10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.893 -3.691 10.106 1.00 0.00 H new ATOM 167 N ILE A 13 10.363 -1.606 7.774 1.00 0.00 N ATOM 168 CA ILE A 13 9.473 -0.543 7.337 1.00 0.00 C ATOM 169 C ILE A 13 9.271 -0.601 5.837 1.00 0.00 C ATOM 170 O ILE A 13 8.145 -0.693 5.348 1.00 0.00 O ATOM 171 CB ILE A 13 10.001 0.842 7.726 1.00 0.00 C ATOM 172 CG1 ILE A 13 10.489 0.846 9.176 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.926 1.898 7.517 1.00 0.00 C ATOM 174 CD1 ILE A 13 9.436 0.404 10.170 1.00 0.00 C ATOM 0 H ILE A 13 11.294 -1.292 8.047 1.00 0.00 H new ATOM 0 HA ILE A 13 8.519 -0.698 7.842 1.00 0.00 H new ATOM 0 HB ILE A 13 10.848 1.081 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.355 0.190 9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.823 1.851 9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.317 2.876 7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.630 1.913 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.060 1.663 8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.852 0.431 11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.578 1.074 10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.119 -0.612 9.936 1.00 0.00 H new ATOM 186 N GLU A 14 10.375 -0.566 5.115 1.00 0.00 N ATOM 187 CA GLU A 14 10.336 -0.637 3.664 1.00 0.00 C ATOM 188 C GLU A 14 9.778 -1.983 3.223 1.00 0.00 C ATOM 189 O GLU A 14 9.228 -2.114 2.129 1.00 0.00 O ATOM 190 CB GLU A 14 11.733 -0.425 3.077 1.00 0.00 C ATOM 191 CG GLU A 14 12.075 1.035 2.832 1.00 0.00 C ATOM 192 CD GLU A 14 11.965 1.423 1.371 1.00 0.00 C ATOM 193 OE1 GLU A 14 10.855 1.795 0.937 1.00 0.00 O ATOM 194 OE2 GLU A 14 12.990 1.355 0.660 1.00 0.00 O ATOM 0 H GLU A 14 11.313 -0.489 5.509 1.00 0.00 H new ATOM 0 HA GLU A 14 9.684 0.155 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.471 -0.854 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.809 -0.970 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.409 1.664 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.089 1.230 3.180 1.00 0.00 H new ATOM 201 N GLN A 15 9.915 -2.979 4.092 1.00 0.00 N ATOM 202 CA GLN A 15 9.418 -4.311 3.810 1.00 0.00 C ATOM 203 C GLN A 15 7.912 -4.360 3.969 1.00 0.00 C ATOM 204 O GLN A 15 7.201 -4.938 3.147 1.00 0.00 O ATOM 205 CB GLN A 15 10.081 -5.323 4.723 1.00 0.00 C ATOM 206 CG GLN A 15 11.252 -6.019 4.066 1.00 0.00 C ATOM 207 CD GLN A 15 10.823 -7.147 3.147 1.00 0.00 C ATOM 208 OE1 GLN A 15 10.754 -8.305 3.558 1.00 0.00 O ATOM 209 NE2 GLN A 15 10.534 -6.812 1.895 1.00 0.00 N ATOM 0 H GLN A 15 10.369 -2.883 5.000 1.00 0.00 H new ATOM 0 HA GLN A 15 9.663 -4.562 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.423 -4.821 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.346 -6.067 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.829 -5.291 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.913 -6.415 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.605 -5.839 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.241 -7.528 1.230 1.00 0.00 H new ATOM 218 N SER A 16 7.435 -3.730 5.029 1.00 0.00 N ATOM 219 CA SER A 16 6.009 -3.673 5.305 1.00 0.00 C ATOM 220 C SER A 16 5.298 -2.866 4.227 1.00 0.00 C ATOM 221 O SER A 16 4.094 -3.014 4.016 1.00 0.00 O ATOM 222 CB SER A 16 5.755 -3.054 6.681 1.00 0.00 C ATOM 223 OG SER A 16 6.183 -3.919 7.717 1.00 0.00 O ATOM 0 H SER A 16 8.017 -3.249 5.715 1.00 0.00 H new ATOM 0 HA SER A 16 5.614 -4.689 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.281 -2.102 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.692 -2.841 6.797 1.00 0.00 H new ATOM 0 HG SER A 16 7.155 -3.847 7.822 1.00 0.00 H new ATOM 229 N PHE A 17 6.056 -2.012 3.543 1.00 0.00 N ATOM 230 CA PHE A 17 5.508 -1.183 2.484 1.00 0.00 C ATOM 231 C PHE A 17 5.184 -2.018 1.259 1.00 0.00 C ATOM 232 O PHE A 17 4.131 -1.856 0.643 1.00 0.00 O ATOM 233 CB PHE A 17 6.485 -0.068 2.124 1.00 0.00 C ATOM 234 CG PHE A 17 6.067 1.284 2.627 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.773 1.477 3.967 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.970 2.360 1.761 1.00 0.00 C ATOM 237 CE1 PHE A 17 5.389 2.719 4.435 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.586 3.605 2.222 1.00 0.00 C ATOM 239 CZ PHE A 17 5.296 3.785 3.561 1.00 0.00 C ATOM 0 H PHE A 17 7.054 -1.879 3.708 1.00 0.00 H new ATOM 0 HA PHE A 17 4.583 -0.734 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.466 -0.311 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.592 -0.026 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.845 0.647 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.197 2.225 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.162 2.856 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.513 4.436 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.997 4.757 3.924 1.00 0.00 H new ATOM 249 N GLN A 18 6.089 -2.920 0.919 1.00 0.00 N ATOM 250 CA GLN A 18 5.887 -3.792 -0.228 1.00 0.00 C ATOM 251 C GLN A 18 4.733 -4.745 0.037 1.00 0.00 C ATOM 252 O GLN A 18 4.042 -5.174 -0.885 1.00 0.00 O ATOM 253 CB GLN A 18 7.155 -4.586 -0.547 1.00 0.00 C ATOM 254 CG GLN A 18 6.925 -5.716 -1.541 1.00 0.00 C ATOM 255 CD GLN A 18 8.214 -6.231 -2.151 1.00 0.00 C ATOM 256 OE1 GLN A 18 9.091 -6.731 -1.447 1.00 0.00 O ATOM 257 NE2 GLN A 18 8.335 -6.110 -3.468 1.00 0.00 N ATOM 0 H GLN A 18 6.967 -3.068 1.417 1.00 0.00 H new ATOM 0 HA GLN A 18 5.649 -3.168 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.909 -3.908 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.557 -5.001 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.412 -6.537 -1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.266 -5.367 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.582 -5.689 -4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.180 -6.438 -3.935 1.00 0.00 H new ATOM 266 N GLU A 19 4.534 -5.070 1.304 1.00 0.00 N ATOM 267 CA GLU A 19 3.464 -5.969 1.697 1.00 0.00 C ATOM 268 C GLU A 19 2.112 -5.335 1.429 1.00 0.00 C ATOM 269 O GLU A 19 1.157 -6.015 1.062 1.00 0.00 O ATOM 270 CB GLU A 19 3.596 -6.347 3.170 1.00 0.00 C ATOM 271 CG GLU A 19 3.741 -7.842 3.404 1.00 0.00 C ATOM 272 CD GLU A 19 4.761 -8.168 4.477 1.00 0.00 C ATOM 273 OE1 GLU A 19 5.963 -7.917 4.249 1.00 0.00 O ATOM 274 OE2 GLU A 19 4.358 -8.673 5.546 1.00 0.00 O ATOM 0 H GLU A 19 5.101 -4.724 2.078 1.00 0.00 H new ATOM 0 HA GLU A 19 3.542 -6.878 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.462 -5.836 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.720 -5.987 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.774 -8.257 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.033 -8.325 2.472 1.00 0.00 H new ATOM 281 N ALA A 20 2.043 -4.025 1.600 1.00 0.00 N ATOM 282 CA ALA A 20 0.811 -3.296 1.362 1.00 0.00 C ATOM 283 C ALA A 20 0.634 -3.023 -0.123 1.00 0.00 C ATOM 284 O ALA A 20 -0.486 -2.956 -0.627 1.00 0.00 O ATOM 285 CB ALA A 20 0.791 -1.999 2.156 1.00 0.00 C ATOM 0 H ALA A 20 2.826 -3.446 1.903 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.023 -3.911 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.141 -1.468 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.867 -2.223 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.633 -1.375 1.855 1.00 0.00 H new ATOM 291 N LEU A 21 1.753 -2.881 -0.818 1.00 0.00 N ATOM 292 CA LEU A 21 1.737 -2.633 -2.246 1.00 0.00 C ATOM 293 C LEU A 21 1.548 -3.937 -3.007 1.00 0.00 C ATOM 294 O LEU A 21 0.965 -3.962 -4.090 1.00 0.00 O ATOM 295 CB LEU A 21 3.026 -1.939 -2.684 1.00 0.00 C ATOM 296 CG LEU A 21 2.849 -0.507 -3.190 1.00 0.00 C ATOM 297 CD1 LEU A 21 2.080 -0.495 -4.501 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.140 0.341 -2.144 1.00 0.00 C ATOM 0 H LEU A 21 2.687 -2.934 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 21 0.899 -1.974 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.719 -1.928 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.491 -2.532 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 21 3.835 -0.079 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.964 0.533 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.627 -1.069 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.097 -0.940 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.022 1.358 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.159 -0.085 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.731 0.359 -1.228 