USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.74) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -0.158 (180deg=-0.813) USER MOD Single : A 49 GLN : amide:sc= -0.504 K(o=-0.5,f=-2.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 0.432 -8.415 -13.991 1.00 0.00 N ATOM 90 CA ILE A 10 0.197 -7.461 -12.915 1.00 0.00 C ATOM 91 C ILE A 10 -0.913 -7.942 -11.986 1.00 0.00 C ATOM 92 O ILE A 10 -2.026 -8.228 -12.428 1.00 0.00 O ATOM 93 CB ILE A 10 -0.176 -6.072 -13.465 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.888 -5.588 -14.453 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.340 -5.077 -12.325 1.00 0.00 C ATOM 96 CD1 ILE A 10 0.612 -5.992 -15.884 1.00 0.00 C ATOM 0 HA ILE A 10 1.129 -7.383 -12.354 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.127 -6.150 -13.993 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.956 -4.502 -14.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.858 -5.984 -14.153 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.604 -4.100 -12.730 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.130 -5.418 -11.656 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.596 -5.000 -11.772 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.406 -5.615 -16.528 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.573 -7.079 -15.954 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.343 -5.573 -16.203 1.00 0.00 H new ATOM 108 N VAL A 11 -0.603 -8.028 -10.697 1.00 0.00 N ATOM 109 CA VAL A 11 -1.574 -8.472 -9.704 1.00 0.00 C ATOM 110 C VAL A 11 -2.288 -7.286 -9.065 1.00 0.00 C ATOM 111 O VAL A 11 -1.674 -6.256 -8.786 1.00 0.00 O ATOM 112 CB VAL A 11 -0.905 -9.311 -8.599 1.00 0.00 C ATOM 113 CG1 VAL A 11 -1.944 -9.817 -7.610 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.127 -10.468 -9.207 1.00 0.00 C ATOM 0 H VAL A 11 0.314 -7.796 -10.315 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.302 -9.091 -10.228 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.203 -8.676 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.453 -10.408 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.453 -8.969 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.672 -10.437 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.339 -11.050 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.806 -11.105 -9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.644 -10.079 -9.872 1.00 0.00 H new ATOM 124 N SER A 12 -3.588 -7.438 -8.836 1.00 0.00 N ATOM 125 CA SER A 12 -4.387 -6.378 -8.232 1.00 0.00 C ATOM 126 C SER A 12 -5.218 -6.918 -7.072 1.00 0.00 C ATOM 127 O SER A 12 -5.814 -7.990 -7.168 1.00 0.00 O ATOM 128 CB SER A 12 -5.304 -5.742 -9.279 1.00 0.00 C ATOM 129 OG SER A 12 -4.553 -5.046 -10.259 1.00 0.00 O ATOM 0 H SER A 12 -4.111 -8.285 -9.060 1.00 0.00 H new ATOM 0 HA SER A 12 -3.707 -5.619 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.905 -6.515 -9.758 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.997 -5.056 -8.792 1.00 0.00 H new ATOM 0 HG SER A 12 -5.162 -4.650 -10.917 1.00 0.00 H new ATOM 135 N ALA A 13 -5.253 -6.166 -5.977 1.00 0.00 N ATOM 136 CA ALA A 13 -6.012 -6.566 -4.799 1.00 0.00 C ATOM 137 C ALA A 13 -7.070 -5.526 -4.447 1.00 0.00 C ATOM 138 O ALA A 13 -7.053 -4.411 -4.968 1.00 0.00 O ATOM 139 CB ALA A 13 -5.077 -6.791 -3.620 1.00 0.00 C ATOM 0 H ALA A 13 -4.764 -5.276 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.523 -7.501 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.658 -7.089 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.363 -7.577 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.540 -5.868 -3.400 1.00 0.00 H new ATOM 145 N GLU A 14 -7.988 -5.898 -3.561 1.00 0.00 N ATOM 146 CA GLU A 14 -9.055 -4.996 -3.143 1.00 0.00 C ATOM 147 C GLU A 14 -9.020 -4.777 -1.633 1.00 0.00 C ATOM 148 O GLU A 14 -9.057 -5.730 -0.856 1.00 0.00 O ATOM 149 CB GLU A 14 -10.418 -5.554 -3.557 1.00 0.00 C ATOM 150 CG GLU A 14 -11.578 -4.979 -2.763 1.00 0.00 C ATOM 151 CD GLU A 14 -12.887 -5.691 -3.043 1.00 0.00 C ATOM 152 OE1 GLU A 14 -12.922 -6.934 -2.928 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.876 -5.006 -3.378 1.00 0.00 O ATOM 0 H GLU A 14 -8.015 -6.817 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.899 -4.037 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.578 -5.351 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.409 -6.637 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.353 -5.046 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.686 -3.921 -3.000 1.00 0.00 H new ATOM 160 N ALA A 15 -8.948 -3.514 -1.226 1.00 0.00 N ATOM 161 CA ALA A 15 -8.910 -3.169 0.190 1.00 0.00 C ATOM 162 C ALA A 15 -10.233 -3.499 0.872 1.00 0.00 C ATOM 163 O ALA A 15 -11.243 -2.833 0.645 1.00 0.00 O ATOM 164 CB ALA A 15 -8.578 -1.694 0.365 1.00 0.00 C ATOM 0 H ALA A 15 -8.915 -2.713 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.129 -3.765 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.553 -1.450 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.604 -1.485 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.339 -1.089 -0.128 1.00 0.00 H new ATOM 170 N VAL A 16 -10.221 -4.533 1.707 1.00 0.00 N ATOM 171 CA VAL A 16 -11.421 -4.952 2.422 1.00 0.00 C ATOM 172 C VAL A 16 -11.420 -4.426 3.853 1.00 0.00 C ATOM 173 O VAL A 16 -12.473 -4.133 4.418 1.00 0.00 O ATOM 174 CB VAL A 16 -11.549 -6.487 2.451 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.447 -7.058 1.045 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.491 -7.093 3.360 1.00 0.00 C ATOM 0 H VAL A 16 -9.394 -5.096 1.905 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.272 -4.533 1.885 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.529 -6.745 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.540 -8.143 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.246 -6.648 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.482 -6.792 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.597 -8.178 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.500 -6.828 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.617 -6.708 4.372 1.00 0.00 H new ATOM 186 N TRP A 17 -10.231 -4.308 4.433 1.00 0.00 N ATOM 187 CA TRP A 17 -10.092 -3.816 5.799 1.00 0.00 C ATOM 188 C TRP A 17 -9.589 -2.377 5.810 1.00 0.00 C ATOM 189 O TRP A 17 -8.476 -2.095 5.367 1.00 0.00 O ATOM 190 CB TRP A 17 -9.136 -4.710 6.590 1.00 0.00 