USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 576 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 31 ASN : amide:sc= -3.02! C(o=-3!,f=-8.5!) USER MOD Single : A 37 HIS : no HD1:sc= -9.85! C(o=-9.9!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.4!) USER MOD Single : B 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -3.03! C(o=-3!,f=-8.2!) USER MOD Single : C 37 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -3.11! C(o=-3.1!,f=-7.8!) USER MOD Single : D 37 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.549 12.658 1.271 1.00 0.00 N ATOM 124 CA VAL A 28 -6.208 12.199 2.486 1.00 0.00 C ATOM 125 C VAL A 28 -6.836 10.828 2.268 1.00 0.00 C ATOM 126 O VAL A 28 -6.744 9.947 3.122 1.00 0.00 O ATOM 127 CB VAL A 28 -7.287 13.200 2.907 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.049 12.654 4.116 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.630 14.531 3.279 1.00 0.00 C ATOM 0 HA VAL A 28 -5.461 12.121 3.276 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.980 13.354 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.817 13.368 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.518 11.706 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.356 12.499 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.398 15.244 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.936 14.376 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.088 14.922 2.418 1.00 0.00 H new ATOM 139 N ALA A 29 -7.492 10.659 1.124 1.00 0.00 N ATOM 140 CA ALA A 29 -8.147 9.395 0.809 1.00 0.00 C ATOM 141 C ALA A 29 -7.124 8.267 0.720 1.00 0.00 C ATOM 142 O ALA A 29 -7.369 7.158 1.191 1.00 0.00 O ATOM 143 CB ALA A 29 -8.894 9.509 -0.522 1.00 0.00 C ATOM 0 H ALA A 29 -7.584 11.376 0.405 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.855 9.169 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.380 8.560 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.647 10.294 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.188 9.754 -1.316 1.00 0.00 H new ATOM 149 N ALA A 30 -5.977 8.560 0.119 1.00 0.00 N ATOM 150 CA ALA A 30 -4.928 7.559 -0.027 1.00 0.00 C ATOM 151 C ALA A 30 -4.497 7.033 1.339 1.00 0.00 C ATOM 152 O ALA A 30 -4.315 5.828 1.519 1.00 0.00 O ATOM 153 CB ALA A 30 -3.721 8.171 -0.741 1.00 0.00 C ATOM 0 H ALA A 30 -5.751 9.475 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.320 6.731 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.940 7.418 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.022 8.523 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.340 9.009 -0.158 1.00 0.00 H new ATOM 159 N ASN A 31 -4.337 7.941 2.295 1.00 0.00 N ATOM 160 CA ASN A 31 -3.929 7.551 3.640 1.00 0.00 C ATOM 161 C ASN A 31 -4.999 6.682 4.296 1.00 0.00 C ATOM 162 O ASN A 31 -4.692 5.661 4.909 1.00 0.00 O ATOM 163 CB ASN A 31 -3.691 8.798 4.494 1.00 0.00 C ATOM 164 CG ASN A 31 -3.228 8.396 5.892 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.610 7.341 6.397 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.420 9.179 6.550 1.00 0.00 N ATOM 0 H ASN A 31 -4.482 8.942 2.167 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.006 6.977 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.941 9.433 4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.608 9.383 4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.104 8.917 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.104 10.053 6.131 1.00 0.00 H new ATOM 173 N ILE A 32 -6.254 7.089 4.157 1.00 0.00 N ATOM 174 CA ILE A 32 -7.361 6.344 4.744 1.00 0.00 C ATOM 175 C ILE A 32 -7.435 4.943 4.145 1.00 0.00 C ATOM 176 O ILE A 32 -7.667 3.967 4.856 1.00 0.00 O ATOM 177 CB ILE A 32 -8.679 7.085 4.499 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.681 8.394 5.296 1.00 0.00 C ATOM 179 CG2 ILE A 32 -9.851 6.212 4.959 1.00 0.00 C ATOM 180 CD1 ILE A 32 -9.856 9.263 4.843 1.00 0.00 C ATOM 0 H ILE A 32 -6.531 7.927 3.645 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.193 6.258 5.818 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.781 7.301 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.760 8.183 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.742 8.926 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.788 6.740 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.851 5.278 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.749 5.997 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.859 10.195 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.756 9.484 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.791 8.730 5.017 1.00 0.00 H new ATOM 192 N ILE A 33 -7.250 4.856 2.838 1.00 0.00 N ATOM 193 CA ILE A 33 -7.306 3.571 2.154 1.00 0.00 C ATOM 194 C ILE A 33 -6.223 2.642 2.680 1.00 0.00 C ATOM 195 O ILE A 33 -6.462 1.451 2.883 1.00 0.00 O ATOM 196 CB ILE A 33 -7.124 3.778 0.644 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.337 4.545 0.081 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.016 2.411 -0.050 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.476 3.571 -0.252 1.00 0.00 C ATOM 0 H ILE A 33 -7.061 5.654 2.231 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.279 3.117 2.342 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.215 4.351 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.680 5.281 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.045 5.094 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.887 2.557 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.159 1.867 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.925 1.838 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.326 4.127 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.134 