1.00 0.00 H new ATOM 310 N SER A 22 2.037 -5.023 -2.420 1.00 0.00 N ATOM 311 CA SER A 22 1.915 -6.337 -3.024 1.00 0.00 C ATOM 312 C SER A 22 0.510 -6.877 -2.816 1.00 0.00 C ATOM 313 O SER A 22 -0.038 -7.574 -3.669 1.00 0.00 O ATOM 314 CB SER A 22 2.944 -7.300 -2.430 1.00 0.00 C ATOM 315 OG SER A 22 2.938 -8.541 -3.115 1.00 0.00 O ATOM 0 H SER A 22 2.523 -5.015 -1.523 1.00 0.00 H new ATOM 0 HA SER A 22 2.106 -6.247 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.938 -6.855 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.727 -7.463 -1.374 1.00 0.00 H new ATOM 0 HG SER A 22 3.606 -9.138 -2.717 1.00 0.00 H new ATOM 321 N ILE A 23 -0.067 -6.536 -1.672 1.00 0.00 N ATOM 322 CA ILE A 23 -1.414 -6.969 -1.336 1.00 0.00 C ATOM 323 C ILE A 23 -2.446 -6.047 -1.972 1.00 0.00 C ATOM 324 O ILE A 23 -3.507 -6.485 -2.416 1.00 0.00 O ATOM 325 CB ILE A 23 -1.620 -7.024 0.196 1.00 0.00 C ATOM 326 CG1 ILE A 23 -2.379 -8.294 0.585 1.00 0.00 C ATOM 327 CG2 ILE A 23 -2.347 -5.788 0.711 1.00 0.00 C ATOM 328 CD1 ILE A 23 -1.478 -9.482 0.840 1.00 0.00 C ATOM 0 H ILE A 23 0.380 -5.959 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.548 -7.975 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.635 -7.043 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.968 -8.096 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.082 -8.545 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.473 -5.864 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.764 -4.898 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.325 -5.717 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.084 -10.347 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.908 -9.706 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.792 -9.250 1.655 1.00 0.00 H new ATOM 340 N TYR A 24 -2.112 -4.767 -2.007 1.00 0.00 N ATOM 341 CA TYR A 24 -2.980 -3.755 -2.584 1.00 0.00 C ATOM 342 C TYR A 24 -2.324 -3.092 -3.792 1.00 0.00 C ATOM 343 O TYR A 24 -1.704 -2.035 -3.669 1.00 0.00 O ATOM 344 CB TYR A 24 -3.338 -2.700 -1.548 1.00 0.00 C ATOM 345 CG TYR A 24 -3.888 -3.262 -0.259 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.000 -4.095 -0.258 1.00 0.00 C ATOM 347 CD2 TYR A 24 -3.294 -2.959 0.959 1.00 0.00 C ATOM 348 CE1 TYR A 24 -5.505 -4.609 0.922 1.00 0.00 C ATOM 349 CE2 TYR A 24 -3.792 -3.469 2.143 1.00 0.00 C ATOM 350 CZ TYR A 24 -4.897 -4.293 2.119 1.00 0.00 C ATOM 351 OH TYR A 24 -5.396 -4.804 3.296 1.00 0.00 O ATOM 0 H TYR A 24 -1.234 -4.402 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.892 -4.252 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.449 -2.110 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.073 -2.019 -1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.478 -4.345 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.428 -2.314 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.371 -5.254 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.318 -3.223 3.082 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.853 -4.486 4.047 1.00 0.00 H new ATOM 361 N PRO A 25 -2.452 -3.704 -4.982 1.00 0.00 N ATOM 362 CA PRO A 25 -1.876 -3.176 -6.210 1.00 0.00 C ATOM 363 C PRO A 25 -2.785 -2.148 -6.880 1.00 0.00 C ATOM 364 O PRO A 25 -3.948 -1.997 -6.506 1.00 0.00 O ATOM 365 CB PRO A 25 -1.719 -4.417 -7.100 1.00 0.00 C ATOM 366 CG PRO A 25 -2.458 -5.533 -6.423 1.00 0.00 C ATOM 367 CD PRO A 25 -3.167 -4.955 -5.228 1.00 0.00 C ATOM 0 HA PRO A 25 -0.939 -2.651 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.124 -4.233 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.667 -4.671 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.173 -5.989 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.767 -6.318 -6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.223 -4.780 -5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.115 -5.623 -4.368 1.00 0.00 H new ATOM 375 N PRO A 26 -2.262 -1.424 -7.885 1.00 0.00 N ATOM 376 CA PRO A 26 -3.031 -0.405 -8.609 1.00 0.00 C ATOM 377 C PRO A 26 -4.163 -1.003 -9.440 1.00 0.00 C ATOM 378 O PRO A 26 -5.033 -0.281 -9.927 1.00 0.00 O ATOM 379 CB PRO A 26 -1.991 0.251 -9.518 1.00 0.00 C ATOM 380 CG PRO A 26 -0.938 -0.783 -9.691 1.00 0.00 C ATOM 381 CD PRO A 26 -0.885 -1.539 -8.395 1.00 0.00 C ATOM 0 HA PRO A 26 -3.520 0.290 -7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.426 0.538 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.586 1.157 -9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.176 -1.448 -10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.025 -0.325 -9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.597 -2.579 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.162 -1.105 -7.704 1.00 0.00 H new ATOM 389 N CYS A 27 -4.147 -2.322 -9.598 1.00 0.00 N ATOM 390 CA CYS A 27 -5.169 -3.011 -10.366 1.00 0.00 C ATOM 391 C CYS A 27 -5.357 -4.440 -9.866 1.00 0.00 C ATOM 392 O CYS A 27 -4.628 -4.903 -8.990 1.00 0.00 O ATOM 393 CB CYS A 27 -4.803 -3.015 -11.847 1.00 0.00 C ATOM 394 SG CYS A 27 -6.064 -2.290 -12.922 1.00 0.00 S ATOM 0 H CYS A 27 -3.434 -2.934 -9.202 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.110 -2.478 -10.235 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.869 -2.469 -11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.619 -4.042 -12.162 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.661 -2.337 -14.157 1.00 0.00 H new ATOM 400 N GLY A 28 -6.341 -5.134 -10.430 1.00 0.00 N ATOM 401 CA GLY A 28 -6.608 -6.502 -10.028 1.00 0.00 C ATOM 402 C GLY A 28 -7.778 -6.607 -9.070 1.00 0.00 C ATOM 403 O GLY A 28 -8.553 -7.562 -9.128 1.00 0.00 O ATOM 0 H GLY A 28 -6.958 -4.773 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.812 -7.104 -10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.718 -6.919 -9.557 1.00 0.00 H new ATOM 407 N ARG A 29 -7.906 -5.623 -8.187 1.00 0.00 N ATOM 408 CA ARG A 29 -8.988 -5.605 -7.214 1.00 0.00 C ATOM 409 C ARG A 29 -9.222 -4.194 -6.685 1.00 0.00 C ATOM 410 O ARG A 29 -8.585 -3.767 -5.722 1.00 0.00 O ATOM 411 CB ARG A 29 -8.678 -6.554 -6.055 1.00 0.00 C ATOM 412 CG ARG A 29 -9.151 -7.979 -6.293 1.00 0.00 C ATOM 413 CD ARG A 29 -9.569 -8.651 -4.995 1.00 0.00 C ATOM 414 NE ARG A 29 -9.795 -10.084 -5.169 1.00 0.00 N ATOM 415 CZ ARG A 29 -8.824 -10.966 -5.396 1.00 0.00 C ATOM 416 NH1 ARG A 29 -7.561 -10.567 -5.478 1.00 0.00 N ATOM 417 NH2 ARG A 29 -9.117 -12.251 -5.540 1.00 0.00 N ATOM 0 H ARG A 29 -7.272 -4.827 -8.126 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.897 -5.940 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.602 -6.561 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.146 -6.171 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.991 -7.974 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.353 -8.555 -6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.798 -8.495 -4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.480 -8.183 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.753 -10.429 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.330 -9.580 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.821 -11.248 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.086 -12.563 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.373 -12.927 -5.714 1.00 0.00 H new ATOM 431 N ARG A 30 -10.141 -3.474 -7.321 1.00 0.00 N ATOM 432 CA ARG A 30 -10.461 -2.116 -6.917 1.00 0.00 C ATOM 433 C ARG A 30 -11.960 -1.854 -7.029 1.00 0.00 C ATOM 434 O ARG A 30 -12.542 -1.973 -8.107 1.00 0.00 O ATOM 435 CB ARG A 30 -9.687 -1.108 -7.768 1.00 0.00 C ATOM 436 CG ARG A 30 -9.430 0.213 -7.063 1.00 0.00 C ATOM 437 CD ARG A 30 -10.605 1.165 -7.218 1.00 0.00 C ATOM 438 NE ARG A 30 -10.622 1.805 -8.531 1.00 0.00 N ATOM 439 CZ ARG A 30 -9.827 2.817 -8.873 1.00 0.00 C ATOM 440 NH1 ARG A 30 -8.953 3.307 -8.003 1.00 0.00 N ATOM 441 NH2 ARG A 30 -9.908 3.341 -10.089 1.00 0.00 N ATOM 0 H ARG A 30 -10.677 -3.813 -8.120 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.167 -1.996 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.732 -1.547 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.243 -0.918 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.245 0.032 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.530 0.675 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.536 0.619 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.557 1.930 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.281 