C ATOM 191 CG TRP A 17 -9.701 -6.065 6.891 1.00 0.00 C ATOM 192 CD1 TRP A 17 -9.451 -7.225 6.216 1.00 0.00 C ATOM 193 CD2 TRP A 17 -10.613 -6.399 7.942 1.00 0.00 C ATOM 194 NE1 TRP A 17 -10.153 -8.261 6.785 1.00 0.00 N ATOM 195 CE2 TRP A 17 -10.873 -7.780 7.846 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.235 -5.666 8.957 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -11.727 -8.440 8.726 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -12.083 -6.322 9.829 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.322 -7.698 9.710 1.00 0.00 C ATOM 0 H TRP A 17 -9.349 -4.546 3.979 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.075 -3.841 6.270 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.210 -4.827 6.027 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -8.879 -4.215 7.527 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -8.798 -7.315 5.361 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -10.140 -9.231 6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -11.056 -4.606 9.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.913 -9.500 8.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -12.570 -5.765 10.616 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -12.989 -8.182 10.408 1.00 0.00 H new ATOM 210 N ASP A 18 -10.416 -1.470 6.320 1.00 0.00 N ATOM 211 CA ASP A 18 -10.054 -0.059 6.390 1.00 0.00 C ATOM 212 C ASP A 18 -8.681 0.118 7.031 1.00 0.00 C ATOM 213 O ASP A 18 -8.554 0.133 8.256 1.00 0.00 O ATOM 214 CB ASP A 18 -11.105 0.720 7.181 1.00 0.00 C ATOM 215 CG ASP A 18 -11.156 0.307 8.639 1.00 0.00 C ATOM 216 OD1 ASP A 18 -10.923 -0.886 8.926 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.431 1.176 9.493 1.00 0.00 O ATOM 0 H ASP A 18 -11.341 -1.687 6.691 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.013 0.332 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.888 1.786 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.084 0.566 6.728 1.00 0.00 H new ATOM 222 N HIS A 19 -7.656 0.251 6.196 1.00 0.00 N ATOM 223 CA HIS A 19 -6.292 0.427 6.682 1.00 0.00 C ATOM 224 C HIS A 19 -5.836 1.873 6.510 1.00 0.00 C ATOM 225 O HIS A 19 -5.012 2.177 5.647 1.00 0.00 O ATOM 226 CB HIS A 19 -5.339 -0.512 5.941 1.00 0.00 C ATOM 227 CG HIS A 19 -3.984 -0.610 6.572 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.818 -0.307 5.901 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.614 -0.979 7.821 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.789 -0.487 6.710 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.245 -0.894 7.881 1.00 0.00 N ATOM 0 H HIS A 19 -7.744 0.240 5.180 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.277 0.184 7.744 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.783 -1.506 5.897 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.228 -0.167 4.913 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.273 -1.283 8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.751 -0.328 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.673 -1.110 8.697 1.00 0.00 H new ATOM 240 N VAL A 20 -6.378 2.762 7.337 1.00 0.00 N ATOM 241 CA VAL A 20 -6.027 4.176 7.277 1.00 0.00 C ATOM 242 C VAL A 20 -4.959 4.521 8.308 1.00 0.00 C ATOM 243 O VAL A 20 -5.269 4.913 9.433 1.00 0.00 O ATOM 244 CB VAL A 20 -7.259 5.070 7.510 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.085 5.185 6.238 1.00 0.00 C ATOM 246 CG2 VAL A 20 -8.101 4.528 8.655 1.00 0.00 C ATOM 0 H VAL A 20 -7.062 2.528 8.056 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.636 4.363 6.277 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.915 6.068 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.951 5.821 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.476 5.623 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.421 4.194 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.967 5.172 8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.436 3.519 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.504 4.504 9.566 1.00 0.00 H new ATOM 256 N THR A 21 -3.697 4.373 7.917 1.00 0.00 N ATOM 257 CA THR A 21 -2.581 4.668 8.808 1.00 0.00 C ATOM 258 C THR A 21 -1.520 5.503 8.101 1.00 0.00 C ATOM 259 O THR A 21 -0.671 4.970 7.388 1.00 0.00 O ATOM 260 CB THR A 21 -1.931 3.378 9.342 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.709 3.689 10.019 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.655 2.402 8.208 1.00 0.00 C ATOM 0 H THR A 21 -3.422 4.051 6.989 1.00 0.00 H new ATOM 0 HA THR A 21 -2.987 5.234 9.646 1.00 0.00 H new ATOM 0 HB THR A 21 -2.624 2.911 10.042 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.303 2.864 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.196 1.498 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.592 2.144 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.979 2.863 7.488 1.00 0.00 H new ATOM 270 N MET A 22 -1.574 6.816 8.304 1.00 0.00 N ATOM 271 CA MET A 22 -0.615 7.724 7.687 1.00 0.00 C ATOM 272 C MET A 22 0.381 8.247 8.718 1.00 0.00 C ATOM 273 O MET A 22 0.742 9.423 8.705 1.00 0.00 O ATOM 274 CB MET A 22 -1.343 8.895 7.024 1.00 0.00 C ATOM 275 CG MET A 22 -1.712 8.638 5.572 1.00 0.00 C ATOM 276 SD MET A 22 -0.420 9.156 4.426 1.00 0.00 S ATOM 277 CE MET A 22 -1.258 10.469 3.541 1.00 0.00 C ATOM 0 H MET A 22 -2.272 7.274 8.891 1.00 0.00 H new ATOM 0 HA MET A 22 -0.065 7.170 6.926 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.250 9.114 7.587 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.712 9.782 7.078 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.910 7.575 5.434 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.635 9.168 5.336 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.586 10.891 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.143 10.068 3.047 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.556 11.248 4.243 1.00 0.00 H new ATOM 287 N ALA A 23 0.819 7.365 9.611 1.00 0.00 N ATOM 288 CA ALA A 23 1.773 7.738 10.648 1.00 0.00 C ATOM 289 C ALA A 23 2.983 8.449 10.051 1.00 0.00 C ATOM 290 O ALA A 23 3.299 9.577 10.426 1.00 0.00 O ATOM 291 CB ALA A 23 2.213 6.507 11.427 1.00 0.00 C ATOM 0 H ALA A 23 0.528 6.388 9.637 1.00 0.00 H new ATOM 0 HA ALA A 23 1.279 8.429 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.925 6.800 12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.344 6.042 11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.685 