2.852 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.778 3.042 0.652 1.00 0.00 H new ATOM 211 N GLY A 34 -5.029 3.186 2.878 1.00 0.00 N ATOM 212 CA GLY A 34 -3.910 2.385 3.364 1.00 0.00 C ATOM 213 C GLY A 34 -4.284 1.641 4.639 1.00 0.00 C ATOM 214 O GLY A 34 -4.153 0.421 4.720 1.00 0.00 O ATOM 0 H GLY A 34 -4.810 4.168 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.609 1.671 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.052 3.030 3.553 1.00 0.00 H new ATOM 218 N ILE A 35 -4.766 2.377 5.629 1.00 0.00 N ATOM 219 CA ILE A 35 -5.173 1.774 6.890 1.00 0.00 C ATOM 220 C ILE A 35 -6.343 0.826 6.683 1.00 0.00 C ATOM 221 O ILE A 35 -6.397 -0.245 7.291 1.00 0.00 O ATOM 222 CB ILE A 35 -5.549 2.863 7.905 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.276 3.612 8.364 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.238 2.234 9.118 1.00 0.00 C ATOM 225 CD1 ILE A 35 -3.930 4.716 7.366 1.00 0.00 C ATOM 0 H ILE A 35 -4.885 3.389 5.585 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.332 1.202 7.281 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.233 3.567 7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.434 4.041 9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.444 2.913 8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.501 3.014 9.832 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.142 1.718 8.796 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.562 1.521 9.591 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.032 5.238 7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.753 4.277 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.758 5.422 7.303 1.00 0.00 H new ATOM 237 N LEU A 36 -7.289 1.242 5.857 1.00 0.00 N ATOM 238 CA LEU A 36 -8.468 0.432 5.612 1.00 0.00 C ATOM 239 C LEU A 36 -8.073 -0.943 5.084 1.00 0.00 C ATOM 240 O LEU A 36 -8.595 -1.968 5.534 1.00 0.00 O ATOM 241 CB LEU A 36 -9.374 1.132 4.589 1.00 0.00 C ATOM 242 CG LEU A 36 -10.582 0.242 4.268 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.338 -0.092 5.564 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.514 0.977 3.306 1.00 0.00 C ATOM 0 H LEU A 36 -7.264 2.127 5.350 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.005 0.307 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.712 2.090 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.814 1.343 3.678 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.237 -0.683 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.195 -0.724 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.673 -0.619 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.683 0.830 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.372 0.345 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.857 1.903 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.978 1.208 2.385 1.00 0.00 H new ATOM 256 N HIS A 37 -7.151 -0.959 4.132 1.00 0.00 N ATOM 257 CA HIS A 37 -6.686 -2.214 3.554 1.00 0.00 C ATOM 258 C HIS A 37 -6.043 -3.086 4.623 1.00 0.00 C ATOM 259 O HIS A 37 -6.217 -4.306 4.635 1.00 0.00 O ATOM 260 CB HIS A 37 -5.678 -1.936 2.440 1.00 0.00 C ATOM 261 CG HIS A 37 -5.210 -3.241 1.852 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.421 -3.578 0.527 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.535 -4.301 2.400 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.883 -4.795 0.329 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.330 -5.280 1.437 1.00 0.00 N ATOM 0 H HIS A 37 -6.712 -0.124 3.745 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.544 -2.742 3.138 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.135 -1.319 1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.829 -1.377 2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.211 -4.365 3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.898 -5.316 -0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.858 -6.177 1.554 1.00 0.00 H new ATOM 273 N LEU A 38 -5.288 -2.461 5.515 1.00 0.00 N ATOM 274 CA LEU A 38 -4.614 -3.199 6.574 1.00 0.00 C ATOM 275 C LEU A 38 -5.619 -3.924 7.449 1.00 0.00 C ATOM 276 O LEU A 38 -5.379 -5.044 7.868 1.00 0.00 O ATOM 277 CB LEU A 38 -3.782 -2.227 7.435 1.00 0.00 C ATOM 278 CG LEU A 38 -2.363 -2.090 6.851 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.745 -0.767 7.294 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.489 -3.252 7.354 1.00 0.00 C ATOM 0 H LEU A 38 -5.127 -1.454 5.528 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.957 -3.938 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.267 -1.251 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.729 -2.591 8.461 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.420 -2.115 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.742 -0.677 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.361 0.059 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.690 -0.737 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.484 -3.157 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.439 -3.225 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.924 -4.199 7.035 1.00 0.00 H new ATOM 292 N ILE A 39 -6.731 -3.277 7.727 1.00 0.00 N ATOM 293 CA ILE A 39 -7.753 -3.881 8.569 1.00 0.00 C ATOM 294 C ILE A 39 -8.274 -5.164 7.930 1.00 0.00 C ATOM 295 O ILE A 39 -8.434 -6.180 8.604 1.00 0.00 O ATOM 296 CB ILE A 39 -8.913 -2.897 8.759 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.439 -1.708 9.599 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.073 -3.597 9.475 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.516 -0.620 9.603 1.00 0.00 C ATOM 0 H ILE A 39 -6.953 -2.341 7.388 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.314 -4.120 9.538 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.251 -2.545 7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.230 -2.031 10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.508 -1.311 9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.896 -2.894 9.608 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.412 -4.443 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.738 -3.952 10.