1.456 -9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.887 2.908 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.347 4.082 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.579 2.969 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.299 4.116 -10.352 1.00 0.00 H new ATOM 455 N LYS A 31 -12.578 -1.493 -5.909 1.00 0.00 N ATOM 456 CA LYS A 31 -14.003 -1.212 -5.881 1.00 0.00 C ATOM 457 C LYS A 31 -14.335 -0.182 -4.806 1.00 0.00 C ATOM 458 O LYS A 31 -13.641 -0.079 -3.794 1.00 0.00 O ATOM 459 CB LYS A 31 -14.796 -2.498 -5.638 1.00 0.00 C ATOM 460 CG LYS A 31 -15.174 -3.229 -6.916 1.00 0.00 C ATOM 461 CD LYS A 31 -16.031 -4.450 -6.626 1.00 0.00 C ATOM 462 CE LYS A 31 -16.085 -5.389 -7.820 1.00 0.00 C ATOM 463 NZ LYS A 31 -17.425 -6.020 -7.972 1.00 0.00 N ATOM 0 H LYS A 31 -12.110 -1.389 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.284 -0.800 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.207 -3.165 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.704 -2.256 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.715 -2.552 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.270 -3.534 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.630 -4.981 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.041 -4.133 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.839 -4.837 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.329 -6.166 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.419 -6.653 -8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.650 -6.568 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.144 -5.281 -8.108 1.00 0.00 H new ATOM 477 N ILE A 32 -15.401 0.578 -5.032 1.00 0.00 N ATOM 478 CA ILE A 32 -15.827 1.598 -4.087 1.00 0.00 C ATOM 479 C ILE A 32 -17.257 2.048 -4.370 1.00 0.00 C ATOM 480 O ILE A 32 -17.576 2.474 -5.481 1.00 0.00 O ATOM 481 CB ILE A 32 -14.890 2.821 -4.124 1.00 0.00 C ATOM 482 CG1 ILE A 32 -15.245 3.799 -3.002 1.00 0.00 C ATOM 483 CG2 ILE A 32 -14.960 3.510 -5.480 1.00 0.00 C ATOM 484 CD1 ILE A 32 -14.464 3.565 -1.727 1.00 0.00 C ATOM 0 H ILE A 32 -15.986 0.505 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.785 1.151 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.867 2.477 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.064 4.817 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.310 3.720 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.291 4.371 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.658 2.811 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.981 3.842 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -14.767 4.294 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.663 2.559 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.398 3.673 -1.928 1.00 0.00 H new ATOM 496 N ILE A 33 -18.115 1.951 -3.360 1.00 0.00 N ATOM 497 CA ILE A 33 -19.508 2.346 -3.499 1.00 0.00 C ATOM 498 C ILE A 33 -20.204 2.386 -2.137 1.00 0.00 C ATOM 499 O ILE A 33 -20.917 1.458 -1.756 1.00 0.00 O ATOM 500 CB ILE A 33 -20.257 1.398 -4.466 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.616 1.987 -4.864 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.413 0.007 -3.863 1.00 0.00 C ATOM 503 CD1 ILE A 33 -22.656 1.952 -3.765 1.00 0.00 C ATOM 0 H ILE A 33 -17.867 1.601 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.530 3.351 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 33 -19.657 1.298 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -21.473 3.020 -5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -21.997 1.440 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -20.943 -0.637 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -19.428 -0.413 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -20.980 0.074 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -23.586 2.387 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.832 0.919 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.300 2.524 -2.908 1.00 0.00 H new ATOM 515 N LEU A 34 -19.977 3.470 -1.400 1.00 0.00 N ATOM 516 CA LEU A 34 -20.563 3.641 -0.081 1.00 0.00 C ATOM 517 C LEU A 34 -22.067 3.891 -0.164 1.00 0.00 C ATOM 518 O LEU A 34 -22.786 3.726 0.820 1.00 0.00 O ATOM 519 CB LEU A 34 -19.883 4.801 0.649 1.00 0.00 C ATOM 520 CG LEU A 34 -19.477 5.988 -0.230 1.00 0.00 C ATOM 521 CD1 LEU A 34 -19.780 7.303 0.473 1.00 0.00 C ATOM 522 CD2 LEU A 34 -18.001 5.902 -0.592 1.00 0.00 C ATOM 0 H LEU A 34 -19.387 4.246 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.405 2.717 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.556 5.161 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.992 4.420 1.149 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.060 5.950 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.485 8.134 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.848 7.367 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.225 7.351 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -17.729 6.753 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.402 5.914 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.813 4.977 -1.137 1.00 0.00 H new ATOM 534 N SER A 35 -22.537 4.289 -1.341 1.00 0.00 N ATOM 535 CA SER A 35 -23.956 4.562 -1.546 1.00 0.00 C ATOM 536 C SER A 35 -24.817 3.363 -1.154 1.00 0.00 C ATOM 537 O SER A 35 -26.007 3.508 -0.873 1.00 0.00 O ATOM 538 CB SER A 35 -24.217 4.941 -3.002 1.00 0.00 C ATOM 539 OG SER A 35 -24.722 6.261 -3.102 1.00 0.00 O ATOM 0 H SER A 35 -21.957 4.430 -2.168 1.00 0.00 H new ATOM 0 HA SER A 35 -24.230 5.398 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.293 4.857 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.928 4.242 -3.441 1.00 0.00 H new ATOM 0 HG SER A 35 -24.879 6.481 -4.044 1.00 0.00 H new ATOM 545 N ASP A 36 -24.211 2.181 -1.138 1.00 0.00 N ATOM 546 CA ASP A 36 -24.919 0.963 -0.784 1.00 0.00 C ATOM 547 C ASP A 36 -24.395 0.385 0.528 1.00 0.00 C ATOM 548 O ASP A 36 -25.115 0.330 1.525 1.00 0.00 O ATOM 549 CB ASP A 36 -24.788 -0.073 -1.901 1.00 0.00 C ATOM 550 CG ASP A 36 -26.061 -0.870 -2.103 1.00 0.00 C ATOM 551 OD1 ASP A 36 -26.967 -0.376 -2.807 1.00 0.00 O ATOM 552 OD2 ASP A 36 -26.154 -1.989 -1.556 1.00 0.00 O ATOM 0 H ASP A 36 -23.227 2.044 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 36 -25.972 1.213 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -24.527 0.431 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -23.970 -0.754 -1.667 1.00 0.00 H new ATOM 557 N GLU A 37 -23.139 -0.049 0.518 1.00 0.00 N ATOM 558 CA GLU A 37 -22.521 -0.627 1.706 1.00 0.00 C ATOM 559 C GLU A 37 -22.455 0.386 2.843 1.00 0.00 C ATOM 560 O GLU A 37 -22.448 0.017 4.018 1.00 0.00 O ATOM 561 CB GLU A 37 -21.121 -1.143 1.378 1.00 0.00 C ATOM 562 CG GLU A 37 -20.964 -2.639 1.572 1.00 0.00 C ATOM 563 CD GLU A 37 -19.918 -2.988 2.614 1.00 0.00 C ATOM 564 OE1 GLU A 37 -18.725 -3.074 2.252 1.00 0.00 O ATOM 565 OE2 GLU A 37 -20.291 -3.174 3.791 1.00 0.00 O ATOM 0 H GLU A 37 -22.529 -0.012 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.140 -1.462 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.884 -0.892 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.396 -0.626 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.922 -3.065 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.691 -3.098 0.622 1.00 0.00 H new ATOM 572 N GLY A 38 -22.407 1.662 2.486 1.00 0.00 N ATOM 573 CA GLY A 38 -22.344 2.713 3.486 1.00 0.00 C ATOM 574 C GLY A 38 -21.148 2.573 4.408 1.00 0.00 C ATOM 575 O GLY A 38 -21.127 3.145 5.498 1.00 0.00 O ATOM 0 H GLY A 38 -22.411 1.990 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.302 3.681 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.258 2.700 4.079 1.00 0.00 H new ATOM 579 N LYS A 39 -20.145 1.824 3.966 1.00 0.00 N ATOM 580 CA LYS A 39 -18.941 1.624 4.743 1.00 0.00 C ATOM 581 C LYS A 39 -17.735 1.510 3.823 1.00 0.00 C ATOM 582 O LYS A 39 -17.373 0.420 3.381 1.00 0.00 O ATOM 583 CB LYS A 39 -19.064 0.370 5.610 1.00 0.00 C ATOM 584 CG LYS A 39 -19.743 0.619 6.947 1.00 0.00 C ATOM 585 CD LYS A 39 -21.206 0.207 6.915 1.00 0.00 C ATOM 586 CE LYS A 39 -21.358 -1.305 6.877 1.00 0.00 C ATOM 587 NZ LYS A 39 -22.517 -1.726 6.042 1.00 0.00 N ATOM 0 H LYS A 39 -20.148 1.344 3.066 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.805 2.485 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.626 -0.387 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.069 -0.038 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.225 0.063 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.667 1.676 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -21.716 0.603 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -21.689 0.644 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.445 -1.752 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -21.485 -1.683 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.308 -2.641 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.362 -1.818 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -22.692 -1.013 5.306 1.00 0.00 H new ATOM 601 N MET A 40 -17.117 2.645 3.550 1.00 0.00 N ATOM 602 CA MET A 40 -15.945 2.697 2.696 1.00 0.00 C ATOM 603 C MET A 40 -15.024 3.835 3.118 1.00 0.00 C ATOM 604 O MET A 40 -15.107 4.945 2.592 1.00 0.00 O ATOM 605 CB MET A 40 -16.355 2.867 1.232 1.00 0.00 C ATOM 606 CG MET A 40 -16.560 1.550 0.501 1.00 0.00 C ATOM 607 SD MET A 40 -18.282 1.017 0.498 1.00 0.00 S ATOM 608 CE MET A 40 -18.207 -0.367 -0.636 1.00 0.00 C ATOM 0 H MET A 40 -17.412 3.552 3.912 1.00 0.00 H new ATOM 0 HA MET A 40 -15.406 1.756 2.801 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.278 3.446 1.187 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.590 3.445 0.714 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.214 1.652 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 40 -15.946 0.780 0.969 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.156 -0.456 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.404 -0.205 -1.355 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.015 -1.284 -0.079 1.00 0.00 H new ATOM 618 N TYR A 41 -14.149 3.549 4.072 1.00 0.00 N ATOM 619 CA TYR A 41 -13.208 4.541 4.572 1.00 0.00 C ATOM 620 C TYR A 41 -12.151 4.869 3.523 1.00 0.00 C ATOM 621 O TYR A 41 -12.193 4.359 2.404 1.00 0.00 O ATOM 622 CB TYR A 41 -12.542 4.041 5.852 1.00 0.00 C ATOM 623 CG TYR A 41 -12.837 4.896 7.064 1.00 0.00 C ATOM 624 CD1 TYR A 41 -14.116 4.949 7.605 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.838 5.650 7.665 1.00 0.00 C ATOM 626 CE1 TYR A 41 -14.389 5.729 8.713 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.104 6.432 8.773 1.00 0.00 C ATOM 628 CZ TYR A 41 -13.380 6.469 9.293 1.00 0.00 C ATOM 629 OH TYR A 41 -13.649 7.247 10.395 1.00 0.00 O ATOM 0 H TYR A 41 -14.071 2.634 4.517 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.763 5.453 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.872 3.021 6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.463 4.003 5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.909 4.372 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.837 5.625 7.260 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.388 5.759 9.123 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.315 7.012 9.230 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.830 7.703 10.681 1.00 0.00 H new ATOM 639 N GLY A 42 -11.201 5.722 3.894 1.00 0.00 N ATOM 640 CA GLY A 42 -10.145 6.101 2.973 1.00 0.00 C ATOM 641 C GLY A 42 -9.333 4.911 2.503 1.00 0.00 C ATOM 642 O GLY A 42 -8.988 4.035 3.296 1.00 0.00 O ATOM 0 H GLY A 42 -11.144 6.157 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.582 6.603 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.484 6.819 3.458 1.00 0.00 H new ATOM 646 N ARG A 43 -9.030 4.876 1.210 1.00 0.00 N ATOM 647 CA ARG A 43 -8.256 3.781 0.637 1.00 0.00 C ATOM 648 C ARG A 43 -6.872 3.699 1.268 1.00 0.00 C ATOM 649 O ARG A 43 -6.271 2.626 1.334 1.00 0.00 O ATOM 650 CB ARG A 43 -8.137 3.949 -0.876 1.00 0.00 C ATOM 651 CG ARG A 43 -8.771 2.814 -1.665 1.00 0.00 C ATOM 652 CD ARG A 43 -10.288 2.907 -1.654 1.00 0.00 C ATOM 653 NE ARG A 43 -10.885 1.992 -0.683 1.00 0.00 N ATOM 654 CZ ARG A 43 -10.968 0.675 -0.858 1.00 0.00 C ATOM 655 NH1 ARG A 43 -10.493 0.115 -1.964 1.00 0.00 N ATOM 656 NH2 ARG A 43 -11.526 -0.083 0.075 1.00 0.00 N ATOM 0 H ARG A 43 -9.308 5.592 0.539 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.782 2.850 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.606 4.889 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.083 4.022 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.411 2.839 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.461 1.858 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.587 3.929 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.672 2.682 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.260 2.386 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.062 0.694 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.559 -0.895 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.892 0.343 0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.590 -1.092 -0.059 1.00 0.00 H new ATOM 670 N ASN A 44 -6.373 4.836 1.732 1.00 0.00 N ATOM 671 CA ASN A 44 -5.062 4.890 2.362 1.00 0.00 C ATOM 672 C ASN A 44 -5.068 4.138 3.684 1.00 0.00 C ATOM 673 O ASN A 44 -4.052 3.582 4.101 1.00 0.00 O ATOM 674 CB ASN A 44 -4.629 6.339 2.575 1.00 0.00 C ATOM 675 CG ASN A 44 -3.384 6.694 1.786 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.117 6.115 0.733 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.615 7.650 2.293 1.00 0.00 N ATOM 0 H ASN A 44 -6.856 5.733 1.684 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.345 4.408 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.442 7.004 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.443 6.507 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.764 7.932 1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.875 8.103 3.169 1.00 0.00 H new ATOM 684 N GLU A 45 -6.224 4.111 4.330 1.00 0.00 N ATOM 685 CA GLU A 45 -6.366 3.409 5.596 1.00 0.00 C ATOM 686 C GLU A 45 -6.146 1.918 5.390 1.00 0.00 C ATOM 687 O GLU A 45 -5.698 1.211 6.292 1.00 0.00 O ATOM 688 CB GLU A 45 -7.749 3.663 6.200 1.00 0.00 C ATOM 689 CG GLU A 45 -7.739 3.775 7.716 1.00 0.00 C ATOM 690 CD GLU A 45 -8.987 3.195 8.352 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.316 2.027 8.054 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.634 3.907 9.147 1.00 0.00 O ATOM 0 H GLU A 45 -7.075 4.566 3.999 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.615 3.786 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.157 4.582 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.418 2.854 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.863 3.260 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.646 4.824 7.998 1.00 0.00 H new ATOM 699 N LEU A 46 -6.455 1.454 4.186 1.00 0.00 N ATOM 700 CA LEU A 46 -6.283 0.054 3.836 1.00 0.00 C ATOM 701 C LEU A 46 -4.817 -0.323 3.858 1.00 0.00 C ATOM 702 O LEU A 46 -4.395 -1.209 4.602 1.00 0.00 O ATOM 703 CB LEU A 46 -6.861 -0.217 2.456 1.00 0.00 C ATOM 704 CG LEU A 46 -7.050 -1.694 2.093 1.00 0.00 C ATOM 705 CD1 LEU A 46 -7.672 -2.462 3.249 1.00 0.00 C ATOM 706 CD2 LEU A 46 -7.906 -1.827 0.842 1.00 0.00 C ATOM 0 H LEU A 46 -6.828 2.032 3.433 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.813 -0.551 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.827 0.283 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.208 0.240 1.713 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.069 -2.124 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.796 -3.507 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.022 -2.396 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.645 -2.033 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.031 -2.882 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.883 -1.378 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.418 -1.317 0.011 1.00 0.00 H new ATOM 718 N ILE A 47 -4.049 0.366 3.038 1.00 0.00 N ATOM 719 CA ILE A 47 -2.619 0.124 2.952 1.00 0.00 C ATOM 720 C ILE A 47 -1.942 0.460 4.269 1.00 0.00 C ATOM 721 O ILE A 47 -0.950 -0.160 4.648 1.00 0.00 O ATOM 722 CB ILE A 47 -1.951 0.931 1.813 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.795 2.149 1.421 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.709 0.041 0.604 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.012 3.219 0.691 1.00 0.00 C ATOM 0 H ILE A 47 -4.391 1.101 2.419 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.495 -0.936 2.730 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.991 1.295 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.621 1.820 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.234 