USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot -34:sc= 0.686 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 1.1 F(o=-1.3!,f=1.1) USER MOD Single : A 33 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 91:sc= 0.446 USER MOD Single : A 65 HIS : no HE2:sc= -5.93! C(o=-5.9!,f=-8.8!) USER MOD Single : A 68 SER OG : rot 78:sc= -0.669 USER MOD Single : A 71 SER OG : rot 131:sc= 0.602 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.046 -9.279 -5.150 1.00 0.00 N ATOM 64 CA HIS A 3 2.122 -8.565 -6.082 1.00 0.00 C ATOM 65 C HIS A 3 2.208 -7.051 -5.870 1.00 0.00 C ATOM 66 O HIS A 3 1.209 -6.359 -5.879 1.00 0.00 O ATOM 67 CB HIS A 3 0.681 -9.029 -5.844 1.00 0.00 C ATOM 68 CG HIS A 3 0.649 -10.528 -5.724 1.00 0.00 C ATOM 69 ND1 HIS A 3 0.856 -11.363 -6.815 1.00 0.00 N ATOM 70 CD2 HIS A 3 0.437 -11.360 -4.652 1.00 0.00 C ATOM 71 CE1 HIS A 3 0.764 -12.632 -6.378 1.00 0.00 C ATOM 72 NE2 HIS A 3 0.510 -12.683 -5.070 1.00 0.00 N ATOM 0 HA HIS A 3 2.418 -8.797 -7.105 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.286 -8.573 -4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.043 -8.706 -6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.243 -11.036 -3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.881 -13.501 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.394 -13.518 -4.496 1.00 0.00 H new ATOM 81 N ALA A 4 3.390 -6.523 -5.691 1.00 0.00 N ATOM 82 CA ALA A 4 3.517 -5.050 -5.493 1.00 0.00 C ATOM 83 C ALA A 4 2.984 -4.325 -6.732 1.00 0.00 C ATOM 84 O ALA A 4 2.351 -3.291 -6.637 1.00 0.00 O ATOM 85 CB ALA A 4 4.990 -4.685 -5.297 1.00 0.00 C ATOM 0 H ALA A 4 4.267 -7.044 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 4 2.945 -4.752 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.082 -3.609 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.380 -5.203 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.559 -4.983 -6.178 1.00 0.00 H new ATOM 91 N SER A 5 3.241 -4.859 -7.895 1.00 0.00 N ATOM 92 CA SER A 5 2.757 -4.205 -9.144 1.00 0.00 C ATOM 93 C SER A 5 1.231 -4.111 -9.125 1.00 0.00 C ATOM 94 O SER A 5 0.653 -3.156 -9.607 1.00 0.00 O ATOM 95 CB SER A 5 3.201 -5.028 -10.353 1.00 0.00 C ATOM 96 OG SER A 5 4.613 -5.193 -10.317 1.00 0.00 O ATOM 0 H SER A 5 3.767 -5.722 -8.034 1.00 0.00 H new ATOM 0 HA SER A 5 3.177 -3.201 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.709 -6.001 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.905 -4.529 -11.276 1.00 0.00 H new ATOM 0 HG SER A 5 4.900 -5.722 -11.090 1.00 0.00 H new ATOM 102 N VAL A 6 0.572 -5.093 -8.578 1.00 0.00 N ATOM 103 CA VAL A 6 -0.917 -5.057 -8.538 1.00 0.00 C ATOM 104 C VAL A 6 -1.379 -3.843 -7.731 1.00 0.00 C ATOM 105 O VAL A 6 -2.265 -3.114 -8.134 1.00 0.00 O ATOM 106 CB VAL A 6 -1.439 -6.334 -7.883 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.940 -6.201 -7.624 1.00 0.00 C ATOM 108 CG2 VAL A 6 -1.185 -7.522 -8.814 1.00 0.00 C ATOM 0 H VAL A 6 0.999 -5.918 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.305 -4.984 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.922 -6.494 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.311 -7.113 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.121 -5.354 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.459 -6.040 -8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.557 -8.435 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.702 -7.360 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.115 -7.618 -8.998 1.00 0.00 H new ATOM 118 N ILE A 7 -0.782 -3.617 -6.595 1.00 0.00 N ATOM 119 CA ILE A 7 -1.181 -2.449 -5.763 1.00 0.00 C ATOM 120 C ILE A 7 -0.960 -1.166 -6.563 1.00 0.00 C ATOM 121 O ILE A 7 -1.792 -0.274 -6.582 1.00 0.00 O ATOM 122 CB ILE A 7 -0.321 -2.412 -4.501 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.481 -3.728 -3.736 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.774 -1.250 -3.617 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.603 -3.826 -2.660 1.00 0.00 C ATOM 0 H ILE A 7 -0.034 -4.191 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.232 -2.534 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 7 0.726 -2.277 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.469 -3.777 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.405 -4.572 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.163 -1.219 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.663 -0.313 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.820 -1.388 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.490 -4.763 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.586 -3.796 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.506 -2.989 -1.968 1.00 0.00 H new ATOM 137 N ALA A 8 0.155 -1.071 -7.231 1.00 0.00 N ATOM 138 CA ALA A 8 0.439 0.144 -8.037 1.00 0.00 C ATOM 139 C ALA A 8 -0.646 0.294 -9.104 1.00 0.00 C ATOM 140 O ALA A 8 -1.055 1.386 -9.446 1.00 0.00 O ATOM 141 CB ALA A 8 1.805 -0.003 -8.710 1.00 0.00 C ATOM 0 H ALA A 8 0.883 -1.785 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 8 0.447 1.025 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.016 0.887 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.575 -0.123 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.798 -0.878 -9.360 1.00 0.00 H new ATOM 147 N GLN A 9 -1.112 -0.804 -9.633 1.00 0.00 N ATOM 148 CA GLN A 9 -2.171 -0.747 -10.680 1.00 0.00 C ATOM 149 C GLN A 9 -3.459 -0.157 -10.096 1.00 0.00 C ATOM 150 O GLN A 9 -4.169 0.576 -10.752 1.00 0.00 O ATOM 151 CB GLN A 9 -2.446 -2.160 -11.196 1.00 0.00 C ATOM 152 CG GLN A 9 -3.390 -2.090 -12.398 1.00 0.00 C ATOM 153 CD GLN A 9 -3.748 -3.507 -12.850 1.00 0.00 C ATOM 154 OE1 GLN A 9 -3.157 -4.526 -12.289 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -4.575 -3.689 -13.721 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.803 -1.743 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.831 -0.113 -11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.511 -2.642 -11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.890 -2.767 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.294 -1.543 -12.132 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.916 -1.545 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.037 -2.893 -14.160 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.807 -4.638 -14.014 1.00 0.00 H new ATOM 164 N PHE A 10 -3.780 -0.484 -8.876 1.00 0.00 N ATOM 165 CA PHE A 10 -5.036 0.054 -8.273 1.00 0.00 C ATOM 166 C PHE A 10 -4.948 1.567 -8.082 1.00 0.00 C ATOM 167 O PHE A 10 -5.852 2.297 -8.439 1.00 0.00 O ATOM 168 CB PHE A 10 -5.274 -0.590 -6.906 1.00 0.00 C ATOM 169 CG PHE A 10 -5.969 -1.921 -7.061 1.00 0.00 C ATOM 170 CD1 PHE A 10 -7.355 -1.966 -7.250 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.233 -3.111 -6.995 1.00 0.00 C ATOM 172 CE1 PHE A 10 -8.007 -3.197 -7.372 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.885 -4.344 -7.121 1.00 0.00 C ATOM 174 CZ PHE A 10 -7.271 -4.386 -7.308 1.00 0.00 C ATOM 0 H PHE A 10 -3.233 -1.097 -8.271 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.857 -0.177 -8.952 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.323 -0.728 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.878 0.072 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.922 -1.048 -7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.164 -3.078 -6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.077 -3.230 -7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.318 -5.262 -7.074 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.774 -5.337 -7.403 1.00 0.00 H new ATOM 184 N VAL A 11 -3.889 2.046 -7.497 1.00 0.00 N ATOM 185 CA VAL A 11 -3.782 3.513 -7.263 1.00 0.00 C ATOM 186 C VAL A 11 -3.842 4.271 -8.590 1.00 0.00 C ATOM 187 O VAL A 11 -4.574 5.231 -8.727 1.00 0.00 O ATOM 188 CB VAL A 11 -2.466 3.826 -6.548 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.543 3.351 -5.097 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.315 3.109 -7.253 1.00 0.00 C ATOM 0 H VAL A 11 -3.097 1.491 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.618 3.831 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.294 4.902 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.604 3.575 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.361 3.863 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.719 2.276 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.379 3.334 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.490 2.033 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.254 3.448 -8.287 1.00 0.00 H new ATOM 200 N VAL A 12 -3.085 3.863 -9.572 1.00 0.00 N ATOM 201 CA VAL A 12 -3.123 4.586 -10.871 1.00 0.00 C ATOM 202 C VAL A 12 -4.507 4.441 -11.512 1.00 0.00 C ATOM 203 O VAL A 12 -5.065 5.393 -12.017 1.00 0.00 O ATOM 204 CB VAL A 12 -2.055 4.017 -11.805 1.00 0.00 C ATOM 205 CG1 VAL A 12 -0.678 4.168 -11.158 1.00 0.00 C ATOM 206 CG2 VAL A 12 -2.333 2.537 -12.062 1.00 0.00 C ATOM 0 H VAL A 12 -2.448 3.067 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.924 5.644 -10.698 