5.796 10.748 1.00 0.00 H new ATOM 297 N ASN A 24 3.656 7.781 9.119 1.00 0.00 N ATOM 298 CA ASN A 24 4.832 8.350 8.471 1.00 0.00 C ATOM 299 C ASN A 24 4.757 8.175 6.957 1.00 0.00 C ATOM 300 O ASN A 24 4.675 9.152 6.212 1.00 0.00 O ATOM 301 CB ASN A 24 6.104 7.693 9.009 1.00 0.00 C ATOM 302 CG ASN A 24 7.330 8.565 8.820 1.00 0.00 C ATOM 303 OD1 ASN A 24 7.281 9.583 8.129 1.00 0.00 O ATOM 304 ND2 ASN A 24 8.438 8.169 9.434 1.00 0.00 N ATOM 0 H ASN A 24 3.407 6.846 8.796 1.00 0.00 H new ATOM 0 HA ASN A 24 4.859 9.416 8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.976 7.475 10.069 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.259 6.739 8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.295 8.715 9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.433 7.318 9.997 1.00 0.00 H new ATOM 311 N ARG A 25 4.785 6.924 6.509 1.00 0.00 N ATOM 312 CA ARG A 25 4.720 6.621 5.085 1.00 0.00 C ATOM 313 C ARG A 25 3.620 5.604 4.795 1.00 0.00 C ATOM 314 O ARG A 25 3.036 5.600 3.712 1.00 0.00 O ATOM 315 CB ARG A 25 6.067 6.085 4.594 1.00 0.00 C ATOM 316 CG ARG A 25 7.056 7.176 4.219 1.00 0.00 C ATOM 317 CD ARG A 25 7.600 7.883 5.450 1.00 0.00 C ATOM 318 NE ARG A 25 8.910 8.480 5.205 1.00 0.00 N ATOM 319 CZ ARG A 25 9.088 9.611 4.532 1.00 0.00 C ATOM 320 NH1 ARG A 25 8.044 10.265 4.040 1.00 0.00 N ATOM 321 NH2 ARG A 25 10.311 10.091 4.350 1.00 0.00 N ATOM 0 H ARG A 25 4.852 6.104 7.112 1.00 0.00 H new ATOM 0 HA ARG A 25 4.488 7.544 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.506 5.461 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.900 5.445 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.881 6.742 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.569 7.901 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.901 8.659 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.674 7.172 6.273 1.00 0.00 H new ATOM 0 HE ARG A 25 9.734 8.002 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.102 9.899 4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.183 11.133 3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.116 9.591 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.446 10.960 3.833 1.00 0.00 H new ATOM 335 N GLU A 26 3.344 4.743 5.770 1.00 0.00 N ATOM 336 CA GLU A 26 2.315 3.721 5.617 1.00 0.00 C ATOM 337 C GLU A 26 1.150 4.243 4.781 1.00 0.00 C ATOM 338 O GLU A 26 0.489 5.212 5.154 1.00 0.00 O ATOM 339 CB GLU A 26 1.810 3.266 6.988 1.00 0.00 C ATOM 340 CG GLU A 26 2.688 2.211 7.641 1.00 0.00 C ATOM 341 CD GLU A 26 4.162 2.563 7.587 1.00 0.00 C ATOM 342 OE1 GLU A 26 4.594 3.432 8.373 1.00 0.00 O ATOM 343 OE2 GLU A 26 4.883 1.969 6.759 1.00 0.00 O ATOM 0 H GLU A 26 3.818 4.733 6.673 1.00 0.00 H new ATOM 0 HA GLU A 26 2.758 2.870 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.745 4.131 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.800 2.870 6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.386 2.086 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.529 1.253 7.145 1.00 0.00 H new ATOM 350 N LEU A 27 0.905 3.593 3.649 1.00 0.00 N ATOM 351 CA LEU A 27 -0.179 3.990 2.758 1.00 0.00 C ATOM 352 C LEU A 27 -1.536 3.770 3.420 1.00 0.00 C ATOM 353 O LEU A 27 -1.884 2.649 3.788 1.00 0.00 O ATOM 354 CB LEU A 27 -0.105 3.203 1.449 1.00 0.00 C ATOM 355 CG LEU A 27 -1.186 3.517 0.414 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.815 4.756 -0.386 1.00 0.00 C ATOM 357 CD2 LEU A 27 -1.401 2.327 -0.510 1.00 0.00 C ATOM 0 H LEU A 27 1.443 2.788 3.326 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.068 5.053 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.869 3.384 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.154 2.140 1.684 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.120 3.716 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.596 4.964 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.713 5.607 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.130 4.586 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.174 2.568 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.471 2.097 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.713 1.463 0.076 1.00 0.00 H new ATOM 369 N ALA A 28 -2.299 4.849 3.567 1.00 0.00 N ATOM 370 CA ALA A 28 -3.619 4.773 4.180 1.00 0.00 C ATOM 371 C ALA A 28 -4.713 4.701 3.121 1.00 0.00 C ATOM 372 O ALA A 28 -4.730 5.490 2.176 1.00 0.00 O ATOM 373 CB ALA A 28 -3.845 5.968 5.095 1.00 0.00 C ATOM 0 H ALA A 28 -2.025 5.786 3.270 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.665 3.860 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.835 5.899 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.088 5.974 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.774 6.888 4.516 1.00 0.00 H new ATOM 379 N PHE A 29 -5.626 3.749 3.284 1.00 0.00 N ATOM 380 CA PHE A 29 -6.724 3.572 2.340 1.00 0.00 C ATOM 381 C PHE A 29 -7.985 3.097 3.055 1.00 0.00 C ATOM 382 O PHE A 29 -7.945 2.727 4.229 1.00 0.00 O ATOM 383 CB PHE A 29 -6.332 2.571 1.251 1.00 0.00 C ATOM 384 CG PHE A 29 -5.690 1.323 1.788 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.465 0.284 2.277 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.311 1.190 1.802 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.876 -0.864 2.772 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.716 0.044 2.295 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.500 -0.985 2.779 1.00 0.00 C ATOM 0 H PHE A 29 -5.627 3.088 4.061 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.932 4.537 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.221 2.297 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.645 3.053 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.541 0.372 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.694 1.991 1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.491 -1.666 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.640 -0.047 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.038 -1.883 3.162 1.00 0.00 H new ATOM 399 N LYS A 30 -9.104 3.110 2.339 1.00 0.00 N ATOM 400 CA LYS A 30 -10.378 2.680 2.903 1.00 0.00 C ATOM 401 C LYS A 30 -10.871 1.405 2.225 1.00 0.00 C ATOM 402 O LYS A 30 -10.457 1.083 1.111 1.00 0.00 O ATOM 403 CB LYS A 30 -11.425 3.786 2.753 1.00 0.00 C ATOM 404 CG LYS A 30 -11.848 4.033 1.315 1.00 0.00 C ATOM 405 CD LYS A 30 -13.283 4.525 1.233 1.00 0.00 C ATOM 406 CE LYS