2.581 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.239 0.623 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.055 -0.784 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.660 -0.355 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.673 4.050 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.202 3.576 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.596 2.803 -0.226 1.00 0.00 H new ATOM 737 N ALA A 48 -2.494 1.439 4.969 1.00 0.00 N ATOM 738 CA ALA A 48 -1.954 1.851 6.251 1.00 0.00 C ATOM 739 C ALA A 48 -2.346 0.865 7.339 1.00 0.00 C ATOM 740 O ALA A 48 -1.636 0.704 8.332 1.00 0.00 O ATOM 741 CB ALA A 48 -2.420 3.255 6.602 1.00 0.00 C ATOM 0 H ALA A 48 -3.316 1.962 4.669 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.867 1.862 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.004 3.546 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.082 3.953 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.509 3.274 6.655 1.00 0.00 H new ATOM 747 N ARG A 49 -3.473 0.193 7.139 1.00 0.00 N ATOM 748 CA ARG A 49 -3.942 -0.790 8.099 1.00 0.00 C ATOM 749 C ARG A 49 -3.058 -2.025 8.055 1.00 0.00 C ATOM 750 O ARG A 49 -2.892 -2.722 9.056 1.00 0.00 O ATOM 751 CB ARG A 49 -5.399 -1.168 7.820 1.00 0.00 C ATOM 752 CG ARG A 49 -5.947 -2.222 8.768 1.00 0.00 C ATOM 753 CD ARG A 49 -7.446 -2.066 8.967 1.00 0.00 C ATOM 754 NE ARG A 49 -7.761 -1.191 10.094 1.00 0.00 N ATOM 755 CZ ARG A 49 -7.697 -1.570 11.368 1.00 0.00 C ATOM 756 NH1 ARG A 49 -7.330 -2.806 11.682 1.00 0.00 N ATOM 757 NH2 ARG A 49 -8.001 -0.710 12.331 1.00 0.00 N ATOM 0 H ARG A 49 -4.074 0.312 6.324 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.888 -0.353 9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.017 -0.273 7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.481 -1.534 6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.733 -3.215 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.441 -2.146 9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.892 -1.662 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.894 -3.046 9.133 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.047 -0.233 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.095 -3.471 10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.283 -3.091 12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.284 0.241 12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.952 -1.000 13.308 1.00 0.00 H new ATOM 771 N TYR A 50 -2.478 -2.280 6.889 1.00 0.00 N ATOM 772 CA TYR A 50 -1.596 -3.420 6.714 1.00 0.00 C ATOM 773 C TYR A 50 -0.303 -3.211 7.474 1.00 0.00 C ATOM 774 O TYR A 50 0.105 -4.044 8.283 1.00 0.00 O ATOM 775 CB TYR A 50 -1.295 -3.642 5.244 1.00 0.00 C ATOM 776 CG TYR A 50 -0.864 -5.054 4.922 1.00 0.00 C ATOM 777 CD1 TYR A 50 0.394 -5.510 5.291 1.00 0.00 C ATOM 778 CD2 TYR A 50 -1.711 -5.928 4.255 1.00 0.00 C ATOM 779 CE1 TYR A 50 0.798 -6.799 5.003 1.00 0.00 C ATOM 780 CE2 TYR A 50 -1.315 -7.220 3.963 1.00 0.00 C ATOM 781 CZ TYR A 50 -0.060 -7.650 4.339 1.00 0.00 C ATOM 782 OH TYR A 50 0.339 -8.936 4.051 1.00 0.00 O ATOM 0 H TYR A 50 -2.604 -1.711 6.052 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.101 -4.302 7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.182 -3.399 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.510 -2.952 4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.068 -4.846 5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.695 -5.594 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.780 -7.138 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.985 -7.889 3.443 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.443 -9.474 3.805 1.00 0.00 H new ATOM 792 N ILE A 51 0.330 -2.085 7.208 1.00 0.00 N ATOM 793 CA ILE A 51 1.578 -1.744 7.864 1.00 0.00 C ATOM 794 C ILE A 51 1.357 -1.529 9.352 1.00 0.00 C ATOM 795 O ILE A 51 2.227 -1.823 10.172 1.00 0.00 O ATOM 796 CB ILE A 51 2.228 -0.484 7.257 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.178 0.454 6.653 1.00 0.00 C ATOM 798 CG2 ILE A 51 3.259 -0.877 6.209 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.588 1.910 6.669 1.00 0.00 C ATOM 0 H ILE A 51 -0.000 -1.389 6.540 1.00 0.00 H new ATOM 0 HA ILE A 51 2.256 -2.583 7.709 1.00 0.00 H new ATOM 0 HB ILE A 51 2.729 0.056 8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.981 0.152 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.243 0.342 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.711 0.021 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.033 -1.490 6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.773 -1.445 5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.797 2.516 6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.757 2.229 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.506 2.036 6.095 1.00 0.00 H new ATOM 811 N LYS A 52 0.182 -1.022 9.690 1.00 0.00 N ATOM 812 CA LYS A 52 -0.172 -0.771 11.076 1.00 0.00 C ATOM 813 C LYS A 52 -0.483 -2.075 11.802 1.00 0.00 C ATOM 814 O LYS A 52 -0.331 -2.172 13.019 1.00 0.00 O ATOM 815 CB LYS A 52 -1.372 0.175 11.158 1.00 0.00 C ATOM 816 CG LYS A 52 -1.644 0.692 12.561 1.00 0.00 C ATOM 817 CD LYS A 52 -0.955 2.024 12.807 1.00 0.00 C ATOM 818 CE LYS A 52 -1.887 3.193 12.533 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.786 3.665 11.125 1.00 0.00 N ATOM 0 H LYS A 52 -0.545 -0.776 9.019 1.00 0.00 H new ATOM 0 HA LYS A 52 0.682 -0.301 11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.202 1.023 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.258 -0.343 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.718 0.805 12.706 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.298 -0.038 13.292 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.607 2.069 13.839 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.074 2.102 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.914 2.895 12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.648 4.014 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.304 4.561 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.786 3.812 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.197 2.952 10.489 1.00 0.00 H new ATOM 833 N LEU A 53 -0.922 -3.074 11.045 1.00 0.00 N ATOM 834 CA LEU A 53 -1.258 -4.370 11.610 1.00 0.00 C ATOM 835 C LEU A 53 -0.050 -5.300 11.620 1.00 0.00 C ATOM 836 O LEU A 53 0.034 -6.217 12.438 1.00 0.00 O ATOM 837 CB LEU A 53 -2.405 -5.011 10.827 1.00 0.00 C ATOM 838 CG LEU A 53 -3.061 -6.215 11.506 1.00 0.00 C ATOM 839 CD1 LEU A 53 -4.468 -6.428 10.968 1.00 0.00 C ATOM 840 CD2 LEU A 53 -2.216 -7.466 11.307 1.00 0.00 C ATOM 0 H LEU A 53 -1.053 -3.008 10.036 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.574 -4.212 12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.169 -4.254 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.029 -5.323 9.853 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.129 -6.014 12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.920 -7.288 11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.070 -5.540 11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.423 -6.608 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.698 -8.312 11.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.116 -7.672 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.228 -7.311 11.740 1.00 0.00 H new ATOM 852 N ARG A 54 0.878 -5.063 10.702 1.00 0.00 N ATOM 853 CA ARG A 54 2.077 -5.883 10.597 1.00 0.00 C ATOM 854 C ARG A 54 3.072 -5.553 11.701 1.00 0.00 C ATOM 855 O ARG A 54 3.444 -6.413 12.499 1.00 0.00 O ATOM 856 CB ARG A 54 2.731 -5.688 9.227 1.00 0.00 C ATOM 857 CG ARG A 54 2.395 -6.787 8.232 1.00 0.00 C ATOM 858 CD ARG A 54 3.151 -8.069 8.543 1.00 0.00 C ATOM 859 NE ARG A 54 2.334 -9.019 9.293 1.00 0.00 N ATOM 860 CZ ARG A 54 2.615 -10.315 9.402 1.00 0.00 C ATOM 861 NH1 ARG A 54 3.690 -10.820 8.810 1.00 0.00 N ATOM 862 NH2 ARG A 54 1.818 -11.110 10.104 1.00 0.00 N ATOM 0 H ARG A 54 0.823 -4.308 10.018 1.00 0.00 H new ATOM 0 HA ARG A 54 1.781 -6.926 10.709 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.416 -4.729 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.813 -5.641 9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.323 -6.982 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.640 -6.454 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.480 -8.530 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.048 -7.831 9.115 1.00 0.00 H new ATOM 0 HE ARG A 54 1.498 -8.668 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.306 -10.214 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.900 -11.814 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.990 -10.728 10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.034 -12.103 10.187 1.00 0.00 H new ATOM 876 N THR A 55 3.498 -4.304 11.731 1.00 0.00 N ATOM 877 CA THR A 55 4.455 -3.841 12.724 1.00 0.00 C ATOM 878 C THR A 55 3.764 -3.493 14.039 1.00 0.00 C ATOM 879 O THR A 55 4.391 -3.491 15.099 1.00 0.00 O ATOM 880 CB THR A 55 5.221 -2.625 12.196 1.00 0.00 C ATOM 881 OG1 THR A 55 4.510 -2.002 11.142 1.00 0.00 O ATOM 882 CG2 THR A 55 6.602 -2.967 11.679 1.00 0.00 C ATOM 0 H THR A 55 3.195 -3.585 11.074 1.00 0.00 H new ATOM 0 HA THR A 55 5.158 -4.652 12.915 1.00 0.00 H new ATOM 0 HB THR A 55 5.325 -1.956 13.050 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.411 -1.046 11.334 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.091 -2.061 11.