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.077 4.560 -12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.083 3.762 -11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.475 5.223 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.659 3.626 -10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.570 2.134 -12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.314 1.994 -11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.314 2.426 -12.524 1.00 0.00 H new ATOM 216 N GLU A 13 -5.077 3.265 -11.493 1.00 0.00 N ATOM 217 CA GLU A 13 -6.423 3.085 -12.107 1.00 0.00 C ATOM 218 C GLU A 13 -7.460 3.894 -11.334 1.00 0.00 C ATOM 219 O GLU A 13 -8.480 4.285 -11.866 1.00 0.00 O ATOM 220 CB GLU A 13 -6.801 1.608 -12.085 1.00 0.00 C ATOM 221 CG GLU A 13 -5.974 0.859 -13.124 1.00 0.00 C ATOM 222 CD GLU A 13 -6.404 -0.609 -13.159 1.00 0.00 C ATOM 223 OE1 GLU A 13 -7.181 -0.999 -12.303 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.948 -1.318 -14.041 1.00 0.00 O ATOM 0 H GLU A 13 -4.670 2.426 -11.081 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.396 3.436 -13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.624 1.191 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.864 1.490 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.109 1.312 -14.106 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.914 0.932 -12.882 1.00 0.00 H new ATOM 231 N GLU A 14 -7.215 4.138 -10.082 1.00 0.00 N ATOM 232 CA GLU A 14 -8.195 4.908 -9.270 1.00 0.00 C ATOM 233 C GLU A 14 -8.316 6.335 -9.819 1.00 0.00 C ATOM 234 O GLU A 14 -9.360 6.950 -9.734 1.00 0.00 O ATOM 235 CB GLU A 14 -7.725 4.953 -7.814 1.00 0.00 C ATOM 236 CG GLU A 14 -8.835 5.533 -6.935 1.00 0.00 C ATOM 237 CD GLU A 14 -8.333 5.658 -5.495 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.185 5.322 -5.257 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.106 6.088 -4.655 1.00 0.00 O ATOM 0 H GLU A 14 -6.378 3.838 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.169 4.422 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.464 3.951 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.825 5.562 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.139 6.510 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.715 4.890 -6.970 1.00 0.00 H new ATOM 246 N PHE A 15 -7.263 6.873 -10.379 1.00 0.00 N ATOM 247 CA PHE A 15 -7.346 8.262 -10.922 1.00 0.00 C ATOM 248 C PHE A 15 -6.558 8.383 -12.232 1.00 0.00 C ATOM 249 O PHE A 15 -6.947 9.110 -13.125 1.00 0.00 O ATOM 250 CB PHE A 15 -6.771 9.246 -9.901 1.00 0.00 C ATOM 251 CG PHE A 15 -7.679 9.320 -8.696 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.851 10.084 -8.750 1.00 0.00 C ATOM 253 CD2 PHE A 15 -7.348 8.628 -7.525 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.692 10.155 -7.633 1.00 0.00 C ATOM 255 CE2 PHE A 15 -8.187 8.701 -6.408 1.00 0.00 C ATOM 256 CZ PHE A 15 -9.360 9.464 -6.462 1.00 0.00 C ATOM 0 H PHE A 15 -6.357 6.416 -10.483 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.393 8.492 -11.118 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.774 8.928 -9.597 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.668 10.233 -10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.106 10.618 -9.653 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.445 8.038 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.597 10.743 -7.675 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.930 8.169 -5.504 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.008 9.519 -5.600 1.00 0.00 H new ATOM 266 N LEU A 16 -5.449 7.700 -12.351 1.00 0.00 N ATOM 267 CA LEU A 16 -4.638 7.805 -13.601 1.00 0.00 C ATOM 268 C LEU A 16 -4.461 6.424 -14.241 1.00 0.00 C ATOM 269 O LEU A 16 -3.432 5.796 -14.094 1.00 0.00 O ATOM 270 CB LEU A 16 -3.263 8.366 -13.241 1.00 0.00 C ATOM 271 CG LEU A 16 -3.281 9.888 -13.382 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.050 10.480 -12.693 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.264 10.267 -14.866 1.00 0.00 C ATOM 0 H LEU A 16 -5.070 7.076 -11.639 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.149 8.458 -14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.001 8.088 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.502 7.939 -13.894 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.184 10.282 -12.917 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.063 11.565 -12.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.061 10.214 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.147 10.084 -13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.277 11.352 -14.964 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.362 9.871 -15.332 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.141 9.848 -15.359 1.00 0.00 H new ATOM 285 N PRO A 17 -5.456 5.953 -14.948 1.00 0.00 N ATOM 286 CA PRO A 17 -5.399 4.624 -15.622 1.00 0.00 C ATOM 287 C PRO A 17 -4.536 4.644 -16.889 1.00 0.00 C ATOM 288 O PRO A 17 -4.213 3.614 -17.446 1.00 0.00 O ATOM 289 CB PRO A 17 -6.858 4.327 -15.970 1.00 0.00 C ATOM 290 CG PRO A 17 -7.540 5.655 -16.049 1.00 0.00 C ATOM 291 CD PRO A 17 -6.740 6.633 -15.185 1.00 0.00 C ATOM 0 HA PRO A 17 -4.942 3.869 -14.982 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.932 3.793 -16.917 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.320 3.696 -15.211 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.585 6.003 -17.081 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.568 5.580 -15.693 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.596 7.586 -15.694 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.254 6.847 -14.248 1.00 0.00 H new ATOM 299 N ASP A 18 -4.172 5.807 -17.354 1.00 0.00 N ATOM 300 CA ASP A 18 -3.345 5.895 -18.588 1.00 0.00 C ATOM 301 C ASP A 18 -1.856 5.968 -18.229 1.00 0.00 C ATOM 302 O ASP A 18 -1.030 6.284 -19.062 1.00 0.00 O ATOM 303 CB ASP A 18 -3.740 7.150 -19.360 1.00 0.00 C ATOM 304 CG ASP A 18 -5.164 6.993 -19.899 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.672 5.885 -19.858 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.720 7.984 -20.342 1.00 0.00 O ATOM 0 H ASP A 18 -4.413 6.703 -16.930 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.516 5.008 -19.198 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.680 8.023 -18.710 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.045 7.317 -20.183 1.00 0.00 H new ATOM 311 N VAL A 19 -1.507 5.685 -17.001 1.00 0.00 N ATOM 312 CA VAL A 19 -0.069 5.748 -16.601 1.00 0.00 C ATOM 313 C VAL A 19 0.470 4.335 -16.359 1.00 0.00 C ATOM 314 O VAL A 19 -0.164 3.518 -15.721 1.00 0.00 O ATOM 315 CB VAL A 19 0.066 6.572 -15.320 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.539 6.653 -14.920 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.467 7.985 -15.569 1.00 0.00 C ATOM 0 H VAL A 19 -2.153 5.414 -16.260 1.00 0.00 H new ATOM 0 HA VAL A 19 0.505 6.216 -17.401 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.504 6.099 -14.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.636 7.240 -14.007 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.925 5.648 -14.748 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.107 7.128 -15.719 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.372 8.575 -14.658 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.107 8.455 -16.367 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.516 7.932 -15.860 1.00 0.00 H new ATOM 327 N ALA A 20 1.638 4.045 -16.867 1.00 0.00 N ATOM 328 CA ALA A 20 2.226 2.689 -16.673 1.00 0.00 C ATOM 329 C ALA A 20 2.714 2.548 -15.219 1.00 0.00 C ATOM 330 O ALA A 20 3.593 3.271 -14.796 1.00 0.00 O ATOM 331 CB ALA A 20 3.419 2.522 -17.617 1.00 0.00 C ATOM 0 H ALA A 20 2.211 4.691 -17.409 1.00 0.00 H new ATOM 0 HA ALA A 20 1.474 1.929 -16.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.855 1.532 -17.481 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.085 2.633 -18.