A 30 -13.531 5.309 -0.047 1.00 0.00 C ATOM 407 NZ LYS A 30 -13.932 4.420 -1.172 1.00 0.00 N ATOM 0 H LYS A 30 -9.155 3.414 1.367 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.226 2.472 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.304 3.524 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.026 4.711 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.184 4.768 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.745 3.112 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.963 3.675 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.503 5.155 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.311 6.050 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.628 5.855 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.092 4.991 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.177 3.729 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.808 3.918 -0.922 1.00 0.00 H new ATOM 421 N ALA A 31 -11.757 0.684 2.903 1.00 0.00 N ATOM 422 CA ALA A 31 -12.308 -0.553 2.364 1.00 0.00 C ATOM 423 C ALA A 31 -13.093 -0.293 1.083 1.00 0.00 C ATOM 424 O ALA A 31 -14.201 0.240 1.120 1.00 0.00 O ATOM 425 CB ALA A 31 -13.194 -1.231 3.399 1.00 0.00 C ATOM 0 H ALA A 31 -12.109 0.935 3.827 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.477 -1.216 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.599 -2.154 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.605 -1.461 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.013 -0.565 3.669 1.00 0.00 H new ATOM 431 N GLY A 32 -12.510 -0.671 -0.050 1.00 0.00 N ATOM 432 CA GLY A 32 -13.169 -0.469 -1.327 1.00 0.00 C ATOM 433 C GLY A 32 -12.222 0.043 -2.394 1.00 0.00 C ATOM 434 O GLY A 32 -12.350 -0.306 -3.568 1.00 0.00 O ATOM 0 H GLY A 32 -11.593 -1.114 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.610 -1.410 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.988 0.240 -1.202 1.00 0.00 H new ATOM 438 N ASP A 33 -11.270 0.875 -1.987 1.00 0.00 N ATOM 439 CA ASP A 33 -10.297 1.438 -2.917 1.00 0.00 C ATOM 440 C ASP A 33 -9.453 0.337 -3.552 1.00 0.00 C ATOM 441 O ASP A 33 -9.303 -0.748 -2.990 1.00 0.00 O ATOM 442 CB ASP A 33 -9.393 2.440 -2.198 1.00 0.00 C ATOM 443 CG ASP A 33 -9.947 3.850 -2.234 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.148 4.380 -3.347 1.00 0.00 O ATOM 445 OD2 ASP A 33 -10.179 4.425 -1.150 1.00 0.00 O ATOM 0 H ASP A 33 -11.151 1.175 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.842 1.955 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.265 2.130 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.405 2.429 -2.659 1.00 0.00 H new ATOM 450 N VAL A 34 -8.905 0.624 -4.729 1.00 0.00 N ATOM 451 CA VAL A 34 -8.076 -0.341 -5.442 1.00 0.00 C ATOM 452 C VAL A 34 -6.602 0.040 -5.367 1.00 0.00 C ATOM 453 O VAL A 34 -6.235 1.189 -5.611 1.00 0.00 O ATOM 454 CB VAL A 34 -8.492 -0.454 -6.920 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.571 -1.411 -7.663 1.00 0.00 C ATOM 456 CG2 VAL A 34 -9.942 -0.902 -7.033 1.00 0.00 C ATOM 0 H VAL A 34 -9.020 1.517 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.224 -1.306 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.402 0.530 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.881 -1.478 -8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.546 -1.043 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.626 -2.398 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.219 -0.976 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.060 -1.875 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.587 -0.175 -6.539 1.00 0.00 H new ATOM 466 N ILE A 35 -5.762 -0.933 -5.030 1.00 0.00 N ATOM 467 CA ILE A 35 -4.327 -0.700 -4.925 1.00 0.00 C ATOM 468 C ILE A 35 -3.554 -1.584 -5.898 1.00 0.00 C ATOM 469 O ILE A 35 -3.531 -2.807 -5.759 1.00 0.00 O ATOM 470 CB ILE A 35 -3.817 -0.960 -3.496 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.613 -0.129 -2.487 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.332 -0.644 -3.397 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.727 -0.778 -1.126 1.00 0.00 C ATOM 0 H ILE A 35 -6.050 -1.890 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.158 0.347 -5.177 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.960 -2.015 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.138 0.846 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.614 0.046 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.987 -0.833 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.778 -1.276 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.165 0.404 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.304 -0.133 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.229 -1.741 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.731 -0.928 -0.710 1.00 0.00 H new ATOM 485 N LYS A 36 -2.919 -0.957 -6.882 1.00 0.00 N ATOM 486 CA LYS A 36 -2.141 -1.685 -7.878 1.00 0.00 C ATOM 487 C LYS A 36 -0.852 -2.229 -7.270 1.00 0.00 C ATOM 488 O LYS A 36 -0.122 -1.508 -6.589 1.00 0.00 O ATOM 489 CB LYS A 36 -1.813 -0.775 -9.064 1.00 0.00 C ATOM 490 CG LYS A 36 -1.408 -1.532 -10.317 1.00 0.00 C ATOM 491 CD LYS A 36 -1.531 -0.663 -11.558 1.00 0.00 C ATOM 492 CE LYS A 36 -0.560 -1.100 -12.643 1.00 0.00 C ATOM 493 NZ LYS A 36 0.857 -0.988 -12.198 1.00 0.00 N ATOM 0 H LYS A 36 -2.928 0.055 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.741 -2.525 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.682 -0.157 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.006 -0.100 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.380 -1.881 -10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.035 -2.417 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.551 -0.714 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.340 0.377 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.771 -2.131 -12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.711 -0.489 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.466 -0.808 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.948 -0.203 -11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.148 -1.875 -11.740 1.00 0.00 H new ATOM 507 N VAL A 37 -0.578 -3.505 -7.521 1.00 0.00 N ATOM 508 CA VAL A 37 0.624 -4.145 -7.000 1.00 0.00 C ATOM 509 C VAL A 37 1.766 -4.071 -8.007 1.00 0.00 C ATOM 510 O VAL A 37 1.749 -4.753 -9.033 1.00 0.00 O ATOM 511 CB VAL A 37 0.364 -5.621 -6.642 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.595 -6.238 -5.995 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.846 -5.742 -5.729 1.00 0.00 C ATOM 0 H VAL A 37 -1.172 -4.116 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 37 0.905 -3.604 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 37 0.153 -6.168 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.393 -7.280 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.435 -6.185 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.840 -5.691 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.015 -6.791 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.667 -5.181 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.724 -5.340 -6.234 1.00 0.00 H new ATOM 523 N LEU A 38 2.758 -3.240 -7.708 1.00 0.00 N ATOM 524 CA LEU A 38 3.911 -3.077 -8.587 1.00 0.00 C ATOM 525 C LEU A 38 4.825 -4.296 -8.519 1.00 0.00 C ATOM 526 O LEU A 38 5.163 -4.889 -9.544 1.00 0.00 O ATOM 527 CB LEU A 38 4.692 -1.818 -8.207 1.00 0.00 C ATOM 528 CG LEU A 38 3.938 -0.494 -8.340 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.843 0.674 -7.979 1.00 0.00 C ATOM 530 CD2 LEU A 38 3.391 -0.331 -9.750 1.00 0.00 C ATOM 0 H LEU A 38 2.787 -2.668 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 38 3.546 -2.977 -9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.027 -1.920 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.586 -1.768 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 38 3.098 -0.505 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.290 1.608 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.186 0.564 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.703 0.688 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.858 0.617 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.215 -0.342 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.708 -1.151 -9.972 1.00 0.00 H new ATOM 542 N ASP A 39 5.219 -4.666 -7.306 1.00 0.00 N ATOM 543 CA ASP A 39 6.091 -5.818 -7.103 1.00 0.00 C ATOM 544 C ASP A 39 5.758 -6.529 -5.796 1.00 0.00 C ATOM 545 O ASP A 39 5.269 -5.912 -4.849 1.00 0.00 O ATOM 546 CB ASP A 39 7.557 -5.380 -7.100 1.00 0.00 C ATOM 547 CG ASP A 39 8.505 -6.532 -6.832 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.557 -7.464 -7.662 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.196 -6.501 -5.792 1.00 0.00 O ATOM 0 H ASP A 39 4.949 -4.185 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 39 5.929 -6.514 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.800 -4.929 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.702 -4.610 -6.342 1.00 0.00 H new ATOM 554 N ALA A 40 6.024 -7.830 -5.751 1.00 0.00 N ATOM 555 CA ALA A 40 5.753 -8.625 -4.560 1.00 0.00 C ATOM 556 C ALA A 40 6.976 -9.440 -4.153 1.00 0.00 C ATOM 557 O ALA A 40 7.057 -10.637 -4.430 1.00 0.00 O ATOM 558 CB ALA A 40 4.561 -9.540 -4.796 1.00 0.00 C ATOM 0 H ALA A 40 6.427 -8.356 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 40 5.517 -7.942 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.370 -10.128 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.682 -8.939 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.775 -10.209 -5.629 1.00 0.00 H new ATOM 611 N ASP A 44 4.274 -11.623 2.649 1.00 0.00 N ATOM 612 CA ASP A 44 2.999 -10.942 2.835 1.00 0.00 C ATOM 613 C ASP A 44 3.191 -9.429 2.872 1.00 0.00 C ATOM 614 O ASP A 44 2.465 -8.718 3.566 1.00 0.00 O ATOM 615 CB ASP A 44 2.326 -11.415 4.124 1.00 0.00 C ATOM 616 CG ASP A 44 0.848 -11.077 4.164 1.00 0.00 C ATOM 617 OD1 ASP A 44 0.505 -9.964 4.615 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.035 -11.926 3.743 1.00 0.00 O ATOM 0 HA ASP A 44 2.358 -11.188 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.452 -12.493 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.824 -10.957 4.979 1.00 0.00 H new ATOM 623 N TRP A 45 4.175 -8.945 2.123 1.00 0.00 N ATOM 624 CA TRP A 45 4.464 -7.516 2.071 1.00 0.00 C ATOM 625 C TRP A 45 4.734 -7.066 0.640 1.00 0.00 C ATOM 626 O TRP A 45 5.794 -7.347 0.081 1.00 0.00 O ATOM 627 CB TRP A 45 5.666 -7.186 2.958 1.00 0.00 C ATOM 628 CG TRP A 45 5.292 -6.885 4.378 1.00 0.00 C ATOM 629 CD1 TRP A 45 5.769 -7.503 5.499 1.00 0.00 C ATOM 630 CD2 TRP A 45 4.362 -5.895 4.828 1.00 0.00 C ATOM 631 NE1 TRP A 45 5.190 -6.956 6.619 1.00 0.00 N ATOM 632 CE2 TRP A 45 4.324 -5.966 6.234 1.00 0.00 C ATOM 633 CE3 TRP A 45 3.558 -4.952 4.180 1.00 0.00 C ATOM 634 CZ2 TRP A 45 3.514 -5.133 7.001 1.00 0.00 C ATOM 635 CZ3 TRP A 45 2.755 -4.126 4.943 1.00 0.00 C ATOM 636 CH2 TRP A 45 2.738 -4.220 6.341 1.00 0.00 C ATOM 0 H TRP A 45 4.786 -9.520 1.543 1.00 0.00 H new ATOM 0 HA TRP A 45 3.590 -6.980 2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.361 -8.026 2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 45 6.193 -6.329 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.494 -8.303 5.504 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.375 -7.241 7.581 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.565 -4.871 3.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.499 -5.205 8.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.129 -3.395 4.453 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.100 -3.559 6.908 1.00 0.00 H new ATOM 647 N TRP A 46 3.770 -6.367 0.053 1.00 0.00 N ATOM 648 CA TRP A 46 3.905 -5.878 -1.315 1.00 0.00 C ATOM 649 C TRP A 46 3.700 -4.369 -1.376 1.00 0.00 C ATOM 650 O TRP A 46 3.160 -3.768 -0.447 1.00 0.00 O ATOM 651 CB TRP A 46 2.899 -6.579 -2.230 1.00 0.00 C ATOM 652 CG TRP A 46 2.824 -8.059 -2.007 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.852 -8.889 -1.662 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.658 -8.884 -2.115 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.395 -10.181 -1.549 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.053 -10.204 -1.821 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.319 -8.635 -2.428 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.156 -11.269 -1.833 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.569 -9.694 -2.441 1.00 0.00 C ATOM 660 CH2 TRP A 46 -0.148 -10.997 -2.144 1.00 0.00 C ATOM 0 H TRP A 46 2.886 -6.126 0.502 1.00 0.00 H new ATOM 0 HA TRP A 46 4.915 -6.103 -1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.912 -6.145 -2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.169 -6.389 