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.194 -3.404 12.483 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.517 -3.682 10.861 1.00 0.00 H new ATOM 890 N GLY A 56 2.473 -3.198 13.964 1.00 0.00 N ATOM 891 CA GLY A 56 1.720 -2.851 15.152 1.00 0.00 C ATOM 892 C GLY A 56 2.094 -1.489 15.711 1.00 0.00 C ATOM 893 O GLY A 56 1.644 -1.113 16.794 1.00 0.00 O ATOM 0 H GLY A 56 1.933 -3.193 13.099 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.656 -2.862 14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.886 -3.610 15.916 1.00 0.00 H new ATOM 897 N LYS A 57 2.918 -0.747 14.975 1.00 0.00 N ATOM 898 CA LYS A 57 3.347 0.574 15.403 1.00 0.00 C ATOM 899 C LYS A 57 4.042 1.313 14.263 1.00 0.00 C ATOM 900 O LYS A 57 5.264 1.256 14.125 1.00 0.00 O ATOM 901 CB LYS A 57 4.282 0.460 16.601 1.00 0.00 C ATOM 902 CG LYS A 57 3.951 1.425 17.727 1.00 0.00 C ATOM 903 CD LYS A 57 4.240 0.812 19.088 1.00 0.00 C ATOM 904 CE LYS A 57 4.140 1.847 20.197 1.00 0.00 C ATOM 905 NZ LYS A 57 3.686 1.244 21.480 1.00 0.00 N ATOM 0 H LYS A 57 3.301 -1.043 14.077 1.00 0.00 H new ATOM 0 HA LYS A 57 2.465 1.144 15.694 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.244 -0.559 16.985 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.305 0.638 16.271 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.533 2.339 17.607 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.900 1.707 17.669 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.537 0.002 19.280 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.238 0.374 19.087 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.112 2.319 20.342 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.445 2.632 19.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.631 1.982 22.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.747 0.816 21.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.362 0.512 21.778 1.00 0.00 H new ATOM 919 N THR A 58 3.254 2.007 13.450 1.00 0.00 N ATOM 920 CA THR A 58 3.785 2.757 12.324 1.00 0.00 C ATOM 921 C THR A 58 2.937 3.991 12.039 1.00 0.00 C ATOM 922 O THR A 58 1.848 4.150 12.589 1.00 0.00 O ATOM 923 CB THR A 58 3.865 1.878 11.079 1.00 0.00 C ATOM 924 OG1 THR A 58 3.657 0.515 11.406 1.00 0.00 O ATOM 925 CG2 THR A 58 5.191 1.982 10.357 1.00 0.00 C ATOM 0 H THR A 58 2.241 2.064 13.553 1.00 0.00 H new ATOM 0 HA THR A 58 4.791 3.084 12.588 1.00 0.00 H new ATOM 0 HB THR A 58 3.080 2.246 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.127 0.087 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.181 1.332 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.354 3.013 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.995 1.676 11.027 1.00 0.00 H new ATOM 933 N ARG A 59 3.437 4.851 11.160 1.00 0.00 N ATOM 934 CA ARG A 59 2.727 6.056 10.779 1.00 0.00 C ATOM 935 C ARG A 59 3.170 6.504 9.395 1.00 0.00 C ATOM 936 O ARG A 59 3.787 7.557 9.230 1.00 0.00 O ATOM 937 CB ARG A 59 2.970 7.169 11.801 1.00 0.00 C ATOM 938 CG ARG A 59 4.426 7.305 12.216 1.00 0.00 C ATOM 939 CD ARG A 59 4.796 8.756 12.483 1.00 0.00 C ATOM 940 NE ARG A 59 4.773 9.074 13.908 1.00 0.00 N ATOM 941 CZ ARG A 59 5.372 10.137 14.441 1.00 0.00 C ATOM 942 NH1 ARG A 59 6.041 10.985 13.670 1.00 0.00 N ATOM 943 NH2 ARG A 59 5.301 10.352 15.747 1.00 0.00 N ATOM 0 H ARG A 59 4.338 4.731 10.697 1.00 0.00 H new ATOM 0 HA ARG A 59 1.659 5.839 10.756 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.630 8.116 11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.365 6.976 12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.607 6.711 13.112 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.068 6.903 11.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.790 8.956 12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.102 9.410 11.955 1.00 0.00 H new ATOM 0 HE ARG A 59 4.268 8.445 14.532 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.098 10.824 12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.498 11.798 14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.788 9.703 16.344 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.760 11.166 16.155 1.00 0.00 H new ATOM 957 N THR A 60 2.843 5.689 8.403 1.00 0.00 N ATOM 958 CA THR A 60 3.188 5.973 7.024 1.00 0.00 C ATOM 959 C THR A 60 2.036 5.604 6.094 1.00 0.00 C ATOM 960 O THR A 60 1.942 4.467 5.632 1.00 0.00 O ATOM 961 CB THR A 60 4.455 5.215 6.623 1.00 0.00 C ATOM 962 OG1 THR A 60 4.889 4.366 7.671 1.00 0.00 O ATOM 963 CG2 THR A 60 5.608 6.127 6.263 1.00 0.00 C ATOM 0 H THR A 60 2.333 4.816 8.534 1.00 0.00 H new ATOM 0 HA THR A 60 3.377 7.043 6.933 1.00 0.00 H new ATOM 0 HB THR A 60 4.178 4.639 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.699 3.890 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.475 5.526 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.323 6.759 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.857 6.754 7.119 1.00 0.00 H new ATOM 971 N ARG A 61 1.158 6.565 5.827 1.00 0.00 N ATOM 972 CA ARG A 61 0.015 6.333 4.961 1.00 0.00 C ATOM 973 C ARG A 61 0.168 7.076 3.644 1.00 0.00 C ATOM 974 O ARG A 61 -0.161 6.556 2.578 1.00 0.00 O ATOM 975 CB ARG A 61 -1.282 6.756 5.656 1.00 0.00 C ATOM 976 CG ARG A 61 -1.308 6.444 7.144 1.00 0.00 C ATOM 977 CD ARG A 61 -2.549 7.014 7.814 1.00 0.00 C ATOM 978 NE ARG A 61 -3.781 6.541 7.185 1.00 0.00 N ATOM 979 CZ ARG A 61 -4.406 7.177 6.196 1.00 0.00 C ATOM 980 NH1 ARG A 61 -3.920 8.314 5.711 1.00 0.00 N ATOM 981 NH2 ARG A 61 -5.523 6.674 5.689 1.00 0.00 N ATOM 0 H ARG A 61 1.219 7.512 6.200 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.032 5.265 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.426 7.827 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.122 6.256 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.278 5.364 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.417 6.855 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.551 6.736 8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.516 8.103 7.771 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.187 5.669 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.061 8.707 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.406 8.794 4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.902 5.801 6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.003 7.160 4.931 1.00 0.00 H new ATOM 995 N LYS A 62 0.669 8.295 3.731 1.00 0.00 N ATOM 996 CA LYS A 62 0.872 9.125 2.554 1.00 0.00 C ATOM 997 C LYS A 62 2.018 8.593 1.705 1.00 0.00 C ATOM 998 O LYS A 62 2.037 8.764 0.487 1.00 0.00 O ATOM 999 CB LYS A 62 1.144 10.570 2.964 1.00 0.00 C ATOM 1000 CG LYS A 62 0.154 11.565 2.382 1.00 0.00 C ATOM 1001 CD LYS A 62 -0.955 11.890 3.369 1.00 0.00 C ATOM 1002 CE LYS A 62 -1.391 13.342 3.260 1.00 0.00 C ATOM 1003 NZ LYS A 62 -0.368 14.272 3.813 1.00 0.00 N ATOM 0 H LYS A 62 0.945 8.735 4.609 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.039 9.095 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.120 10.641 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.150 10.845 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.677 12.481 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.279 11.157 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.809 11.238 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.611 11.688 