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.168 3.282 -17.395 1.00 0.00 H new ATOM 337 N PRO A 21 2.166 1.629 -14.450 1.00 0.00 N ATOM 338 CA PRO A 21 2.592 1.432 -13.032 1.00 0.00 C ATOM 339 C PRO A 21 4.107 1.247 -12.898 1.00 0.00 C ATOM 340 O PRO A 21 4.689 1.547 -11.875 1.00 0.00 O ATOM 341 CB PRO A 21 1.874 0.155 -12.589 1.00 0.00 C ATOM 342 CG PRO A 21 0.746 -0.049 -13.544 1.00 0.00 C ATOM 343 CD PRO A 21 1.092 0.695 -14.834 1.00 0.00 C ATOM 0 HA PRO A 21 2.344 2.303 -12.426 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.554 -0.697 -12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.505 0.251 -11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.599 -1.111 -13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.186 0.328 -13.122 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.425 0.007 -15.611 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.227 1.227 -15.229 1.00 0.00 H new ATOM 351 N ALA A 22 4.746 0.747 -13.918 1.00 0.00 N ATOM 352 CA ALA A 22 6.221 0.534 -13.844 1.00 0.00 C ATOM 353 C ALA A 22 6.939 1.879 -13.713 1.00 0.00 C ATOM 354 O ALA A 22 8.038 1.957 -13.202 1.00 0.00 O ATOM 355 CB ALA A 22 6.698 -0.177 -15.112 1.00 0.00 C ATOM 0 H ALA A 22 4.312 0.476 -14.800 1.00 0.00 H new ATOM 0 HA ALA A 22 6.449 -0.079 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.775 -0.333 -15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.196 -1.141 -15.200 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.463 0.435 -15.983 1.00 0.00 H new ATOM 361 N ASP A 23 6.334 2.938 -14.177 1.00 0.00 N ATOM 362 CA ASP A 23 6.994 4.270 -14.083 1.00 0.00 C ATOM 363 C ASP A 23 6.685 4.916 -12.731 1.00 0.00 C ATOM 364 O ASP A 23 6.998 6.066 -12.497 1.00 0.00 O ATOM 365 CB ASP A 23 6.497 5.173 -15.216 1.00 0.00 C ATOM 366 CG ASP A 23 5.003 5.458 -15.043 1.00 0.00 C ATOM 367 OD1 ASP A 23 4.491 5.218 -13.962 1.00 0.00 O ATOM 368 OD2 ASP A 23 4.395 5.914 -15.997 1.00 0.00 O ATOM 0 H ASP A 23 5.413 2.938 -14.616 1.00 0.00 H new ATOM 0 HA ASP A 23 8.072 4.139 -14.173 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.056 6.109 -15.218 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.675 4.694 -16.179 1.00 0.00 H new ATOM 373 N VAL A 24 6.071 4.191 -11.835 1.00 0.00 N ATOM 374 CA VAL A 24 5.747 4.779 -10.503 1.00 0.00 C ATOM 375 C VAL A 24 6.767 4.299 -9.475 1.00 0.00 C ATOM 376 O VAL A 24 7.051 3.121 -9.373 1.00 0.00 O ATOM 377 CB VAL A 24 4.359 4.319 -10.064 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.905 5.146 -8.859 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.367 4.500 -11.215 1.00 0.00 C ATOM 0 H VAL A 24 5.781 3.222 -11.966 1.00 0.00 H new ATOM 0 HA VAL A 24 5.772 5.866 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 24 4.398 3.265 -9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.914 4.818 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.609 5.010 -8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.868 6.200 -9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.378 4.171 -10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.326 5.552 -11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.690 3.907 -12.070 1.00 0.00 H new ATOM 389 N ASP A 25 7.315 5.193 -8.701 1.00 0.00 N ATOM 390 CA ASP A 25 8.304 4.770 -7.677 1.00 0.00 C ATOM 391 C ASP A 25 7.568 4.435 -6.379 1.00 0.00 C ATOM 392 O ASP A 25 6.907 5.272 -5.797 1.00 0.00 O ATOM 393 CB ASP A 25 9.292 5.908 -7.419 1.00 0.00 C ATOM 394 CG ASP A 25 10.395 5.425 -6.475 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.387 4.252 -6.140 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.228 6.234 -6.104 1.00 0.00 O ATOM 0 H ASP A 25 7.121 6.194 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 25 8.846 3.893 -8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.727 6.246 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.773 6.762 -6.982 1.00 0.00 H new ATOM 401 N VAL A 26 7.680 3.222 -5.918 1.00 0.00 N ATOM 402 CA VAL A 26 6.991 2.846 -4.657 1.00 0.00 C ATOM 403 C VAL A 26 7.767 3.420 -3.470 1.00 0.00 C ATOM 404 O VAL A 26 7.436 3.183 -2.324 1.00 0.00 O ATOM 405 CB VAL A 26 6.940 1.323 -4.548 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.237 0.746 -5.778 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.366 0.771 -4.471 1.00 0.00 C ATOM 0 H VAL A 26 8.218 2.477 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 26 5.977 3.245 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 26 6.390 1.041 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.201 -0.341 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.222 1.140 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.786 1.027 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.332 -0.316 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.914 1.053 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.868 1.182 -3.595 1.00 0.00 H new ATOM 417 N ASP A 27 8.794 4.181 -3.735 1.00 0.00 N ATOM 418 CA ASP A 27 9.589 4.780 -2.631 1.00 0.00 C ATOM 419 C ASP A 27 9.096 6.204 -2.371 1.00 0.00 C ATOM 420 O ASP A 27 9.599 6.900 -1.511 1.00 0.00 O ATOM 421 CB ASP A 27 11.062 4.814 -3.037 1.00 0.00 C ATOM 422 CG ASP A 27 11.600 3.386 -3.130 1.00 0.00 C ATOM 423 OD1 ASP A 27 10.919 2.485 -2.668 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.685 3.216 -3.662 1.00 0.00 O ATOM 0 H ASP A 27 9.116 4.413 -4.674 1.00 0.00 H new ATOM 0 HA ASP A 27 9.474 4.185 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.174 5.319 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.638 5.384 -2.308 1.00 0.00 H new ATOM 429 N LEU A 28 8.114 6.639 -3.109 1.00 0.00 N ATOM 430 CA LEU A 28 7.580 8.016 -2.914 1.00 0.00 C ATOM 431 C LEU A 28 6.379 7.960 -1.973 1.00 0.00 C ATOM 432 O LEU A 28 5.595 7.032 -2.010 1.00 0.00 O ATOM 433 CB LEU A 28 7.149 8.591 -4.265 1.00 0.00 C ATOM 434 CG LEU A 28 6.690 10.041 -4.086 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.890 10.927 -3.739 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.056 10.536 -5.389 1.00 0.00 C ATOM 0 H LEU A 28 7.656 6.098 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 28 8.352 8.653 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.978 8.546 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.340 7.993 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 28 5.960 10.090 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.557 11.957 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.345 10.577 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.623 10.878 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.728 11.568 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.789 10.482 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.199 9.910 -5.637 1.00 0.00 H new ATOM 448 N ASP A 29 6.223 8.940 -1.127 1.00 0.00 N ATOM 449 CA ASP A 29 5.070 8.922 -0.189 1.00 0.00 C ATOM 450 C ASP A 29 3.776 9.073 -0.988 1.00 0.00 C ATOM 451 O ASP A 29 3.561 10.051 -1.675 1.00 0.00 O ATOM 452 CB ASP A 29 5.197 10.074 0.809 1.00 0.00 C ATOM 453 CG ASP A 29 4.082 9.974 1.851 1.00 0.00 C ATOM 454 OD1 ASP A 29 4.253 9.234 2.805 1.00 0.00 O ATOM 455 OD2 ASP A 29 3.075 10.642 1.678 1.00 0.00 O ATOM 0 H ASP A 29 6.841 9.747 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 29 5.057 7.979 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.170 10.039 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.137 11.029 0.287 1.00 0.00 H new ATOM 460 N LEU A 30 2.924 8.091 -0.913 1.00 0.00 N ATOM 461 CA LEU A 30 1.646 8.132 -1.674 1.00 0.00 C ATOM 462 C LEU A 30 0.773 9.306 -1.222 1.00 0.00 C ATOM 463 O LEU A 30 0.100 9.927 -2.018 1.00 0.00 O ATOM 464 CB LEU A 30 0.898 6.820 -1.443 1.00 0.00 C ATOM 465 CG LEU A 30 -0.343 6.766 -2.335 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.081 6.777 -3.804 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.118 5.479 -2.043 1.00 0.00 C ATOM 0 H LEU A 30 3.060 7.251 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 30 1.868 8.264 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.551 5.975 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.608 6.736 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.974 7.631 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.804 6.738 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.639 7.689 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.711 5.911 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.004 5.436 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.483 4.617 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.420 5.466 -0.996 1.00 0.00 H new ATOM 479 N VAL A 31 0.755 9.607 0.044 1.00 0.00 N ATOM 480 CA VAL A 31 -0.102 10.731 0.521 1.00 0.00 C ATOM 481 C VAL A 31 0.405 12.068 -0.017 1.00 0.00 C ATOM 482 O VAL A 31 -0.372 12.934 -0.368 1.00 0.00 O ATOM 483 CB VAL A 31 -0.113 10.768 2.043 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.796 12.056 2.501 1.00 0.00 C ATOM 485 CG2 VAL A 31 -0.897 9.562 2.560 1.00 0.00 C ATOM 0 H VAL A 31 1.292 9.129 0.767 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.114 10.567 0.152 1.00 0.00 H new ATOM 0 HB VAL A 31 0.906 10.736 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.810 12.093 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.248 12.916 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.819 12.079 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.912 9.578 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.919 9.603 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.420 8.644 2.217 1.00 0.00 H new ATOM 495 N ASP A 32 1.691 12.254 -0.090 1.00 0.00 N ATOM 496 CA ASP A 32 2.211 13.548 -0.611 1.00 0.00 C ATOM 497 C ASP A 32 1.560 13.813 -1.965 1.00 0.00 C ATOM 498 O ASP A 32 1.292 14.940 -2.334 1.00 0.00 O ATOM 499 CB ASP A 32 3.730 13.472 -0.773 1.00 0.00 C ATOM 500 CG ASP A 32 4.391 13.433 0.607 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.684 13.614 1.584 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.591 13.226 0.662 1.00 0.00 O ATOM 0 H ASP A 32 2.400 11.574 0.185 1.00 0.00 H new ATOM 0 HA ASP A 32 1.976 14.354 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.001 12.583 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.090 