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.873 -8.577 -1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.964 -10.991 -1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.016 -7.634 -2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.478 -12.274 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.606 -9.514 -2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.867 -11.802 -2.161 1.00 0.00 H new ATOM 671 N TRP A 47 4.134 -3.762 -2.475 1.00 0.00 N ATOM 672 CA TRP A 47 3.998 -2.321 -2.656 1.00 0.00 C ATOM 673 C TRP A 47 2.737 -1.989 -3.448 1.00 0.00 C ATOM 674 O TRP A 47 2.346 -2.729 -4.349 1.00 0.00 O ATOM 675 CB TRP A 47 5.227 -1.757 -3.371 1.00 0.00 C ATOM 676 CG TRP A 47 5.115 -0.296 -3.682 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.467 0.269 -4.744 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.669 0.786 -2.926 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.585 1.637 -4.692 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.317 1.980 -3.586 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.426 0.864 -1.754 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.698 3.232 -3.113 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.804 2.108 -1.286 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.439 3.278 -1.963 1.00 0.00 C ATOM 0 H TRP A 47 4.583 -4.245 -3.254 1.00 0.00 H new ATOM 0 HA TRP A 47 3.918 -1.862 -1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.107 -1.922 -2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.383 -2.308 -4.299 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.940 -0.279 -5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.191 2.292 -5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.711 -0.032 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.419 4.135 -3.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.391 2.179 -0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.748 4.235 -1.570 1.00 0.00 H new ATOM 695 N GLY A 48 2.106 -0.870 -3.105 1.00 0.00 N ATOM 696 CA GLY A 48 0.896 -0.460 -3.794 1.00 0.00 C ATOM 697 C GLY A 48 1.039 0.894 -4.459 1.00 0.00 C ATOM 698 O GLY A 48 1.835 1.725 -4.024 1.00 0.00 O ATOM 0 H GLY A 48 2.411 -0.240 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.639 -1.206 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.070 -0.427 -3.083 1.00 0.00 H new ATOM 702 N GLN A 49 0.266 1.115 -5.518 1.00 0.00 N ATOM 703 CA GLN A 49 0.313 2.378 -6.246 1.00 0.00 C ATOM 704 C GLN A 49 -1.087 2.819 -6.662 1.00 0.00 C ATOM 705 O GLN A 49 -1.749 2.149 -7.455 1.00 0.00 O ATOM 706 CB GLN A 49 1.206 2.246 -7.481 1.00 0.00 C ATOM 707 CG GLN A 49 1.842 3.557 -7.915 1.00 0.00 C ATOM 708 CD GLN A 49 2.510 3.461 -9.272 1.00 0.00 C ATOM 709 OE1 GLN A 49 2.021 2.775 -10.170 1.00 0.00 O ATOM 710 NE2 GLN A 49 3.634 4.150 -9.430 1.00 0.00 N ATOM 0 H GLN A 49 -0.399 0.437 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 49 0.731 3.135 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.993 1.521 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.615 1.848 -8.306 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.079 4.334 -7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.579 3.862 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.004 4.706 -8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.127 4.124 -10.322 1.00 0.00 H new ATOM 719 N ILE A 50 -1.531 3.948 -6.120 1.00 0.00 N ATOM 720 CA ILE A 50 -2.852 4.477 -6.435 1.00 0.00 C ATOM 721 C ILE A 50 -2.753 5.691 -7.353 1.00 0.00 C ATOM 722 O ILE A 50 -1.736 6.386 -7.373 1.00 0.00 O ATOM 723 CB ILE A 50 -3.619 4.873 -5.160 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.619 3.716 -4.159 1.00 0.00 C ATOM 725 CG2 ILE A 50 -5.043 5.283 -5.504 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.128 4.103 -2.788 1.00 0.00 C ATOM 0 H ILE A 50 -0.996 4.514 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.397 3.682 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.117 5.725 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.235 2.907 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.605 3.328 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.572 5.560 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.022 6.134 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.556 4.449 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.100 3.234 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.498 4.891 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.153 4.463 -2.869 1.00 0.00 H new ATOM 738 N ASP A 51 -3.816 5.943 -8.109 1.00 0.00 N ATOM 739 CA ASP A 51 -3.850 7.075 -9.027 1.00 0.00 C ATOM 740 C ASP A 51 -3.033 8.242 -8.481 1.00 0.00 C ATOM 741 O ASP A 51 -2.040 8.653 -9.082 1.00 0.00 O ATOM 742 CB ASP A 51 -5.294 7.517 -9.271 1.00 0.00 C ATOM 743 CG ASP A 51 -6.139 6.420 -9.888 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.889 6.066 -11.059 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.050 5.915 -9.199 1.00 0.00 O ATOM 0 H ASP A 51 -4.665 5.378 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.410 6.758 -9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.740 7.827 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.298 8.387 -9.927 1.00 0.00 H new ATOM 750 N ASP A 52 -3.458 8.773 -7.340 1.00 0.00 N ATOM 751 CA ASP A 52 -2.767 9.893 -6.713 1.00 0.00 C ATOM 752 C ASP A 52 -1.929 9.420 -5.528 1.00 0.00 C ATOM 753 O ASP A 52 -0.784 9.837 -5.361 1.00 0.00 O ATOM 754 CB ASP A 52 -3.773 10.948 -6.252 1.00 0.00 C ATOM 755 CG ASP A 52 -4.850 11.211 -7.286 1.00 0.00 C ATOM 756 OD1 ASP A 52 -4.555 11.090 -8.494 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.988 11.539 -6.888 1.00 0.00 O ATOM 0 H ASP A 52 -4.278 8.445 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.101 10.336 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.238 10.621 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.247 11.878 -6.035 1.00 0.00 H new ATOM 762 N GLU A 53 -2.510 8.548 -4.710 1.00 0.00 N ATOM 763 CA GLU A 53 -1.817 8.021 -3.540 1.00 0.00 C ATOM 764 C GLU A 53 -0.826 6.932 -3.940 1.00 0.00 C ATOM 765 O GLU A 53 -1.008 6.254 -4.950 1.00 0.00 O ATOM 766 CB GLU A 53 -2.824 7.464 -2.531 1.00 0.00 C ATOM 767 CG GLU A 53 -3.755 8.518 -1.955 1.00 0.00 C ATOM 768 CD GLU A 53 -4.837 7.922 -1.076 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.673 7.157 -1.602 1.00 0.00 O ATOM 770 OE2 GLU A 53 -4.850 8.221 0.136 1.00 0.00 O ATOM 0 H GLU A 53 -3.458 8.192 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.265 8.839 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.420 6.690 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.282 6.986 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.173 9.233 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.219 9.073 -2.771 1.00 0.00 H new ATOM 777 N GLU A 54 0.223 6.772 -3.139 1.00 0.00 N ATOM 778 CA GLU A 54 1.244 5.767 -3.411 1.00 0.00 C ATOM 779 C GLU A 54 1.930 5.326 -2.121 1.00 0.00 C ATOM 780 O GLU A 54 2.038 6.096 -1.168 1.00 0.00 O ATOM 781 CB GLU A 54 2.282 6.314 -4.392 1.00 0.00 C ATOM 782 CG GLU A 54 1.712 6.642 -5.762 1.00 0.00 C ATOM 783 CD GLU A 54 2.697 7.388 -6.641 1.00 0.00 C ATOM 784 OE1 GLU A 54 3.917 7.235 -6.428 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.245 8.127 -7.541 1.00 0.00 O ATOM 0 H GLU A 54 0.388 7.325 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 54 0.755 4.901 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.730 7.213 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.082 5.583 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.415 5.718 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.811 7.243 -5.642 1.00 0.00 H new ATOM 792 N GLY A 55 2.391 4.079 -2.099 1.00 0.00 N ATOM 793 CA GLY A 55 3.060 3.556 -0.922 1.00 0.00 C ATOM 794 C GLY A 55 2.979 2.045 -0.832 1.00 0.00 C ATOM 795 O GLY A 55 2.863 1.362 -1.850 1.00 0.00 O ATOM 0 H GLY A 55 2.313 3.422 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.107 3.860 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.614 3.994 -0.029 1.00 0.00 H new ATOM 799 N TRP A 56 3.042 1.522 0.387 1.00 0.00 N ATOM 800 CA TRP A 56 2.976 0.082 0.605 1.00 0.00 C ATOM 801 C TRP A 56 1.753 -0.288 1.438 1.00 0.00 C ATOM 802 O TRP A 56 1.459 0.357 2.445 1.00 0.00 O ATOM 803 CB TRP A 56 4.248 -0.408 1.299 1.00 0.00 C ATOM 804 CG TRP A 56 4.211 -0.249 2.789 1.00 0.00 C ATOM 805 CD1 TRP A 56 3.741 0.827 3.486 1.00 0.00 C ATOM 806 CD2 TRP A 56 4.665 -1.194 3.763 1.00 0.00 C ATOM 807 NE1 TRP A 56 3.874 0.607 4.836 1.00 0.00 N ATOM 808 CE2 TRP A 56 4.438 -0.626 5.032 1.00 0.00 C ATOM 809 CE3 TRP A 56 5.238 -2.466 3.688 1.00 0.00 C ATOM 810 CZ2 TRP A 56 4.766 -1.287 6.213 1.00 0.00 C ATOM 811 CZ3 TRP A 56 5.564 -3.121 4.861 1.00 0.00 C ATOM 812 CH2 TRP A 56 5.327 -2.531 6.109 1.00 0.00 C ATOM 0 H TRP A 56 3.139 2.074 1.239 1.00 0.00 H new ATOM 0 HA TRP A 56 2.890 -0.404 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.403 -1.459 1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.103 0.140 0.903 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.326 1.720 3.042 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.598 1.256 5.572 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.423 -2.930 2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.584 -0.834 7.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.009 -4.104 4.814 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.592 -3.069 7.007 1.00 0.00 H new ATOM 823 N PHE A 57 1.045 -1.328 1.012 1.00 0.00 N ATOM 824 CA PHE A 57 -0.147 -1.782 1.719 1.00 0.00 C ATOM 825 C PHE A 57 0.001 -3.237 2.155 1.00 0.00 C ATOM 826 O PHE A 57 0.603 -4.060 1.465 1.00 0.00 O ATOM 827 CB PHE A 57 -1.383 -1.627 0.831 1.00 0.00 C ATOM 828 CG PHE A 57 -1.405 -2.572 -0.336 1.00 0.00 C ATOM 829 CD1 PHE A 57 -0.566 -2.374 -1.421 1.00 0.00 C ATOM 830 CD2 PHE A 57 -2.264 -3.659 -0.349 1.00 0.00 C ATOM 831 CE1 PHE A 57 -0.584 -3.242 -2.496 1.00 0.00 C ATOM 832 CE2 PHE A 57 -2.287 -4.531 -1.421 1.00 0.00 C ATOM 833 CZ PHE A 57 -1.445 -4.322 -2.496 1.00 0.00 C ATOM 0 H PHE A 57 1.276 -1.872 0.181 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.268 -1.165 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.276 -1.787 1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.428 -0.603 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.110 -1.532 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.924 -3.827 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.075 -3.076 -3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.962 -5.374 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.460 -5.002 -3.335 1.00 0.00 H new ATOM 843 N PRO A 58 -0.561 -3.563 3.328 1.00 0.00 N ATOM 844 CA PRO A 58 -0.506 -4.919 3.883 1.00 0.00 C ATOM 845 C PRO A 58 -1.357 -5.905 3.090 1.00 0.00 C ATOM 846 O PRO A 58 -2.524 -5.641 2.803 1.00 0.00 O ATOM 847 CB PRO A 58 -1.066 -4.746 5.297 1.00 0.00 C ATOM 848 CG PRO A 58 -1.938 -3.540 5.215 1.00 0.00 C ATOM 849 CD PRO A 58 -1.295 -2.633 4.203 1.00 0.00 C ATOM 0 HA PRO A 58 0.503 -5.330 3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.633 -5.624 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.267 -4.608 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.949 -3.810 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.017 -3.049 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.038 -2.060 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.626 -1.914 4.676 1.00 0.00 H new ATOM 857 N ALA A 59 -0.765 -7.042 2.740 1.00 0.00 N ATOM 858 CA ALA A 59 -1.470 -8.068 1.982 1.00 0.00 C ATOM 859 C ALA A 59 -2.436 -8.842 2.873 1.00 0.00 C ATOM 860 O ALA A 59 -3.172 -9.708 2.401 1.00 0.00 O ATOM 861 CB ALA A 59 -0.476 -9.017 1.329 1.00 0.00 C ATOM 0 H ALA A 59 0.201 -7.276 2.969 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.051 -7.575 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.016 -9.778 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.172 -8.458 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.129 -9.496 2.099 1.00 0.00 H new ATOM 867 N SER A 60 -2.428 -8.524 4.164 1.00 0.00 N ATOM 868 CA SER A 60 -3.300 -9.192 5.121 1.00 0.00 C ATOM 869 C SER A 60 -4.650 -8.487 5.211 1.00 0.00 C ATOM 870 O SER A 60 -5.648 -9.080 5.622 1.00 0.00 O ATOM 871 CB SER A 60 -2.641 -9.235 6.501 1.00 0.00 C ATOM 872 OG SER A 60 -3.575 -9.601 7.502 1.00 0.00 O ATOM 0 H SER A 60 -1.827 -7.807 4.570 1.00 0.00 H new ATOM 0 HA SER A 60 -3.465 -10.212 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.816 -9.947 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.216 -8.259 6.735 1.00 0.00 H new ATOM 0 HG SER A 60 -3.128 -9.623 8.374 1.00 0.00 H new ATOM 878 N PHE A 61 -4.673 -7.215 4.825 1.00 0.00 N ATOM 879 CA PHE A 61 -5.899 -6.427 4.862 1.00 0.00 C ATOM 880 C PHE A 