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.177 0.226 10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.703 -0.290 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.436 -1.020 10.029 1.00 0.00 H new ATOM 311 N LEU A 40 -8.541 -5.109 6.632 1.00 0.00 N ATOM 312 CA LEU A 40 -9.039 -6.281 5.918 1.00 0.00 C ATOM 313 C LEU A 40 -7.935 -7.318 5.740 1.00 0.00 C ATOM 314 O LEU A 40 -8.162 -8.517 5.905 1.00 0.00 O ATOM 315 CB LEU A 40 -9.580 -5.863 4.550 1.00 0.00 C ATOM 316 CG LEU A 40 -10.570 -4.708 4.723 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.084 -4.268 3.350 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.753 -5.167 5.589 1.00 0.00 C ATOM 0 H LEU A 40 -8.423 -4.276 6.056 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.841 -6.727 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.759 -5.558 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.071 -6.708 4.068 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.069 -3.872 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.789 -3.446 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.246 -3.939 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.584 -5.105 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.456 -4.343 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.255 -6.004 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.388 -5.480 6.567 1.00 0.00 H new ATOM 330 N TRP A 41 -6.745 -6.844 5.382 1.00 0.00 N ATOM 331 CA TRP A 41 -5.613 -7.733 5.169 1.00 0.00 C ATOM 332 C TRP A 41 -5.185 -8.390 6.475 1.00 0.00 C ATOM 333 O TRP A 41 -4.818 -9.566 6.499 1.00 0.00 O ATOM 334 CB TRP A 41 -4.447 -6.970 4.552 1.00 0.00 C ATOM 335 CG TRP A 41 -3.257 -7.874 4.475 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.047 -8.802 3.511 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.073 -7.895 5.324 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.845 -9.436 3.760 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.202 -8.898 4.856 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.684 -7.157 6.454 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.011 -9.158 5.484 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.457 -7.411 7.085 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.384 -8.413 6.602 1.00 0.00 C ATOM 0 H TRP A 41 -6.543 -5.855 5.235 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.922 -8.518 4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.714 -6.615 3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.213 -6.091 5.152 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.710 -9.012 2.684 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.478 -10.207 3.202 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.335 -6.387 6.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.661 -9.934 5.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.163 -6.829 7.946 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.325 -8.612 7.094 1.00 0.00 H new ATOM 354 N ILE A 42 -5.226 -7.623 7.550 1.00 0.00 N ATOM 355 CA ILE A 42 -4.840 -8.136 8.855 1.00 0.00 C ATOM 356 C ILE A 42 -5.783 -9.259 9.278 1.00 0.00 C ATOM 357 O ILE A 42 -5.343 -10.297 9.769 1.00 0.00 O ATOM 358 CB ILE A 42 -4.871 -7.003 9.893 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.621 -6.130 9.740 1.00 0.00 C ATOM 360 CG2 ILE A 42 -4.905 -7.594 11.307 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.814 -4.822 10.500 1.00 0.00 C ATOM 0 H ILE A 42 -5.521 -6.647 7.547 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.827 -8.533 8.793 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.763 -6.397 9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.747 -6.658 10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.435 -5.926 8.686 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.927 -6.786 12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.796 -8.212 11.422 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.017 -8.205 11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.924 -4.203 10.390 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.677 -4.292 10.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.979 -5.036 11.556 1.00 0.00 H new ATOM 373 N LEU A 43 -7.079 -9.031 9.106 1.00 0.00 N ATOM 374 CA LEU A 43 -8.073 -10.025 9.486 1.00 0.00 C ATOM 375 C LEU A 43 -7.912 -11.285 8.651 1.00 0.00 C ATOM 376 O LEU A 43 -8.046 -12.398 9.158 1.00 0.00 O ATOM 377 CB LEU A 43 -9.481 -9.453 9.294 1.00 0.00 C ATOM 378 CG LEU A 43 -9.735 -8.354 10.333 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.999 -7.578 9.956 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.914 -8.981 11.729 1.00 0.00 C ATOM 0 H LEU A 43 -7.464 -8.174 8.709 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.926 -10.280 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.586 -9.048 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.223 -10.244 9.398 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.881 -7.676 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.180 -6.797 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.868 -7.125 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.850 -8.259 9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.094 -8.194 12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.763 -9.664 11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.012 -9.529 12.000 1.00 0.00 H new ATOM 633 N VAL B 28 -0.168 11.676 -7.545 1.00 0.00 N ATOM 634 CA VAL B 28 -1.431 11.233 -8.122 1.00 0.00 C ATOM 635 C VAL B 28 -1.349 9.763 -8.522 1.00 0.00 C ATOM 636 O VAL B 28 -2.278 8.992 -8.285 1.00 0.00 O ATOM 637 CB VAL B 28 -1.774 12.082 -9.346 1.00 0.00 C ATOM 638 CG1 VAL B 28 -3.044 11.538 -10.007 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.010 13.531 -8.912 1.00 0.00 C ATOM 0 HA VAL B 28 -2.213 11.350 -7.372 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.948 12.043 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.288 12.144 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.880 10.506 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.869 11.577 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.255 14.137 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.836 13.568 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.108 13.921 -8.441 1.00 0.00 H new ATOM 649 N ALA B 29 -0.237 9.388 -9.145 1.00 0.00 N ATOM 650 CA ALA B 29 -0.049 8.011 -9.586 1.00 0.00 C ATOM 651 C ALA B 29 -0.050 7.059 -8.397 1.00 0.00 C ATOM 652 O ALA B 29 -0.620 5.972 -8.463 1.00 0.00 O ATOM 653 CB ALA B 29 1.276 7.881 -10.342 1.00 0.00 C ATOM 0 H ALA B 29 0.542 10.012 -9.355 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.875 7.748 -10.247 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.409 6.849 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.265 8.538 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.099 8.163 -9.685 1.00 0.00 H new ATOM 659 N ALA B 30 0.593 7.474 -7.311 1.00 0.00 N ATOM 660 CA ALA B 30 0.661 6.644 -6.115 1.00 0.00 C ATOM 661 C ALA B 30 -0.739 6.324 -5.604 1.00 0.00 C ATOM 662 O ALA B 30 -1.027 5.185 -5.228 1.00 0.00 O ATOM 663 CB ALA B 30 1.451 7.368 -5.024 1.00 0.00 C ATOM 0 H ALA B 30 1.070 8.372 -7.234 1.00 0.00 H new ATOM 0 HA ALA B 30 1.163 5.711 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.498 6.742 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.461 7.570 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.957 8.309 -4.781 1.00 0.00 H new ATOM 669 N ASN B 31 -1.606 7.330 -5.595 1.00 0.00 N ATOM 670 CA ASN B 31 -2.975 7.137 -5.128 1.00 0.00 C ATOM 671 C ASN B 31 -3.722 6.169 -6.042 1.00 0.00 C ATOM 672 O ASN B 31 -4.422 5.272 -5.574 1.00 0.00 O ATOM 673 CB ASN B 31 -3.708 8.480 -5.102 1.00 0.00 C ATOM 674 CG ASN B 31 -5.125 8.292 -4.568 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.723 7.230 -4.744 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.700 9.265 -3.916 1.00 0.00 N ATOM 0 H ASN B 31 -1.389 8.278 -5.902 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.941 6.718 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.165 9.188 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.742 8.904 -6.105 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.645 9.146 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.204 10.144 -3.771 1.00 0.00 H new ATOM 683 N ILE B 32 -3.562 6.352 -7.348 1.00 0.00 N ATOM 684 CA ILE B 32 -4.229 5.493 -8.321 1.00 0.00 C ATOM 685 C ILE B 32 -3.764 4.048 -8.162 1.00 0.00 C ATOM 686 O ILE B 32 -4.566 3.118 -8.230 1.00 0.00 O ATOM 687 CB ILE B 32 -3.936 5.982 -9.741 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.605 7.343 -9.958 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.493 4.977 -10.753 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.083 7.964 -11.255 1.00 0.00 C ATOM 0 H ILE B 32 -2.980 7.083 -7.756 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.304 5.536 -8.144 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.859 6.077 -9.877 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.687 7.225 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.395 8.002 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.284 5.325 -11.764 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.022 4.006 -10.599 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.570 4.883 -10.617 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.558 8.933 -11.411 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.003 8.096 -11.186 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.316 7.306 -12.093 1.00 0.00 H new ATOM 702 N ILE B 33 -2.468 3.872 -7.966 1.00 0.00 N ATOM 703 CA ILE B 33 -1.905 2.539 -7.810 1.00 0.00 C ATOM 704 C ILE B 33 -2.497 1.850 -6.590 1.00 0.00 C ATOM 705 O ILE B 33 -2.804 0.658 -6.628 1.00 0.00 O ATOM 706 CB ILE B 33 -0.381 2.630 -7.666 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.230 3.137 -8.989 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.189 1.239 -7.343 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.444 1.969 -9.962 1.00 0.00 C ATOM 0 H ILE B 33 -1.788 4.630 -7.911 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.150 1.953 -8.696 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.134 3.321 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.429 3.879 -9.441 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.180 3.633 -8.792 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.272 1.304 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.242 0.877 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.058 0.548 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE B 33 0.876 2.343 -10.890 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.121 1.242 -9.514 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.513 1.491 -10.173 1.00 0.00 H new ATOM 721 N GLY B 34 -2.637 2.601 -5.505 1.00 0.00 N ATOM 722 CA GLY B 34 -3.179 2.044 -4.271 1.00 0.00 C ATOM 723 C GLY B 34 -4.523 1.369 -4.520 1.00 0.00 C ATOM 724 O GLY