14.333 -1.336 1.00 0.00 H new ATOM 507 N ASN A 33 1.296 12.773 -2.699 1.00 0.00 N ATOM 508 CA ASN A 33 0.652 12.932 -4.030 1.00 0.00 C ATOM 509 C ASN A 33 -0.809 13.352 -3.856 1.00 0.00 C ATOM 510 O ASN A 33 -1.353 14.086 -4.657 1.00 0.00 O ATOM 511 CB ASN A 33 0.700 11.595 -4.760 1.00 0.00 C ATOM 512 CG ASN A 33 2.133 11.303 -5.208 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.644 10.223 -4.985 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.808 12.228 -5.836 1.00 0.00 N ATOM 0 H ASN A 33 1.500 11.810 -2.432 1.00 0.00 H new ATOM 0 HA ASN A 33 1.180 13.696 -4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.344 10.799 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.036 11.618 -5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.764 12.044 -6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.379 13.134 -6.023 1.00 0.00 H new ATOM 521 N GLY A 34 -1.452 12.884 -2.823 1.00 0.00 N ATOM 522 CA GLY A 34 -2.882 13.242 -2.607 1.00 0.00 C ATOM 523 C GLY A 34 -3.761 12.192 -3.281 1.00 0.00 C ATOM 524 O GLY A 34 -4.969 12.309 -3.327 1.00 0.00 O ATOM 0 H GLY A 34 -1.048 12.268 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.102 13.290 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.090 14.229 -3.020 1.00 0.00 H new ATOM 528 N VAL A 35 -3.157 11.159 -3.798 1.00 0.00 N ATOM 529 CA VAL A 35 -3.945 10.087 -4.463 1.00 0.00 C ATOM 530 C VAL A 35 -4.912 9.484 -3.447 1.00 0.00 C ATOM 531 O VAL A 35 -5.984 9.025 -3.787 1.00 0.00 O ATOM 532 CB VAL A 35 -3.000 9.001 -4.978 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.815 7.816 -5.497 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.144 9.567 -6.113 1.00 0.00 C ATOM 0 H VAL A 35 -2.148 11.011 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.502 10.503 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.354 8.668 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.140 7.043 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.425 7.412 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.462 8.147 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.470 8.793 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.790 9.901 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.561 10.410 -5.743 1.00 0.00 H new ATOM 544 N ILE A 36 -4.536 9.479 -2.197 1.00 0.00 N ATOM 545 CA ILE A 36 -5.425 8.903 -1.155 1.00 0.00 C ATOM 546 C ILE A 36 -6.262 10.016 -0.524 1.00 0.00 C ATOM 547 O ILE A 36 -5.753 11.043 -0.121 1.00 0.00 O ATOM 548 CB ILE A 36 -4.573 8.236 -0.075 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.663 7.197 -0.722 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.477 7.540 0.933 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.617 6.730 0.293 1.00 0.00 C ATOM 0 H ILE A 36 -3.650 9.850 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.086 8.165 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.975 8.994 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.252 6.348 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.171 7.623 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.867 7.065 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.138 8.273 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.074 6.783 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.967 5.987 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.020 7.582 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.118 6.287 1.154 1.00 0.00 H new ATOM 563 N ASP A 37 -7.544 9.812 -0.437 1.00 0.00 N ATOM 564 CA ASP A 37 -8.434 10.843 0.165 1.00 0.00 C ATOM 565 C ASP A 37 -9.456 10.146 1.066 1.00 0.00 C ATOM 566 O ASP A 37 -9.289 9.000 1.434 1.00 0.00 O ATOM 567 CB ASP A 37 -9.161 11.601 -0.948 1.00 0.00 C ATOM 568 CG ASP A 37 -9.842 12.841 -0.365 1.00 0.00 C ATOM 569 OD1 ASP A 37 -9.637 13.109 0.807 1.00 0.00 O ATOM 570 OD2 ASP A 37 -10.558 13.500 -1.100 1.00 0.00 O ATOM 0 H ASP A 37 -8.019 8.969 -0.759 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.845 11.548 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.454 11.893 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.902 10.954 -1.418 1.00 0.00 H new ATOM 575 N ALA A 38 -10.513 10.819 1.425 1.00 0.00 N ATOM 576 CA ALA A 38 -11.535 10.177 2.300 1.00 0.00 C ATOM 577 C ALA A 38 -12.148 8.999 1.551 1.00 0.00 C ATOM 578 O ALA A 38 -12.132 7.875 2.013 1.00 0.00 O ATOM 579 CB ALA A 38 -12.627 11.191 2.645 1.00 0.00 C ATOM 0 H ALA A 38 -10.714 11.781 1.152 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.069 9.830 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.373 10.719 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.184 12.039 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.103 11.539 1.728 1.00 0.00 H new ATOM 585 N LEU A 39 -12.658 9.242 0.378 1.00 0.00 N ATOM 586 CA LEU A 39 -13.235 8.136 -0.423 1.00 0.00 C ATOM 587 C LEU A 39 -12.078 7.276 -0.907 1.00 0.00 C ATOM 588 O LEU A 39 -12.181 6.072 -1.024 1.00 0.00 O ATOM 589 CB LEU A 39 -13.997 8.703 -1.620 1.00 0.00 C ATOM 590 CG LEU A 39 -15.261 9.411 -1.136 1.00 0.00 C ATOM 591 CD1 LEU A 39 -14.886 10.694 -0.388 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.139 9.763 -2.339 1.00 0.00 C ATOM 0 H LEU A 39 -12.699 10.162 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.930 7.547 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.365 9.401 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.259 7.901 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.807 8.750 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.792 11.194 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.262 10.445 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.336 11.357 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.042 10.268 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.588 10.421 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.413 8.851 -2.869 1.00 0.00 H new ATOM 604 N GLY A 40 -10.966 7.902 -1.179 1.00 0.00 N ATOM 605 CA GLY A 40 -9.779 7.149 -1.648 1.00 0.00 C ATOM 606 C GLY A 40 -9.390 6.124 -0.588 1.00 0.00 C ATOM 607 O GLY A 40 -9.133 4.973 -0.882 1.00 0.00 O ATOM 0 H GLY A 40 -10.832 8.910 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.999 6.650 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.950 7.831 -1.834 1.00 0.00 H new ATOM 611 N LEU A 41 -9.360 6.533 0.649 1.00 0.00 N ATOM 612 CA LEU A 41 -9.006 5.591 1.737 1.00 0.00 C ATOM 613 C LEU A 41 -10.068 4.496 1.815 1.00 0.00 C ATOM 614 O LEU A 41 -9.771 3.337 2.015 1.00 0.00 O ATOM 615 CB LEU A 41 -8.952 6.360 3.058 1.00 0.00 C ATOM 616 CG LEU A 41 -8.484 5.434 4.178 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.552 6.205 5.111 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.698 4.940 4.966 1.00 0.00 C ATOM 0 H LEU A 41 -9.567 7.485 0.951 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.035 5.136 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.273 7.208 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.937 6.763 3.295 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.954 4.581 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.215 5.548 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.690 6.564 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.086 7.054 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.367 4.278 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.225 5.792 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.368 4.397 4.300 1.00 0.00 H new ATOM 630 N LEU A 42 -11.310 4.862 1.653 1.00 0.00 N ATOM 631 CA LEU A 42 -12.399 3.848 1.714 1.00 0.00 C ATOM 632 C LEU A 42 -12.176 2.800 0.624 1.00 0.00 C ATOM 633 O LEU A 42 -12.275 1.612 0.858 1.00 0.00 O ATOM 634 CB LEU A 42 -13.739 4.551 1.471 1.00 0.00 C ATOM 635 CG LEU A 42 -14.884 3.537 1.510 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.517 3.528 2.902 1.00 0.00 C ATOM 637 CD2 LEU A 42 -15.935 3.922 0.468 1.00 0.00 C ATOM 0 H LEU A 42 -11.617 5.819 1.481 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.402 3.363 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.898 5.319 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.723 5.055 0.505 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.498 2.542 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.332 2.805 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.765 3.253 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.905 4.520 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.753 3.202 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.321 4.917 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.482 3.922 -0.523 1.00 0.00 H new ATOM 649 N LYS A 43 -11.880 3.234 -0.561 1.00 0.00 N ATOM 650 CA LYS A 43 -11.652 2.271 -1.669 1.00 0.00 C ATOM 651 C LYS A 43 -10.488 1.347 -1.307 1.00 0.00 C ATOM 652 O LYS A 43 -10.491 0.172 -1.617 1.00 0.00 O ATOM 653 CB LYS A 43 -11.314 3.035 -2.947 1.00 0.00 C ATOM 654 CG LYS A 43 -12.530 3.842 -3.407 1.00 0.00 C ATOM 655 CD LYS A 43 -12.219 4.517 -4.745 1.00 0.00 C ATOM 656 CE LYS A 43 -13.386 5.420 -5.146 1.00 0.00 C