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.577 13.588 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.332 13.479 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.802 15.201 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.002 13.889 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.411 14.376 3.132 1.00 0.00 H new ATOM 1017 N GLN A 63 2.970 7.943 2.359 1.00 0.00 N ATOM 1018 CA GLN A 63 4.118 7.380 1.671 1.00 0.00 C ATOM 1019 C GLN A 63 3.743 6.087 0.960 1.00 0.00 C ATOM 1020 O GLN A 63 4.327 5.737 -0.066 1.00 0.00 O ATOM 1021 CB GLN A 63 5.263 7.136 2.652 1.00 0.00 C ATOM 1022 CG GLN A 63 6.493 7.984 2.375 1.00 0.00 C ATOM 1023 CD GLN A 63 7.597 7.203 1.688 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.337 6.227 0.984 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.838 7.631 1.889 1.00 0.00 N ATOM 0 H GLN A 63 2.968 7.793 3.368 1.00 0.00 H new ATOM 0 HA GLN A 63 4.450 8.098 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.913 7.339 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.542 6.083 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.212 8.833 1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.870 8.389 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.007 8.445 2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.622 7.146 1.452 1.00 0.00 H new ATOM 1034 N VAL A 64 2.759 5.386 1.508 1.00 0.00 N ATOM 1035 CA VAL A 64 2.299 4.136 0.925 1.00 0.00 C ATOM 1036 C VAL A 64 1.352 4.389 -0.242 1.00 0.00 C ATOM 1037 O VAL A 64 1.115 3.503 -1.061 1.00 0.00 O ATOM 1038 CB VAL A 64 1.590 3.242 1.961 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.379 1.844 1.401 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.380 3.185 3.259 1.00 0.00 C ATOM 0 H VAL A 64 2.265 5.663 2.356 1.00 0.00 H new ATOM 0 HA VAL A 64 3.189 3.618 0.567 1.00 0.00 H new ATOM 0 HB VAL A 64 0.615 3.679 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.877 1.226 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.764 1.901 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.344 1.402 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.859 2.548 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.371 2.776 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.476 4.190 3.671 1.00 0.00 H new ATOM 1050 N SER A 65 0.821 5.606 -0.323 1.00 0.00 N ATOM 1051 CA SER A 65 -0.083 5.968 -1.399 1.00 0.00 C ATOM 1052 C SER A 65 0.710 6.448 -2.602 1.00 0.00 C ATOM 1053 O SER A 65 0.297 6.280 -3.749 1.00 0.00 O ATOM 1054 CB SER A 65 -1.061 7.053 -0.942 1.00 0.00 C ATOM 1055 OG SER A 65 -2.342 6.859 -1.514 1.00 0.00 O ATOM 0 H SER A 65 1.004 6.354 0.345 1.00 0.00 H new ATOM 0 HA SER A 65 -0.658 5.086 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.139 7.042 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.678 8.034 -1.224 1.00 0.00 H new ATOM 0 HG SER A 65 -3.005 6.750 -0.801 1.00 0.00 H new ATOM 1061 N SER A 66 1.863 7.034 -2.319 1.00 0.00 N ATOM 1062 CA SER A 66 2.747 7.534 -3.353 1.00 0.00 C ATOM 1063 C SER A 66 3.414 6.380 -4.084 1.00 0.00 C ATOM 1064 O SER A 66 3.673 6.451 -5.285 1.00 0.00 O ATOM 1065 CB SER A 66 3.800 8.442 -2.736 1.00 0.00 C ATOM 1066 OG SER A 66 3.961 9.631 -3.490 1.00 0.00 O ATOM 0 H SER A 66 2.209 7.175 -1.370 1.00 0.00 H new ATOM 0 HA SER A 66 2.160 8.105 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.514 8.693 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.751 7.913 -2.680 1.00 0.00 H new ATOM 0 HG SER A 66 4.642 10.196 -3.069 1.00 0.00 H new ATOM 1072 N HIS A 67 3.687 5.318 -3.342 1.00 0.00 N ATOM 1073 CA HIS A 67 4.324 4.135 -3.902 1.00 0.00 C ATOM 1074 C HIS A 67 3.389 3.417 -4.867 1.00 0.00 C ATOM 1075 O HIS A 67 3.834 2.795 -5.832 1.00 0.00 O ATOM 1076 CB HIS A 67 4.758 3.183 -2.786 1.00 0.00 C ATOM 1077 CG HIS A 67 5.783 2.181 -3.219 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.759 1.261 -4.212 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.010 2.045 -2.604 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.959 0.594 -4.179 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.696 1.087 -3.201 1.00 0.00 N flip ATOM 0 H HIS A 67 3.477 5.251 -2.346 1.00 0.00 H new ATOM 0 HA HIS A 67 5.206 4.458 -4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.160 3.767 -1.958 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.882 2.655 -2.409 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.992 1.094 -4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.356 2.631 -1.765 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.252 -0.204 -4.845 1.00 0.00 H new ATOM 1090 N ILE A 68 2.094 3.512 -4.602 1.00 0.00 N ATOM 1091 CA ILE A 68 1.095 2.876 -5.448 1.00 0.00 C ATOM 1092 C ILE A 68 0.951 3.614 -6.772 1.00 0.00 C ATOM 1093 O ILE A 68 0.580 3.025 -7.787 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.279 2.805 -4.751 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.143 2.150 -3.376 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.274 2.038 -5.610 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.228 2.557 -2.403 1.00 0.00 C ATOM 0 H ILE A 68 1.710 4.024 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 68 1.442 1.860 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.652 3.820 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.161 1.067 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.828 2.408 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.238 1.998 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.390 2.541 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.908 1.024 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.068 2.054 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.197 3.636 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.201 2.274 -2.804 1.00 0.00 H new ATOM 1109 N GLN A 69 1.250 4.906 -6.753 1.00 0.00 N ATOM 1110 CA GLN A 69 1.159 5.728 -7.950 1.00 0.00 C ATOM 1111 C GLN A 69 2.318 5.438 -8.893 1.00 0.00 C ATOM 1112 O GLN A 69 2.189 5.563 -10.111 1.00 0.00 O ATOM 1113 CB GLN A 69 1.139 7.212 -7.580 1.00 0.00 C ATOM 1114 CG GLN A 69 0.024 7.584 -6.617 1.00 0.00 C ATOM 1115 CD GLN A 69 -0.516 8.980 -6.862 1.00 0.00 C ATOM 1116 OE1 GLN A 69 -0.419 9.510 -7.969 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -1.089 9.583 -5.827 1.00 0.00 N ATOM 0 H GLN A 69 1.558 5.407 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 69 0.228 5.482 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.097 7.480 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.034 7.803 -8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.788 6.863 -6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.394 7.516 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.148 9.106 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.471 10.523 -5.932 1.00 0.00 H new ATOM 1126 N VAL A 70 3.447 5.044 -8.321 1.00 0.00 N ATOM 1127 CA VAL A 70 4.630 4.728 -9.107 1.00 0.00 C ATOM 1128 C VAL A 70 4.461 3.400 -9.829 1.00 0.00 C ATOM 1129 O VAL A 70 5.018 3.189 -10.906 1.00 0.00 O ATOM 1130 CB VAL A 70 5.898 4.672 -8.245 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.136 4.893 -9.101 1.00 0.00 C ATOM 1132 CG2 VAL A 70 5.837 5.688 -7.112 1.00 0.00 C ATOM 0 H VAL A 70 3.568 4.936 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 70 4.743 5.531 -9.835 1.00 0.00 H new ATOM 0 HB VAL A 70 5.960 3.679 -7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.025 4.850 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.193 4.117 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.077 5.870 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.749 5.626 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.743 6.691 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.976 5.475 -6.479 1.00 0.00 H new ATOM 1142 N LEU A 71 3.681 2.511 -9.230 1.00 0.00 N ATOM 1143 CA LEU A 71 3.425 1.204 -9.812 1.00 0.00 C ATOM 1144 C LEU A 71 2.518 1.327 -11.029 1.00 0.00 C ATOM 1145 O LEU A 71 2.579 0.511 -11.949 1.00 0.00 O ATOM 1146 CB LEU A 71 2.801 0.271 -8.776 1.00 0.00 C ATOM 1147 CG LEU A 71 3.632 -0.967 -8.436 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.615 -0.659 -7.318 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.725 -2.125 -8.047 1.00 0.00 C ATOM 0 H LEU A 71 3.214 2.673 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 71 4.376 0.780 -10.133 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.626 0.835 