B 34 -4.712 0.199 -4.192 1.00 0.00 O ATOM 0 H GLY B 34 -2.386 3.588 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.477 1.322 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -3.297 2.836 -3.532 1.00 0.00 H new ATOM 728 N ILE B 35 -5.445 2.106 -5.120 1.00 0.00 N ATOM 729 CA ILE B 35 -6.763 1.563 -5.427 1.00 0.00 C ATOM 730 C ILE B 35 -6.656 0.423 -6.428 1.00 0.00 C ATOM 731 O ILE B 35 -7.357 -0.583 -6.307 1.00 0.00 O ATOM 732 CB ILE B 35 -7.677 2.666 -5.981 1.00 0.00 C ATOM 733 CG1 ILE B 35 -8.051 3.651 -4.850 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.951 2.047 -6.562 1.00 0.00 C ATOM 735 CD1 ILE B 35 -6.948 4.695 -4.679 1.00 0.00 C ATOM 0 H ILE B 35 -5.308 3.076 -5.403 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.195 1.174 -4.505 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.148 3.202 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.995 4.143 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.196 3.107 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.593 2.836 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.688 1.361 -7.367 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.480 1.502 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.220 5.385 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -6.012 4.197 -4.425 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.824 5.249 -5.610 1.00 0.00 H new ATOM 747 N LEU B 36 -5.809 0.604 -7.427 1.00 0.00 N ATOM 748 CA LEU B 36 -5.653 -0.405 -8.458 1.00 0.00 C ATOM 749 C LEU B 36 -5.251 -1.742 -7.843 1.00 0.00 C ATOM 750 O LEU B 36 -5.799 -2.792 -8.194 1.00 0.00 O ATOM 751 CB LEU B 36 -4.578 0.038 -9.461 1.00 0.00 C ATOM 752 CG LEU B 36 -4.357 -1.059 -10.510 1.00 0.00 C ATOM 753 CD1 LEU B 36 -5.689 -1.389 -11.202 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.347 -0.574 -11.549 1.00 0.00 C ATOM 0 H LEU B 36 -5.225 1.432 -7.545 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.607 -0.525 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.883 0.963 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.645 0.246 -8.938 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.974 -1.955 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.529 -2.169 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.408 -1.738 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.077 -0.495 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.190 -1.353 -12.295 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.729 0.323 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.401 -0.345 -11.058 1.00 0.00 H new ATOM 766 N HIS B 37 -4.296 -1.698 -6.924 1.00 0.00 N ATOM 767 CA HIS B 37 -3.833 -2.908 -6.260 1.00 0.00 C ATOM 768 C HIS B 37 -4.972 -3.564 -5.490 1.00 0.00 C ATOM 769 O HIS B 37 -5.099 -4.788 -5.469 1.00 0.00 O ATOM 770 CB HIS B 37 -2.691 -2.577 -5.302 1.00 0.00 C ATOM 771 CG HIS B 37 -2.218 -3.836 -4.627 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.933 -4.327 -4.785 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.847 -4.717 -3.791 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.837 -5.455 -4.062 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.974 -5.739 -3.434 1.00 0.00 N ATOM 0 H HIS B 37 -3.829 -0.843 -6.623 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.476 -3.602 -7.021 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.869 -2.113 -5.847 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.026 -1.856 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.871 -4.632 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.056 -6.059 -3.998 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.164 -6.533 -2.823 1.00 0.00 H new ATOM 783 N LEU B 38 -5.791 -2.746 -4.845 1.00 0.00 N ATOM 784 CA LEU B 38 -6.905 -3.263 -4.065 1.00 0.00 C ATOM 785 C LEU B 38 -7.855 -4.057 -4.942 1.00 0.00 C ATOM 786 O LEU B 38 -8.376 -5.076 -4.526 1.00 0.00 O ATOM 787 CB LEU B 38 -7.664 -2.097 -3.400 1.00 0.00 C ATOM 788 CG LEU B 38 -7.045 -1.782 -2.026 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.363 -0.345 -1.628 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.627 -2.740 -0.973 1.00 0.00 C ATOM 0 H LEU B 38 -5.706 -1.730 -4.846 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.508 -3.925 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.622 -1.214 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.716 -2.357 -3.283 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.964 -1.908 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.921 -0.131 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.952 0.338 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.444 -0.213 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.190 -2.519 0.001 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.708 -2.612 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.395 -3.769 -1.249 1.00 0.00 H new ATOM 802 N ILE B 39 -8.081 -3.578 -6.147 1.00 0.00 N ATOM 803 CA ILE B 39 -8.987 -4.259 -7.062 1.00 0.00 C ATOM 804 C ILE B 39 -8.475 -5.663 -7.366 1.00 0.00 C ATOM 805 O ILE B 39 -9.242 -6.624 -7.361 1.00 0.00 O ATOM 806 CB ILE B 39 -9.097 -3.462 -8.366 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.818 -2.138 -8.094 1.00 0.00 C ATOM 808 CG2 ILE B 39 -9.889 -4.270 -9.400 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.735 -1.246 -9.335 1.00 0.00 C ATOM 0 H ILE B 39 -7.657 -2.728 -6.518 1.00 0.00 H new ATOM 0 HA ILE B 39 -9.969 -4.333 -6.594 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.098 -3.262 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.861 -2.326 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.365 -1.634 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -9.965 -3.700 -10.326 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.377 -5.212 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -10.889 -4.473 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.248 -0.304 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.690 -1.048 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.208 -1.750 -10.178 1.00 0.00 H new ATOM 821 N LEU B 40 -7.181 -5.773 -7.633 1.00 0.00 N ATOM 822 CA LEU B 40 -6.583 -7.072 -7.933 1.00 0.00 C ATOM 823 C LEU B 40 -6.483 -7.928 -6.675 1.00 0.00 C ATOM 824 O LEU B 40 -6.761 -9.128 -6.704 1.00 0.00 O ATOM 825 CB LEU B 40 -5.193 -6.875 -8.537 1.00 0.00 C ATOM 826 CG LEU B 40 -5.277 -5.887 -9.703 1.00 0.00 C ATOM 827 CD1 LEU B 40 -3.877 -5.653 -10.276 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.187 -6.458 -10.799 1.00 0.00 C ATOM 0 H LEU B 40 -6.529 -4.989 -7.649 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.222 -7.588 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.505 -6.501 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.797 -7.830 -8.883 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.688 -4.943 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -3.937 -4.949 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.230 -5.244 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.466 -6.598 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.245 -5.753 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.778 -7.404 -11.155 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.185 -6.624 -10.393 1.00 0.00 H new ATOM 840 N TRP B 41 -6.068 -7.303 -5.576 1.00 0.00 N ATOM 841 CA TRP B 41 -5.922 -8.012 -4.314 1.00 0.00 C ATOM 842 C TRP B 41 -7.276 -8.466 -3.789 1.00 0.00 C ATOM 843 O TRP B 41 -7.404 -9.559 -3.235 1.00 0.00 O ATOM 844 CB TRP B 41 -5.219 -7.131 -3.289 1.00 0.00 C ATOM 845 CG TRP B 41 -5.211 -7.832 -1.967 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.332 -8.800 -1.607 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.043 -7.583 -0.798 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.623 -9.203 -0.317 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.656 -8.470 0.226 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.096 -6.691 -0.537 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.289 -8.471 1.464 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.731 -6.683 0.713 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.330 -7.576 1.708 1.00 0.00 C ATOM 0 H TRP B 41 -5.829 -6.312 -5.537 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.311 -8.898 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.199 -6.921 -3.610 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.730 -6.172 -3.203 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.537 -9.191 -2.225 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.133 -9.951 0.173 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.419 -6.005 -1.306 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.976 -9.162 2.233 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.532 -5.985 0.906 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.826 -7.574 2.667 1.00 0.00 H new ATOM 864 N ILE B 42 -8.277 -7.618 -3.958 1.00 0.00 N ATOM 865 CA ILE B 42 -9.618 -7.940 -3.498 1.00 0.00 C ATOM 866 C ILE B 42 -10.156 -9.157 -4.245 1.00 0.00 C ATOM 867 O ILE B 42 -10.726 -10.063 -3.641 1.00 0.00 O ATOM 868 CB ILE B 42 -10.550 -6.736 -3.716 1.00 0.00 C ATOM 869 CG1 ILE B 42 -10.305 -5.690 -2.624 1.00 0.00 C ATOM 870 CG2 ILE B 42 -12.012 -7.192 -3.663 1.00 0.00 C ATOM 871 CD1 ILE B 42 -10.951 -4.367 -3.027 1.00 0.00 C ATOM 0 H ILE B 42 -8.188 -6.707 -4.407 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.577 -8.172 -2.434 1.00 0.00 H new ATOM 0 HB ILE B 42 -10.343 -6.299 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.719 -6.035 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -9.234 -5.552 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -12.667 -6.334 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -12.191 -7.931 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -12.220 -7.635 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -10.775 -3.624 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.516 -4.020 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.024 -4.510 -3.156 1.00 0.00 H new ATOM 883 N LEU B 43 -9.987 -9.156 -5.560 1.00 0.00 N ATOM 884 CA LEU B 43 -10.469 -10.259 -6.381 1.00 0.00 C ATOM 885 C LEU B 43 -9.753 -11.547 -6.015 1.00 0.00 C ATOM 886 O LEU B 43 -10.364 -12.614 -5.950 1.00 0.00 O ATOM 887 CB LEU B 43 -10.244 -9.945 -7.861 1.00 0.00 C ATOM 888 CG LEU B 43 -11.177 -8.809 -8.295 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.742 -8.287 -9.666 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.629 -9.320 -8.376 1.00 0.00 C ATOM 0 H LEU B 43 -9.523 -8.410 -6.079 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.536 -10.387 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.205 -9.660 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.432 -10.833 -8.464 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.123 -8.004 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.405 -7.479 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.720 -7.914 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.791 -9.096 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.285 -8.506 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.690 -10.130 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -12.941 -9.686 -7.398 1.00 0.00 H new ATOM 1143 N VAL C 28 8.360 10.827 -1.975 1.00 0.00 N ATOM 1144 CA VAL C 28 8.885 10.149 -3.152 1.00 0.00 C ATOM 1145 C VAL C 28 9.170 8.684 -2.843 1.00 0.00 C ATOM 1146 O VAL C 28 8.866 7.799 -3.642 1.00 0.00 O ATOM 1147 CB VAL C 28 10.167 10.838 -3.625 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.773 10.050 -4.790 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.841 12.260 -4.088 1.00 0.00 C ATOM 0 HA VAL C 28 8.137 10.200 -3.943 1.00 0.00 H new ATOM 0 HB VAL C 28 10.881 10.877 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.686 10.542 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.006 9.037 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.059 10.010 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.754 12.751 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.126 12.220 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.411 12.823 -3.260 1.00 0.00 H new ATOM 1159 N ALA C 29 9.772 8.437 -1.683 1.00 0.00 N ATOM 1160 CA ALA C 29 10.106 7.077 -1.283 1.00 0.00 C ATOM 1161 C ALA C 29 8.845 6.234 -1.135 1.00 0.00 C ATOM 1162 O ALA C 29 8.818 5.069 -1.527 1.00 0.00 O ATOM 1163 CB ALA C 29 10.865 7.096 0.046 1.00 0.00 C ATOM 0 H ALA C 29 10.036 9.156 -1.009 1.00 0.00 H new ATOM 0 HA ALA C 29 10.734 6.637 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.111 6.075 0.339 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.783 7.673 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.242 7.553 0.814 1.00 0.00 H new ATOM 1169 N ALA C 30 7.802 6.831 -0.570 1.00 0.00 N ATOM 1170 CA ALA C 30 6.545 6.120 -0.372 1.00 0.00 C ATOM 1171 C ALA C 30 5.992 5.627 -1.705 1.00 0.00 C ATOM 1172 O ALA C 30 5.533 4.490 -1.813 1.00 0.00 O ATOM 1173 CB ALA C 30 5.525 7.043 0.295 1.00 0.00 C ATOM 0 H ALA C 30 7.801 7.797 -0.243 1.00 0.00 H new ATOM 0 HA ALA C 30 6.733 5.260 0.270 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.588 6.505 0.440 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.908 7.371 1.261 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.350 7.912 -0.340 1.00 0.00 H new ATOM 1179 N ASN C 31 6.042 6.489 -2.717 1.00 0.00 N ATOM 1180 CA ASN C 31 5.544 6.124 -4.037 1.00 0.00 C ATOM 1181 C ASN C 31 6.369 4.984 -4.627 1.00 0.00 C ATOM 1182 O ASN C 31 5.824 4.033 -5.184 1.00 0.00 O ATOM 1183 CB ASN C 31 5.607 7.336 -4.969 1.00 0.00 C ATOM 1184 CG ASN C 31 5.053 6.971 -6.343 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.151 5.820 -6.771 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.468 7.887 -7.065 1.00 0.00 N ATOM 0 H ASN C 31 6.418 7.435 -2.649 1.00 0.00 H new ATOM 0 HA ASN C 31 4.510 5.793 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.034 8.161 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.637 7.679 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.092 7.650 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.386 8.840 -6.711 1.00 0.00 H new ATOM 1193 N ILE C 32 7.686 5.083 -4.493 1.00 0.00 N ATOM 1194 CA ILE C 32 8.579 4.055 -5.018 1.00 0.00 C ATOM 1195 C ILE C 32 8.313 2.719 -4.333 1.00 0.00 C ATOM 1196 O ILE C 32 8.290 1.672 -4.979 1.00 0.00 O ATOM 1197 CB ILE C 32 10.037 4.469 -4.805 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.356 5.680 -5.687 1.00 0.00 C ATOM 1199 CG2 ILE C 32 10.960 3.309 -5.185 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.708 6.266 -5.279 1.00 0.00 C ATOM 0 H ILE C 32 8.158 5.859 -4.029 1.00 0.00 H new ATOM 0 HA ILE C 32 8.392 3.944 -6.086 1.00 0.00 H new ATOM 0 HB ILE C 32 10.191 4.728 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.378 5.384 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.575 6.434 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE C 32 11.998 3.605 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.734 2.445 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.806 3.050 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.935 7.128 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.670 6.577 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.484 5.511 -5.404 1.00 0.00 H new ATOM 1212 N ILE C 33 8.127 2.762 -3.023 1.00 0.00 N ATOM 1213 CA ILE C 33 7.875 1.548 -2.259 1.00 0.00 C ATOM 1214 C ILE C 33 6.598 0.874 -2.736 1.00 0.00 C ATOM 1215 O ILE C 33 6.542 -0.348 -2.862 1.00 0.00 O ATOM 1216 CB ILE C 33 7.755 1.888 -0.767 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.121 2.371 -0.240 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.321 0.635 0.011 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.991 1.172 0.165 1.00 0.00 C ATOM 0 H ILE C 33 8.145 3.618 -2.469 1.00 0.00 H new ATOM 0 HA ILE C 33 8.709 0.863 -2.409 1.00 0.00 H new ATOM 0 HB ILE C 33 7.013 2.675 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE C 33 9.629 2.954 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE C 33 8.976 3.029 0.617 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.236 0.876 1.071 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.356 0.291 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.063 -0.152 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.952 1.528 0.535 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.488 0.606 0.949 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.151 0.530 -0.701 1.00 0.00 H new ATOM 1231 N GLY C 34 5.571 1.676 -2.981 1.00 0.00 N ATOM 1232 CA GLY C 34 4.289 1.141 -3.431 1.00 0.00 C ATOM 1233 C GLY C 34 4.468 0.243 -4.650 1.00 0.00 C ATOM 1234 O GLY C 34 4.056 -0.915 -4.648 1.00 0.00 O ATOM 0 H GLY C 34 5.597 2.690 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.824 0.575 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.614 1.961 -3.675 1.00 0.00 H new ATOM 1238 N ILE C 35 5.103 0.778 -5.681 1.00 0.00 N ATOM 1239 CA ILE C 35 5.346 0.011 -6.897 1.00 0.00 C ATOM 1240 C ILE C 35 6.255 -1.175 -6.613 1.00 0.00 C ATOM 1241 O ILE C 35 