ATOM 657 NZ LYS A 43 -12.930 6.839 -5.170 1.00 0.00 N ATOM 0 H LYS A 43 -11.785 4.218 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.553 1.679 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.470 3.701 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.012 2.338 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.396 3.188 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.785 4.593 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.303 5.103 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.048 3.763 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.763 5.131 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.209 5.303 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.723 7.454 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.590 7.110 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.158 6.944 -5.859 1.00 0.00 H new ATOM 671 N VAL A 44 -9.491 1.877 -0.655 1.00 0.00 N ATOM 672 CA VAL A 44 -8.315 1.048 -0.270 1.00 0.00 C ATOM 673 C VAL A 44 -8.735 -0.034 0.727 1.00 0.00 C ATOM 674 O VAL A 44 -8.292 -1.161 0.657 1.00 0.00 O ATOM 675 CB VAL A 44 -7.255 1.946 0.368 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.099 1.087 0.881 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.728 2.929 -0.681 1.00 0.00 C ATOM 0 H VAL A 44 -9.440 2.855 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.908 0.568 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.696 2.496 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.344 1.728 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.472 0.382 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.657 0.538 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.972 3.571 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.286 2.375 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.550 3.541 -1.051 1.00 0.00 H new ATOM 687 N ILE A 45 -9.566 0.302 1.666 1.00 0.00 N ATOM 688 CA ILE A 45 -9.989 -0.701 2.678 1.00 0.00 C ATOM 689 C ILE A 45 -10.792 -1.838 2.031 1.00 0.00 C ATOM 690 O ILE A 45 -10.530 -3.001 2.264 1.00 0.00 O ATOM 691 CB ILE A 45 -10.852 0.000 3.732 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.969 0.434 4.902 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.937 -0.952 4.241 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.772 1.230 4.379 1.00 0.00 C ATOM 0 H ILE A 45 -9.973 1.231 1.778 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.101 -1.135 3.137 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.326 0.873 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.546 1.042 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.623 -0.441 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.545 -0.444 4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.570 -1.261 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.470 -1.830 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.145 1.537 5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.190 0.607 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.127 2.113 3.848 1.00 0.00 H new ATOM 706 N ALA A 46 -11.791 -1.515 1.259 1.00 0.00 N ATOM 707 CA ALA A 46 -12.644 -2.580 0.645 1.00 0.00 C ATOM 708 C ALA A 46 -11.893 -3.416 -0.400 1.00 0.00 C ATOM 709 O ALA A 46 -11.955 -4.630 -0.385 1.00 0.00 O ATOM 710 CB ALA A 46 -13.842 -1.919 -0.031 1.00 0.00 C ATOM 0 H ALA A 46 -12.057 -0.559 1.024 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.952 -3.253 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.473 -2.684 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.418 -1.365 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.492 -1.235 -0.804 1.00 0.00 H new ATOM 716 N TRP A 47 -11.221 -2.797 -1.330 1.00 0.00 N ATOM 717 CA TRP A 47 -10.527 -3.597 -2.383 1.00 0.00 C ATOM 718 C TRP A 47 -9.264 -4.260 -1.836 1.00 0.00 C ATOM 719 O TRP A 47 -9.039 -5.436 -2.047 1.00 0.00 O ATOM 720 CB TRP A 47 -10.163 -2.697 -3.565 1.00 0.00 C ATOM 721 CG TRP A 47 -8.729 -2.911 -3.934 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.196 -4.066 -4.397 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.641 -1.955 -3.876 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.843 -3.877 -4.613 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.454 -2.586 -4.307 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.577 -0.612 -3.489 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.239 -1.902 -4.349 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.360 0.085 -3.529 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.191 -0.560 -3.957 1.00 0.00 C ATOM 0 H TRP A 47 -11.121 -1.785 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.209 -4.381 -2.713 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.806 -2.920 -4.417 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.330 -1.652 -3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.738 -4.984 -4.569 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.211 -4.600 -4.956 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.472 -0.107 -3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.343 -2.404 -4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.324 1.122 -3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.255 -0.022 -3.984 1.00 0.00 H new ATOM 740 N LEU A 48 -8.423 -3.531 -1.162 1.00 0.00 N ATOM 741 CA LEU A 48 -7.173 -4.158 -0.651 1.00 0.00 C ATOM 742 C LEU A 48 -7.533 -5.329 0.275 1.00 0.00 C ATOM 743 O LEU A 48 -6.953 -6.394 0.192 1.00 0.00 O ATOM 744 CB LEU A 48 -6.348 -3.114 0.109 1.00 0.00 C ATOM 745 CG LEU A 48 -4.857 -3.462 0.030 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.635 -4.908 0.469 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.373 -3.291 -1.411 1.00 0.00 C ATOM 0 H LEU A 48 -8.542 -2.542 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.581 -4.533 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.521 -2.124 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.666 -3.076 1.151 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.299 -2.797 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.573 -5.147 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.979 -5.033 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.195 -5.577 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.313 -3.538 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.937 -3.955 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.523 -2.258 -1.725 1.00 0.00 H new ATOM 759 N GLU A 49 -8.483 -5.153 1.156 1.00 0.00 N ATOM 760 CA GLU A 49 -8.859 -6.262 2.070 1.00 0.00 C ATOM 761 C GLU A 49 -9.428 -7.433 1.260 1.00 0.00 C ATOM 762 O GLU A 49 -9.181 -8.584 1.559 1.00 0.00 O ATOM 763 CB GLU A 49 -9.926 -5.761 3.042 1.00 0.00 C ATOM 764 CG GLU A 49 -9.305 -4.794 4.051 1.00 0.00 C ATOM 765 CD GLU A 49 -8.085 -4.103 3.445 1.00 0.00 C ATOM 766 OE1 GLU A 49 -8.276 -3.158 2.703 1.00 0.00 O ATOM 767 OE2 GLU A 49 -6.981 -4.532 3.733 1.00 0.00 O ATOM 0 H GLU A 49 -9.012 -4.289 1.279 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.978 -6.597 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.724 -5.262 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.377 -6.604 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.042 -4.049 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.014 -5.335 4.952 1.00 0.00 H new ATOM 774 N ASP A 50 -10.195 -7.146 0.243 1.00 0.00 N ATOM 775 CA ASP A 50 -10.790 -8.240 -0.580 1.00 0.00 C ATOM 776 C ASP A 50 -9.688 -9.077 -1.238 1.00 0.00 C ATOM 777 O ASP A 50 -9.808 -10.277 -1.379 1.00 0.00 O ATOM 778 CB ASP A 50 -11.677 -7.631 -1.664 1.00 0.00 C ATOM 779 CG ASP A 50 -12.467 -8.739 -2.362 1.00 0.00 C ATOM 780 OD1 ASP A 50 -12.377 -9.873 -1.920 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.149 -8.436 -3.327 1.00 0.00 O ATOM 0 H ASP A 50 -10.436 -6.201 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.382 -8.886 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.361 -6.905 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.066 -7.094 -2.389 1.00 0.00 H new ATOM 786 N ARG A 51 -8.625 -8.453 -1.660 1.00 0.00 N ATOM 787 CA ARG A 51 -7.527 -9.206 -2.328 1.00 0.00 C ATOM 788 C ARG A 51 -6.975 -10.302 -1.412 1.00 0.00 C ATOM 789 O ARG A 51 -6.605 -11.366 -1.867 1.00 0.00 O ATOM 790 CB ARG A 51 -6.405 -8.238 -2.688 1.00 0.00 C ATOM 791 CG ARG A 51 -6.873 -7.287 -3.793 1.00 0.00 C ATOM 792 CD ARG A 51 -7.077 -8.067 -5.096 1.00 0.00 C ATOM 793 NE ARG A 51 -6.842 -7.167 -6.260 1.00 0.00 N ATOM 794 CZ ARG A 51 -6.575 -7.675 -7.433 1.00 0.00 C ATOM 795 NH1 ARG A 51 -6.525 -8.970 -7.585 1.00 0.00 N ATOM 796 NH2 ARG A 51 -6.357 -6.890 -8.452 1.00 0.00 N ATOM 0 H ARG A 51 -8.468 -7.449 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.925 -9.677 -3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.108 -7.668 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.527 -8.792 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.804 -6.803 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.136 -6.498 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.393 -8.915 