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.827 -0.053 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 71 4.199 -1.256 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.198 -1.552 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.285 0.141 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.068 -0.345 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.332 -2.998 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.132 -1.846 -7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.060 -2.362 -8.878 1.00 0.00 H new ATOM 1161 N ALA A 72 1.681 2.356 -11.027 1.00 0.00 N ATOM 1162 CA ALA A 72 0.762 2.596 -12.129 1.00 0.00 C ATOM 1163 C ALA A 72 1.509 3.072 -13.367 1.00 0.00 C ATOM 1164 O ALA A 72 1.073 2.845 -14.495 1.00 0.00 O ATOM 1165 CB ALA A 72 -0.299 3.607 -11.724 1.00 0.00 C ATOM 0 H ALA A 72 1.620 3.039 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 72 0.270 1.654 -12.373 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.979 3.776 -12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.860 3.224 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.180 4.547 -11.450 1.00 0.00 H new ATOM 1171 N ARG A 73 2.639 3.731 -13.145 1.00 0.00 N ATOM 1172 CA ARG A 73 3.453 4.240 -14.238 1.00 0.00 C ATOM 1173 C ARG A 73 4.151 3.100 -14.970 1.00 0.00 C ATOM 1174 O ARG A 73 4.434 3.194 -16.164 1.00 0.00 O ATOM 1175 CB ARG A 73 4.488 5.238 -13.714 1.00 0.00 C ATOM 1176 CG ARG A 73 3.875 6.509 -13.150 1.00 0.00 C ATOM 1177 CD ARG A 73 4.944 7.515 -12.755 1.00 0.00 C ATOM 1178 NE ARG A 73 4.537 8.888 -13.045 1.00 0.00 N ATOM 1179 CZ ARG A 73 5.176 9.963 -12.590 1.00 0.00 C ATOM 1180 NH1 ARG A 73 6.252 9.828 -11.824 1.00 0.00 N ATOM 1181 NH2 ARG A 73 4.740 11.175 -12.901 1.00 0.00 N ATOM 0 H ARG A 73 3.012 3.925 -12.216 1.00 0.00 H new ATOM 0 HA ARG A 73 2.795 4.751 -14.941 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.084 4.757 -12.939 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.169 5.501 -14.523 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.211 6.954 -13.891 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.264 6.265 -12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.158 7.417 -11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.868 7.290 -13.288 1.00 0.00 H new ATOM 0 HE ARG A 73 3.714 9.031 -13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.592 8.897 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.738 10.655 -11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.914 11.284 -13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.230 11.999 -12.552 1.00 0.00 H new ATOM 1195 N ARG A 74 4.421 2.025 -14.243 1.00 0.00 N ATOM 1196 CA ARG A 74 5.083 0.862 -14.815 1.00 0.00 C ATOM 1197 C ARG A 74 4.135 0.082 -15.719 1.00 0.00 C ATOM 1198 O ARG A 74 4.567 -0.624 -16.629 1.00 0.00 O ATOM 1199 CB ARG A 74 5.614 -0.048 -13.705 1.00 0.00 C ATOM 1200 CG ARG A 74 6.938 0.416 -13.120 1.00 0.00 C ATOM 1201 CD ARG A 74 7.770 -0.756 -12.627 1.00 0.00 C ATOM 1202 NE ARG A 74 9.192 -0.427 -12.558 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.985 -0.339 -13.623 1.00 0.00 C ATOM 1204 NH1 ARG A 74 9.500 -0.555 -14.840 1.00 0.00 N ATOM 1205 NH2 ARG A 74 11.267 -0.035 -13.472 1.00 0.00 N ATOM 0 H ARG A 74 4.191 1.934 -13.253 1.00 0.00 H new ATOM 0 HA ARG A 74 5.920 1.214 -15.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.873 -0.104 -12.907 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.734 -1.057 -14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.497 0.968 -13.875 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.752 1.104 -12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.420 -1.060 -11.640 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.627 -1.608 -13.292 1.00 0.00 H new ATOM 0 HE ARG A 74 9.601 -0.255 -11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.515 -0.790 -14.962 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.112 -0.486 -15.653 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.645 0.131 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.875 0.032 -14.288 1.00 0.00 H new ATOM 1219 N LYS A 75 2.840 0.215 -15.458 1.00 0.00 N ATOM 1220 CA LYS A 75 1.827 -0.473 -16.243 1.00 0.00 C ATOM 1221 C LYS A 75 1.566 0.247 -17.562 1.00 0.00 C ATOM 1222 O LYS A 75 1.074 -0.351 -18.519 1.00 0.00 O ATOM 1223 CB LYS A 75 0.527 -0.590 -15.445 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.212 -1.898 -15.675 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.897 -2.382 -14.407 1.00 0.00 C ATOM 1226 CE LYS A 75 0.000 -3.316 -13.612 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.736 -3.983 -12.503 1.00 0.00 N ATOM 0 H LYS A 75 2.468 0.795 -14.706 1.00 0.00 H new ATOM 0 HA LYS A 75 2.200 -1.472 -16.469 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.752 -0.491 -14.383 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.128 0.240 -15.710 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.954 -1.764 -16.462 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.489 -2.657 -16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.170 -1.526 -13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.822 -2.897 -14.666 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.417 -4.072 -14.277 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.839 -2.753 -13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.089 -4.611 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.113 -3.263 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.522 -4.541 -12.894 1.00 0.00 H new ATOM 1241 N SER A 76 1.896 1.533 -17.606 1.00 0.00 N ATOM 1242 CA SER A 76 1.693 2.333 -18.808 1.00 0.00 C ATOM 1243 C SER A 76 2.529 1.809 -19.971 1.00 0.00 C ATOM 1244 O SER A 76 2.238 2.093 -21.132 1.00 0.00 O ATOM 1245 CB SER A 76 2.037 3.799 -18.536 1.00 0.00 C ATOM 1246 OG SER A 76 1.131 4.667 -19.195 1.00 0.00 O ATOM 0 H SER A 76 2.305 2.044 -16.823 1.00 0.00 H new ATOM 0 HA SER A 76 0.641 2.257 -19.084 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.012 3.989 -17.463 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.053 4.006 -18.872 1.00 0.00 H new ATOM 0 HG SER A 76 1.372 5.598 -19.004 1.00 0.00 H new ATOM 1252 N ARG A 77 3.565 1.040 -19.654 1.00 0.00 N ATOM 1253 CA ARG A 77 4.433 0.478 -20.673 1.00 0.00 C ATOM 1254 C ARG A 77 3.966 -0.917 -21.082 1.00 0.00 C ATOM 1255 O ARG A 77 4.757 -1.731 -21.557 1.00 0.00 O ATOM 1256 CB ARG A 77 5.877 0.420 -20.172 1.00 0.00 C ATOM 1257 CG ARG A 77 6.055 -0.424 -18.920 1.00 0.00 C ATOM 1258 CD ARG A 77 7.355 -1.211 -18.957 1.00 0.00 C ATOM 1259 NE ARG A 77 7.139 -2.608 -19.329 1.00 0.00 N ATOM 1260 CZ ARG A 77 6.695 -3.539 -18.488 1.00 0.00 C ATOM 1261 NH1 ARG A 77 6.418 -3.227 -17.228 1.00 0.00 N ATOM 1262 NH2 ARG A 77 6.527 -4.785 -18.907 1.00 0.00 N ATOM 0 H ARG A 77 3.821 0.794 -18.698 1.00 0.00 H new ATOM 0 HA ARG A 77 4.387 1.126 -21.548 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.511 0.019 -20.963 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.223 1.433 -19.969 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.044 0.221 -18.041 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.215 -1.112 -18.821 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.039 -0.748 -19.668 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.834 -1.166 -17.979 1.00 0.00 H new ATOM 0 HE ARG A 77 7.340 -2.886 -20.290 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.545 -2.270 -16.900 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.078 -3.945 -16.588 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.738 -5.031 -19.874 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.187 -5.498 -18.262 1.00 0.00 H new ATOM 1276 N ASP A 78 2.676 -1.189 -20.893 1.00 0.00 N ATOM 1277 CA ASP A 78 2.111 -2.486 -21.243 1.00 0.00 C ATOM 1278 C ASP A 78 2.223 -2.751 -22.742 1.00 0.00 C ATOM 1279 O ASP A 78 2.194 -3.900 -23.182 1.00 0.00 O ATOM 1280 CB ASP A 78 0.650 -2.563 -20.804 1.00 0.00 C ATOM 1281 CG ASP A 78 0.412 -3.649 -19.772 1.00 0.00 C ATOM 1282 OD1 ASP A 78 0.612 -3.379 -18.569 1.00 0.00 O ATOM 1283 OD2 ASP A 78 0.026 -4.769 -20.167 1.00 0.00 O ATOM 0 H ASP A 78 2.005 -0.528 -20.500 1.00 0.00 H new ATOM 0 HA ASP A 78 2.682 -3.253 -20.719 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.346 -1.601 -20.391 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.021 -2.749 -21.675 1.00 0.00 H new