61 -6.445 -6.204 3.455 1.00 0.00 C ATOM 881 O PHE A 61 -7.122 -5.211 3.190 1.00 0.00 O ATOM 882 CB PHE A 61 -5.643 -5.080 5.541 1.00 0.00 C ATOM 883 CG PHE A 61 -5.853 -5.108 7.028 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.345 -6.147 7.792 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.556 -4.097 7.662 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.538 -6.176 9.161 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.751 -4.120 9.030 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.240 -5.161 9.780 1.00 0.00 C ATOM 0 H PHE A 61 -3.856 -6.708 4.483 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.641 -6.981 5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.620 -4.766 5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.302 -4.330 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.793 -6.942 7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.957 -3.280 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.140 -6.992 9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.302 -3.326 9.512 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.389 -5.181 10.849 1.00 0.00 H new ATOM 898 N VAL A 62 -6.146 -7.136 2.556 1.00 0.00 N ATOM 899 CA VAL A 62 -6.607 -7.044 1.176 1.00 0.00 C ATOM 900 C VAL A 62 -6.811 -8.428 0.571 1.00 0.00 C ATOM 901 O VAL A 62 -6.001 -9.332 0.775 1.00 0.00 O ATOM 902 CB VAL A 62 -5.612 -6.255 0.303 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.353 -4.880 0.899 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.313 -7.031 0.145 1.00 0.00 C ATOM 0 H VAL A 62 -5.586 -7.964 2.759 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.560 -6.516 1.195 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.050 -6.119 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.648 -4.337 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.290 -4.326 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.935 -4.990 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.621 -6.460 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.868 -7.199 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.518 -7.990 -0.330 1.00 0.00 H new ATOM 914 N ARG A 63 -7.900 -8.587 -0.176 1.00 0.00 N ATOM 915 CA ARG A 63 -8.211 -9.861 -0.811 1.00 0.00 C ATOM 916 C ARG A 63 -7.967 -9.793 -2.315 1.00 0.00 C ATOM 917 O ARG A 63 -8.513 -8.931 -3.005 1.00 0.00 O ATOM 918 CB ARG A 63 -9.665 -10.250 -0.536 1.00 0.00 C ATOM 919 CG ARG A 63 -9.919 -10.685 0.898 1.00 0.00 C ATOM 920 CD ARG A 63 -9.320 -12.054 1.180 1.00 0.00 C ATOM 921 NE ARG A 63 -10.122 -13.131 0.607 1.00 0.00 N ATOM 922 CZ ARG A 63 -11.220 -13.614 1.178 1.00 0.00 C ATOM 923 NH1 ARG A 63 -11.644 -13.117 2.332 1.00 0.00 N ATOM 924 NH2 ARG A 63 -11.896 -14.595 0.595 1.00 0.00 N ATOM 0 H ARG A 63 -8.581 -7.849 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.553 -10.620 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.309 -9.402 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.949 -11.060 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.492 -9.952 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.992 -10.710 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.310 -12.098 0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.236 -12.198 2.257 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.823 -13.535 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.127 -12.362 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.487 -13.489 2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.573 -14.980 -0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.739 -14.965 1.035 1.00 0.00 H new ATOM 938 N LEU A 64 -7.143 -10.706 -2.818 1.00 0.00 N ATOM 939 CA LEU A 64 -6.826 -10.750 -4.241 1.00 0.00 C ATOM 940 C LEU A 64 -8.095 -10.870 -5.079 1.00 0.00 C ATOM 941 O LEU A 64 -9.173 -11.150 -4.553 1.00 0.00 O ATOM 942 CB LEU A 64 -5.891 -11.924 -4.539 1.00 0.00 C ATOM 943 CG LEU A 64 -4.444 -11.764 -4.073 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.730 -13.107 -4.079 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.708 -10.762 -4.951 1.00 0.00 C ATOM 0 H LEU A 64 -6.682 -11.426 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.326 -9.818 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.305 -12.819 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.888 -12.096 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.451 -11.384 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.701 -12.974 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.244 -13.795 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.733 -13.516 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.680 -10.661 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.710 -11.112 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.206 -9.794 -4.895 1.00 0.00 H new ATOM 957 N TRP A 65 -7.959 -10.660 -6.383 1.00 0.00 N ATOM 958 CA TRP A 65 -9.095 -10.748 -7.293 1.00 0.00 C ATOM 959 C TRP A 65 -9.328 -12.188 -7.736 1.00 0.00 C ATOM 960 O TRP A 65 -9.746 -12.440 -8.867 1.00 0.00 O ATOM 961 CB TRP A 65 -8.865 -9.856 -8.515 1.00 0.00 C ATOM 962 CG TRP A 65 -9.098 -8.401 -8.241 1.00 0.00 C ATOM 963 CD1 TRP A 65 -9.705 -7.861 -7.143 1.00 0.00 C ATOM 964 CD2 TRP A 65 -8.729 -7.301 -9.080 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.736 -6.491 -7.249 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.142 -6.123 -8.428 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.088 -7.197 -10.317 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -8.936 -4.859 -8.974 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -7.884 -5.942 -10.858 1.00 0.00 C ATOM 970 CH2 TRP A 65 -8.306 -4.786 -10.186 1.00 0.00 C ATOM 0 H TRP A 65 -7.074 -10.428 -6.834 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.982 -10.404 -6.762 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.843 -9.993 -8.868 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.526 -10.177 -9.320 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -10.102 -8.427 -6.314 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -10.136 -5.852 -6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.758 -8.082 -10.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.262 -3.968 -8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.391 -5.850 -11.815 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.130 -3.819 -10.634 1.00 0.00 H new