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.088 -8.472 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.890 -6.155 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.694 -9.584 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.317 -9.368 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.395 -5.878 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.149 -7.289 -9.367 1.00 0.00 H new ATOM 810 N PHE A 52 -6.896 -10.059 -0.132 1.00 0.00 N ATOM 811 CA PHE A 52 -6.346 -11.098 0.779 1.00 0.00 C ATOM 812 C PHE A 52 -7.479 -11.909 1.412 1.00 0.00 C ATOM 813 O PHE A 52 -7.243 -12.882 2.099 1.00 0.00 O ATOM 814 CB PHE A 52 -5.516 -10.414 1.864 1.00 0.00 C ATOM 815 CG PHE A 52 -4.259 -9.857 1.239 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.250 -8.558 0.719 1.00 0.00 C ATOM 817 CD2 PHE A 52 -3.104 -10.646 1.173 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.086 -8.046 0.132 1.00 0.00 C ATOM 819 CE2 PHE A 52 -1.940 -10.135 0.585 1.00 0.00 C ATOM 820 CZ PHE A 52 -1.931 -8.835 0.065 1.00 0.00 C ATOM 0 H PHE A 52 -7.187 -9.191 0.318 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.716 -11.783 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.091 -9.614 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.263 -11.126 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.141 -7.950 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.111 -11.648 1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.079 -7.043 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.049 -10.744 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.033 -8.441 -0.388 1.00 0.00 H new ATOM 830 N GLY A 53 -8.704 -11.525 1.187 1.00 0.00 N ATOM 831 CA GLY A 53 -9.837 -12.287 1.778 1.00 0.00 C ATOM 832 C GLY A 53 -9.895 -11.997 3.274 1.00 0.00 C ATOM 833 O GLY A 53 -10.298 -12.829 4.063 1.00 0.00 O ATOM 0 H GLY A 53 -8.969 -10.719 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.774 -12.001 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.705 -13.355 1.605 1.00 0.00 H new ATOM 837 N ILE A 54 -9.484 -10.823 3.665 1.00 0.00 N ATOM 838 CA ILE A 54 -9.497 -10.468 5.107 1.00 0.00 C ATOM 839 C ILE A 54 -10.530 -9.369 5.358 1.00 0.00 C ATOM 840 O ILE A 54 -10.857 -8.603 4.477 1.00 0.00 O ATOM 841 CB ILE A 54 -8.108 -9.970 5.502 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.782 -8.702 4.710 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.069 -11.048 5.190 1.00 0.00 C ATOM 844 CD1 ILE A 54 -6.361 -8.250 5.038 1.00 0.00 C ATOM 0 H ILE A 54 -9.138 -10.092 3.043 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.760 -11.343 5.702 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.090 -9.750 6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.877 -8.893 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.492 -7.913 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.078 -10.691 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.303 -11.952 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.084 -11.270 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.127 -7.347 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.282 -8.042 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.657 -9.038 4.769 1.00 0.00 H new ATOM 856 N ALA A 55 -11.053 -9.291 6.550 1.00 0.00 N ATOM 857 CA ALA A 55 -12.067 -8.240 6.848 1.00 0.00 C ATOM 858 C ALA A 55 -11.370 -7.016 7.446 1.00 0.00 C ATOM 859 O ALA A 55 -10.590 -7.124 8.372 1.00 0.00 O ATOM 860 CB ALA A 55 -13.089 -8.786 7.848 1.00 0.00 C ATOM 0 H ALA A 55 -10.823 -9.908 7.329 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.577 -7.955 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.831 -8.018 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.585 -9.658 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.580 -9.071 8.769 1.00 0.00 H new ATOM 866 N ALA A 56 -11.645 -5.851 6.926 1.00 0.00 N ATOM 867 CA ALA A 56 -10.998 -4.622 7.466 1.00 0.00 C ATOM 868 C ALA A 56 -11.447 -4.400 8.912 1.00 0.00 C ATOM 869 O ALA A 56 -10.712 -3.886 9.730 1.00 0.00 O ATOM 870 CB ALA A 56 -11.405 -3.417 6.615 1.00 0.00 C ATOM 0 H ALA A 56 -12.290 -5.697 6.151 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.915 -4.739 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.932 -2.517 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.085 -3.574 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.488 -3.300 6.644 1.00 0.00 H new ATOM 876 N ASP A 57 -12.653 -4.782 9.228 1.00 0.00 N ATOM 877 CA ASP A 57 -13.161 -4.595 10.615 1.00 0.00 C ATOM 878 C ASP A 57 -12.248 -5.316 11.610 1.00 0.00 C ATOM 879 O ASP A 57 -12.051 -4.869 12.722 1.00 0.00 O ATOM 880 CB ASP A 57 -14.572 -5.167 10.712 1.00 0.00 C ATOM 881 CG ASP A 57 -15.527 -4.316 9.871 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.125 -3.242 9.458 1.00 0.00 O ATOM 883 OD2 ASP A 57 -16.645 -4.756 9.655 1.00 0.00 O ATOM 0 H ASP A 57 -13.311 -5.218 8.582 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.175 -3.532 10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.582 -6.199 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.900 -5.181 11.751 1.00 0.00 H new ATOM 888 N ASP A 58 -11.698 -6.433 11.222 1.00 0.00 N ATOM 889 CA ASP A 58 -10.808 -7.187 12.152 1.00 0.00 C ATOM 890 C ASP A 58 -9.706 -6.267 12.680 1.00 0.00 C ATOM 891 O ASP A 58 -9.321 -6.345 13.830 1.00 0.00 O ATOM 892 CB ASP A 58 -10.176 -8.362 11.408 1.00 0.00 C ATOM 893 CG ASP A 58 -11.257 -9.391 11.065 1.00 0.00 C ATOM 894 OD1 ASP A 58 -12.353 -9.265 11.584 1.00 0.00 O ATOM 895 OD2 ASP A 58 -10.967 -10.287 10.289 1.00 0.00 O ATOM 0 H ASP A 58 -11.825 -6.857 10.303 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.397 -7.557 12.991 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.691 -8.011 10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.403 -8.822 12.023 1.00 0.00 H new ATOM 900 N VAL A 59 -9.195 -5.398 11.853 1.00 0.00 N ATOM 901 CA VAL A 59 -8.116 -4.474 12.312 1.00 0.00 C ATOM 902 C VAL A 59 -8.431 -3.049 11.851 1.00 0.00 C ATOM 903 O VAL A 59 -8.936 -2.835 10.768 1.00 0.00 O ATOM 904 CB VAL A 59 -6.779 -4.918 11.717 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.821 -4.768 10.196 1.00 0.00 C ATOM 906 CG2 VAL A 59 -5.656 -4.046 12.283 1.00 0.00 C ATOM 0 H VAL A 59 -9.477 -5.286 10.879 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.057 -4.498 13.400 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.596 -5.961 11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.868 -5.085 9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.621 -5.387 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.004 -3.725 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.702 -4.361 11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.840 -3.003 12.025 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.625 -4.152 13.367 1.00 0.00 H new ATOM 916 N GLU A 60 -8.133 -2.071 12.664 1.00 0.00 N ATOM 917 CA GLU A 60 -8.413 -0.664 12.265 1.00 0.00 C ATOM 918 C GLU A 60 -7.121 -0.012 11.768 1.00 0.00 C ATOM 919 O GLU A 60 -6.100 -0.053 12.425 1.00 0.00 O ATOM 920 CB GLU A 60 -8.945 0.113 13.471 1.00 0.00 C ATOM 921 CG GLU A 60 -9.372 1.509 13.033 1.00 0.00 C ATOM 922 CD GLU A 60 -9.806 2.319 14.255 1.00 0.00 C ATOM 923 OE1 GLU A 60 -9.731 1.789 15.351 1.00 0.00 O ATOM 924 OE2 GLU A 60 -10.205 3.458 14.074 1.00 0.00 O ATOM 0 H GLU A 60 -7.709 -2.186 13.584 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.158 -0.652 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.790 -0.415 13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.176 0.182 14.240 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.548 2.010 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.192 1.442 12.318 1.00 0.00 H new ATOM 931 N LEU A 61 -7.158 0.586 10.609 1.00 0.00 N ATOM 932 CA LEU A 61 -5.942 1.235 10.060 1.00 0.00 C ATOM 933 C LEU A 61 -6.072 2.756 10.175 1.00 0.00 C ATOM 934 O LEU A 61 -7.139 3.309 9.998 1.00 0.00 O ATOM 935 CB LEU A 61 -5.802 0.851 8.589 1.00 0.00 C ATOM 936 CG LEU A 61 -5.813 -0.669 8.452 1.00 0.00 C ATOM 937 CD1 LEU A 61 -5.561 -1.052 6.992 1.00 0.00 C ATOM 938 CD2 LEU A 61 -4.715 -1.269 9.331 1.00 0.00 C ATOM 0 H LEU A 61 -7.986 0.651 10.017 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.066 0.907 10.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.618 1.284 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.875 1.256 8.184 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.783 -1.054 8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.569 -2.138 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.343 -0.625 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.591 -0.666 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.723 -2.355 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.745 -0.883 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.893 -0.997 10.372 1.00 0.00 H new ATOM 950 N SER A 62 -4.995 3.439 10.453 1.00 0.00 N ATOM 951 CA SER A 62 -5.065 4.917 10.556 1.00 0.00 C ATOM 952 C SER A 62 -4.615 5.515 9.222 1.00 0.00 C ATOM 953 O SER A 62 -3.827 4.925 8.513 1.00 0.00 O ATOM 954 CB SER A 62 -4.141 5.400 11.675 1.00 0.00 C ATOM 955 OG SER A 62 -3.262 6.392 11.163 1.00 0.00 O ATOM 0 H SER A 62 -4.072 3.034 10.612 1.00 0.00 H new ATOM 0 HA SER A 62 -6.084 5.229 10.782 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.729 5.808 12.497 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.569 4.563 12.077 1.00 0.00 H new ATOM 0 HG SER A 62 -3.665 7.278 11.280 1.00 0.00 H new ATOM 961 N PRO A 63 -5.110 6.672 8.877 1.00 0.00 N ATOM 962 CA PRO A 63 -4.753 7.342 7.595 1.00 0.00 C ATOM 963 C PRO A 63 -3.238 7.523 7.443 1.00 0.00 C ATOM 964 O PRO A 63 -2.725 7.651 6.349 1.00 0.00 O ATOM 965 CB PRO A 63 -5.450 8.708 7.669 1.00 0.00 C ATOM 966 CG PRO A 63 -5.893 8.873 9.088 1.00 0.00 C ATOM 967 CD PRO A 63 -6.054 7.471 9.663 1.00 0.00 C ATOM 0 HA PRO A 63 -5.066 6.749 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.770 9.508 7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.300 8.749 6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.160 9.443 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.833 9.422 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.816 7.443 10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.076 7.107 9.555 1.00 0.00 H new ATOM 975 N GLU A 64 -2.523 7.536 8.533 1.00 0.00 N ATOM 976 CA GLU A 64 -1.049 7.710 8.465 1.00 0.00 C ATOM 977 C GLU A 64 -0.407 6.448 7.910 1.00 0.00 C ATOM 978 O GLU A 64 0.628 6.495 7.282 1.00 0.00 O ATOM 979 CB GLU A 64 -0.512 7.980 9.867 1.00 0.00 C ATOM 980 CG GLU A 64 -1.173 9.231 10.432 1.00 0.00 C ATOM 981 CD GLU A 64 -0.556 9.566 11.792 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.200 8.752 12.294 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.851 10.632 12.307 1.00 0.00 O ATOM 0 H GLU A 64 -2.901 7.433 9.475 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.812 8.549 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.711 7.126 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.570 8.110 9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.040 10.067 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.246 9.072 10.537 1.00 0.00 H new ATOM 990 N HIS A 65 -1.003 5.316 8.138 1.00 0.00 N ATOM 991 CA HIS A 65 -0.403 4.063 7.619 1.00 0.00 C ATOM 992 C HIS A 65 -0.441 4.083 6.096 1.00 0.00 C ATOM 993 O HIS A 65 0.297 3.381 5.435 1.00 0.00 O ATOM 994 CB HIS A 65 -1.185 2.851 8.120 1.00 0.00 C ATOM 995 CG HIS A 65 -0.577 1.617 7.532 1.00 0.00 C ATOM 996 ND1 HIS A 65 0.770 1.319 7.677 1.00 0.00 N ATOM 997 CD2 HIS A 65 -1.108 0.603 6.778 1.00 0.00 C ATOM 998 CE1 HIS A 65 1.001 0.170 7.023 1.00 0.00 C ATOM 999 NE2 HIS A 65 -0.110 -0.306 6.460 1.00 0.00 N ATOM 0 H HIS A 65 -1.874 5.204 8.658 1.00 0.00 H new ATOM 0 HA HIS A 65 0.626 3.993 7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.156 2.805 9.209 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.233 2.931 7.832 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.459 1.872 8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.143 0.524 6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.967 -0.309 6.961 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.303 4.878 5.534 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.397 4.940 4.055 1.00 0.00 C ATOM 1010 C PHE A 66 -0.391 5.960 3.530 1.00 0.00 C ATOM 1011 O PHE A 66 -0.438 6.374 2.389 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.814 5.348 3.655 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.805 4.391 4.273 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.092 4.469 5.640 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.432 3.422 3.481 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.008 3.582 6.215 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.349 2.536 4.057 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.636 2.617 5.423 1.00 0.00 C ATOM 0 H PHE A 66 -1.947 5.488 6.037 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.173 3.963 3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.019 6.366 3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.913 5.341 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.606 5.215 6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.208 3.358 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.230 3.643 7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.835 1.790 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.344 1.933 5.867 1.00 0.00 H new ATOM 1028 N ARG A 67 0.523 6.361 4.365 1.00 0.00 N ATOM 1029 CA ARG A 67 1.550 7.349 3.951 1.00 0.00 C ATOM 1030 C ARG A 67 2.246 6.879 2.668 1.00 0.00 C ATOM 1031 O ARG A 67 2.623 7.677 1.833 1.00 0.00 O ATOM 1032 CB ARG A 67 2.570 7.476 5.080 1.00 0.00 C ATOM 1033 CG ARG A 67 3.310 6.147 5.249 1.00 0.00 C ATOM 1034 CD ARG A 67 3.509 5.855 6.736 1.00 0.00 C ATOM 1035 NE ARG A 67 4.662 4.929 6.917 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.177 4.758 8.103 1.00 0.00 C ATOM 1037 NH1 ARG A 67 4.686 5.404 9.126 1.00 0.00 N ATOM 1038 NH2 ARG A 67 6.182 3.942 8.268 1.00 0.00 N ATOM 0 H ARG A 67 0.602 6.041 5.330 1.00 0.00 H new ATOM 0 HA ARG A 67 1.083 8.314 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.279 8.274 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.068 7.746 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.742 5.342 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.275 6.190 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.688 6.784 7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.605 5.411 7.153 1.00 0.00 H new ATOM 0 HE ARG A 67 5.048 4.430 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.900 6.042 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.088 5.271 10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.566 3.437 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.584 3.809 9.196 1.00 0.00 H new ATOM 1052 N SER A 68 2.425 5.595 2.503 1.00 0.00 N ATOM 1053 CA SER A 68 3.102 5.098 1.272 1.00 0.00 C ATOM 1054 C SER A 68 2.575 3.705 0.907 1.00 0.00 C ATOM 1055 O SER A 68 2.160 2.942 1.755 1.00 0.00 O ATOM 1056 CB SER A 68 4.610 5.028 1.514 1.00 0.00 C ATOM 1057 OG SER A 68 5.262 4.648 0.309 1.00 0.00 O ATOM 0 H SER A 68 2.134 4.874 3.163 1.00 0.00 H new ATOM 0 HA SER A 68 2.894 5.782 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.981 5.996 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.830 4.309 2.303 1.00 0.00 H new ATOM 0 HG SER A 68 5.318 5.421 -0.291 1.00 0.00 H new ATOM 1063 N ILE A 69 2.590 3.377 -0.357 1.00 0.00 N ATOM 1064 CA ILE A 69 2.095 2.047 -0.803 1.00 0.00 C ATOM 1065 C ILE A 69 2.918 0.938 -0.145 1.00 0.00 C ATOM 1066 O ILE A 69 2.402 -0.093 0.238 1.00 0.00 O ATOM 1067 CB ILE A 69 2.258 1.943 -2.318 1.00 0.00 C ATOM 1068 CG1 ILE A 69 1.859 3.267 -2.965 1.00 0.00 C ATOM 1069 CG2 ILE A 69 1.362 0.832 -2.850 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.119 4.078 -3.281 1.00 0.00 C ATOM 0 H ILE A 69 2.928 3.982 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 69 1.047 1.939 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 69 3.298 1.719 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.293 3.082 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.209 3.830 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.478 0.757 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.643 -0.115 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.323 1.057 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.836 5.024 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.666 4.274 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.752 3.514 -3.966 1.00 0.00 H new ATOM 1082 N ARG A 70 4.199 1.143 -0.026 1.00 0.00 N ATOM 1083 CA ARG A 70 5.076 0.108 0.587 1.00 0.00 C ATOM 1084 C ARG A 70 4.605 -0.213 2.007 1.00 0.00 C ATOM 1085 O ARG A 70 4.598 -1.354 2.424 1.00 0.00 O ATOM 1086 CB ARG A 70 6.509 0.642 0.634 1.00 0.00 C ATOM 1087 CG ARG A 70 6.522 1.963 1.406 1.00 0.00 C ATOM 1088 CD ARG A 70 7.798 2.747 1.084 1.00 0.00 C ATOM 1089 NE ARG A 70 8.958 2.108 1.764 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.058 2.786 1.955 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.139 4.025 1.553 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.075 2.225 2.551 1.00 0.00 N ATOM 0 H ARG A 70 4.680 1.990 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 70 5.033 -0.803 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.165 -0.083 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.888 0.793 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.646 2.555 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.466 1.768 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.962 2.769 0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.695 3.781 1.412 1.00 0.00 H new ATOM 0 HE ARG A 70 8.894 1.141 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.343 4.464 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.998 4.554 1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.011 1.257 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.934 2.754 2.700 1.00 0.00 H new ATOM 1106 N SER A 71 4.224 0.781 2.756 1.00 0.00 N ATOM 1107 CA SER A 71 3.768 0.525 4.150 1.00 0.00 C ATOM 1108 C SER A 71 2.482 -0.308 4.142 1.00 0.00 C ATOM 1109 O SER A 71 2.324 -1.226 4.921 1.00 0.00 O ATOM 1110 CB SER A 71 3.500 1.863 4.836 1.00 0.00 C ATOM 1111 OG SER A 71 2.310 2.433 4.304 1.00 0.00 O ATOM 0 H SER A 71 4.208 1.758 2.465 1.00 0.00 H new ATOM 0 HA SER A 71 4.541 -0.025 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.399 1.720 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.341 2.539 4.682 1.00 0.00 H new ATOM 0 HG SER A 71 1.728 2.720 5.038 1.00 0.00 H new ATOM 1117 N ILE A 72 1.560 0.007 3.275 1.00 0.00 N ATOM 1118 CA ILE A 72 0.287 -0.757 3.230 1.00 0.00 C ATOM 1119 C ILE A 72 0.557 -2.222 2.897 1.00 0.00 C ATOM 1120 O ILE A 72 0.045 -3.119 3.535 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.616 -0.145 2.164 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.876 1.323 2.505 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.938 -0.901 2.126 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.729 1.960 1.407 1.00 0.00 C ATOM 0 H ILE A 72 1.636 0.763 2.595 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.199 -0.708 4.205 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.132 -0.213 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.385 1.399 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.069 1.857 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.585 -0.465 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.752 -1.948 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.425 -0.832 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.914 3.006 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.203 1.897 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.679 1.432 1.332 1.00 0.00 H new ATOM 1136 N ASP A 73 1.353 -2.474 1.901 1.00 0.00 N ATOM 1137 CA ASP A 73 1.650 -3.881 1.524 1.00 0.00 C ATOM 1138 C ASP A 73 2.315 -4.603 2.697 1.00 0.00 C ATOM 1139 O ASP A 73 2.082 -5.772 2.935 1.00 0.00 O ATOM 1140 CB ASP A 73 2.599 -3.889 0.327 1.00 0.00 C ATOM 1141 CG ASP A 73 2.593 -5.272 -0.325 1.00 0.00 C ATOM 1142 OD1 ASP A 73 1.839 -6.117 0.127 1.00 0.00 O ATOM 1143 OD2 ASP A 73 3.342 -5.462 -1.269 1.00 0.00 O ATOM 0 H ASP A 73 1.813 -1.765 1.329 1.00 0.00 H new ATOM 0 HA ASP A 73 0.721 -4.390 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.293 -3.134 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.608 -3.632 0.649 1.00 0.00 H new ATOM 1148 N ALA A 74 3.158 -3.921 3.421 1.00 0.00 N ATOM 1149 CA ALA A 74 3.857 -4.569 4.563 1.00 0.00 C ATOM 1150 C ALA A 74 2.868 -4.905 5.678 1.00 0.00 C ATOM 1151 O ALA A 74 2.875 -5.995 6.214 1.00 0.00 O ATOM 1152 CB ALA A 74 4.930 -3.620 5.092 1.00 0.00 C ATOM 0 H ALA A 74 3.393 -2.940 3.270 1.00 0.00 H new ATOM 0 HA ALA A 74 4.316 -5.497 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.448 -4.087 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.646 -3.402 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.464 -2.693 5.425 1.00 0.00 H new ATOM 1158 N PHE A 75 2.021 -3.984 6.038 1.00 0.00 N ATOM 1159 CA PHE A 75 1.046 -4.272 7.125 1.00 0.00 C ATOM 1160 C PHE A 75 0.080 -5.354 6.658 1.00 0.00 C ATOM 1161 O PHE A 75 -0.221 -6.286 7.378 1.00 0.00 O ATOM 1162 CB PHE A 75 0.278 -3.006 7.481 1.00 0.00 C ATOM 1163 CG PHE A 75 -0.595 -3.274 8.683 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -0.091 -3.071 9.973 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -1.908 -3.729 8.508 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -0.898 -3.322 11.088 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -2.715 -3.980 9.624 1.00 0.00 C ATOM 1168 CZ PHE A 75 -2.210 -3.777 10.914 1.00 0.00 C ATOM 0 H PHE A 75 1.961 -3.051 5.631 1.00 0.00 H new ATOM 0 HA PHE A 75 1.579 -4.619 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.972 -2.194 7.695 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.334 -2.688 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.922 -2.720 10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.298 -3.886 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.508 -3.165 12.083 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.728 -4.330 9.490 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.833 -3.971 11.775 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.406 -5.244 5.454 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.344 -6.272 4.941 1.00 0.00 C ATOM 1180 C VAL A 76 -0.641 -7.630 4.926 1.00 0.00 C ATOM 1181 O VAL A 76 -1.189 -8.627 5.356 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.770 -5.898 3.525 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.523 -7.068 2.906 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.683 -4.671 3.571 1.00 0.00 C ATOM 0 H VAL A 76 -0.193 -4.486 4.805 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.224 -6.326 5.582 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.889 -5.668 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.831 -6.808 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.874 -7.943 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.404 -7.292 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.986 -4.405 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.567 -4.897 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.147 -3.835 4.020 1.00 0.00 H new ATOM 1194 N VAL A 77 0.574 -7.678 4.448 1.00 0.00 N ATOM 1195 CA VAL A 77 1.310 -8.966 4.422 1.00 0.00 C ATOM 1196 C VAL A 77 1.646 -9.376 5.856 1.00 0.00 C ATOM 1197 O VAL A 77 1.548 -10.529 6.228 1.00 0.00 O ATOM 1198 CB VAL A 77 2.598 -8.787 3.623 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.477 -10.019 3.797 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.257 -8.609 2.141 1.00 0.00 C ATOM 0 H VAL A 77 1.085 -6.878 4.075 1.00 0.00 H new ATOM 0 HA VAL A 77 0.698 -9.739 3.957 1.00 0.00 H new ATOM 0 HB VAL A 77 3.131 -7.906 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.397 -9.893 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.718 -10.148 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.945 -10.899 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.176 -8.481 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.726 -9.490 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.626 -7.729 2.016 1.00 0.00 H new ATOM 1210 N GLY A 78 2.046 -8.431 6.663 1.00 0.00 N ATOM 1211 CA GLY A 78 2.394 -8.744 8.077 1.00 0.00 C ATOM 1212 C GLY A 78 1.180 -9.335 8.797 1.00 0.00 C ATOM 1213 O GLY A 78 1.314 -10.093 9.737 1.00 0.00 O ATOM 0 H GLY A 78 2.147 -7.450 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.224 -9.449 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.725 -7.839 8.587 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.002 -8.984 8.376 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.218 -9.520 9.051 1.00 0.00 C ATOM 1219 C ALA A 79 -1.328 -11.026 8.809 1.00 0.00 C ATOM 1220 O ALA A 79 -1.738 -11.773 9.676 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.459 -8.823 8.489 1.00 0.00 C ATOM 0 H ALA A 79 -0.180 -8.351 7.596 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.145 -9.334 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.350 -9.213 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.386 -7.750 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.526 -9.008 7.417 1.00 0.00 H new ATOM 1227 N THR A 80 -0.968 -11.481 7.642 1.00 0.00 N ATOM 1228 CA THR A 80 -1.056 -12.939 7.355 1.00 0.00 C ATOM 1229 C THR A 80 0.189 -13.640 7.889 1.00 0.00 C ATOM 1230 O THR A 80 0.145 -14.789 8.280 1.00 0.00 O ATOM 1231 CB THR A 80 -1.158 -13.156 5.843 1.00 0.00 C ATOM 1232 OG1 THR A 80 0.058 -12.754 5.226 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.316 -12.328 5.283 1.00 0.00 C ATOM 0 H THR A 80 -0.617 -10.907 6.875 1.00 0.00 H new ATOM 0 HA THR A 80 -1.940 -13.352 7.841 1.00 0.00 H new ATOM 0 HB THR A 80 -1.338 -14.211 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.433 -11.989 5.710 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.387 -12.484 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.247 -12.638 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.140 -11.272 5.486 1.00 0.00 H new ATOM 1241 N THR A 81 1.300 -12.959 7.900 1.00 0.00 N ATOM 1242 CA THR A 81 2.551 -13.582 8.396 1.00 0.00 C ATOM 1243 C THR A 81 3.264 -12.622 9.355 1.00 0.00 C ATOM 1244 O THR A 81 3.118 -11.422 9.256 1.00 0.00 O ATOM 1245 CB THR A 81 3.455 -13.881 7.205 1.00 0.00 C ATOM 1246 OG1 THR A 81 3.099 -13.037 6.119 1.00 0.00 O ATOM 1247 CG2 THR A 81 3.291 -15.343 6.792 1.00 0.00 C ATOM 0 H THR A 81 1.393 -11.993 7.585 1.00 0.00 H new ATOM 0 HA THR A 81 2.318 -14.505 8.928 1.00 0.00 H new ATOM 0 HB THR A 81 4.493 -13.699 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.680 -13.227 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.938 -15.555 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.565 -15.990 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.253 -15.529 6.515 1.00 0.00 H new