6.046 -2.266 -7.145 1.00 0.00 O ATOM 1242 CB ILE C 35 5.972 0.907 -7.975 1.00 0.00 C ATOM 1243 CG1 ILE C 35 4.917 1.911 -8.498 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.483 0.051 -9.136 1.00 0.00 C ATOM 1245 CD1 ILE C 35 4.857 3.131 -7.582 1.00 0.00 C ATOM 0 H ILE C 35 5.458 1.734 -5.703 1.00 0.00 H new ATOM 0 HA ILE C 35 4.390 -0.365 -7.260 1.00 0.00 H new ATOM 0 HB ILE C 35 6.808 1.454 -7.539 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.169 2.220 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE C 35 3.939 1.432 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE C 35 6.925 0.695 -9.896 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.235 -0.647 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.653 -0.505 -9.571 1.00 0.00 H new ATOM 0 HD11 ILE C 35 4.112 3.832 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE C 35 4.584 2.817 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE C 35 5.833 3.617 -7.558 1.00 0.00 H new ATOM 1257 N LEU C 36 7.279 -0.942 -5.808 1.00 0.00 N ATOM 1258 CA LEU C 36 8.228 -1.994 -5.498 1.00 0.00 C ATOM 1259 C LEU C 36 7.518 -3.198 -4.888 1.00 0.00 C ATOM 1260 O LEU C 36 7.774 -4.345 -5.269 1.00 0.00 O ATOM 1261 CB LEU C 36 9.279 -1.469 -4.509 1.00 0.00 C ATOM 1262 CG LEU C 36 10.238 -2.601 -4.114 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.884 -3.193 -5.375 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.326 -2.049 -3.194 1.00 0.00 C ATOM 0 H LEU C 36 7.472 -0.045 -5.363 1.00 0.00 H new ATOM 0 HA LEU C 36 8.713 -2.304 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.837 -0.649 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU C 36 8.788 -1.070 -3.621 1.00 0.00 H new ATOM 0 HG LEU C 36 9.682 -3.381 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.564 -3.996 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.108 -3.589 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.439 -2.415 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.007 -2.852 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.881 -1.268 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.867 -1.632 -2.297 1.00 0.00 H new ATOM 1276 N HIS C 37 6.622 -2.933 -3.947 1.00 0.00 N ATOM 1277 CA HIS C 37 5.871 -4.000 -3.297 1.00 0.00 C ATOM 1278 C HIS C 37 5.029 -4.756 -4.315 1.00 0.00 C ATOM 1279 O HIS C 37 4.897 -5.978 -4.243 1.00 0.00 O ATOM 1280 CB HIS C 37 4.968 -3.418 -2.211 1.00 0.00 C ATOM 1281 CG HIS C 37 4.202 -4.531 -1.548 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.346 -4.838 -0.207 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.277 -5.418 -2.033 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.528 -5.872 0.061 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.853 -6.261 -1.015 1.00 0.00 N ATOM 0 H HIS C 37 6.398 -1.994 -3.618 1.00 0.00 H new ATOM 0 HA HIS C 37 6.579 -4.693 -2.843 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.566 -2.884 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.278 -2.695 -2.646 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.930 -5.456 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.432 -6.331 1.034 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.170 -7.016 -1.079 1.00 0.00 H new ATOM 1293 N LEU C 38 4.451 -4.024 -5.258 1.00 0.00 N ATOM 1294 CA LEU C 38 3.616 -4.641 -6.278 1.00 0.00 C ATOM 1295 C LEU C 38 4.414 -5.643 -7.092 1.00 0.00 C ATOM 1296 O LEU C 38 3.908 -6.695 -7.446 1.00 0.00 O ATOM 1297 CB LEU C 38 3.040 -3.555 -7.207 1.00 0.00 C ATOM 1298 CG LEU C 38 1.692 -3.053 -6.657 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.401 -1.657 -7.192 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.572 -4.011 -7.098 1.00 0.00 C ATOM 0 H LEU C 38 4.544 -3.011 -5.337 1.00 0.00 H new ATOM 0 HA LEU C 38 2.799 -5.168 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.741 -2.724 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.905 -3.957 -8.211 1.00 0.00 H new ATOM 0 HG LEU C 38 1.740 -3.018 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.446 -1.308 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.192 -0.976 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.356 -1.687 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.383 -3.657 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.531 -4.046 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.774 -5.010 -6.711 1.00 0.00 H new ATOM 1312 N ILE C 39 5.650 -5.304 -7.394 1.00 0.00 N ATOM 1313 CA ILE C 39 6.493 -6.189 -8.184 1.00 0.00 C ATOM 1314 C ILE C 39 6.688 -7.517 -7.461 1.00 0.00 C ATOM 1315 O ILE C 39 6.598 -8.581 -8.070 1.00 0.00 O ATOM 1316 CB ILE C 39 7.856 -5.529 -8.418 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.686 -4.318 -9.340 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.812 -6.536 -9.070 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.994 -3.526 -9.394 1.00 0.00 C ATOM 0 H ILE C 39 6.094 -4.431 -7.109 1.00 0.00 H new ATOM 0 HA ILE C 39 6.007 -6.375 -9.142 1.00 0.00 H new ATOM 0 HB ILE C 39 8.268 -5.205 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.407 -4.647 -10.341 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.879 -3.682 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.780 -6.064 -9.235 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.936 -7.398 -8.414 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.400 -6.863 -10.025 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.871 -2.665 -10.051 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.254 -3.184 -8.392 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.790 -4.164 -9.778 1.00 0.00 H new ATOM 1331 N LEU C 40 6.958 -7.448 -6.163 1.00 0.00 N ATOM 1332 CA LEU C 40 7.158 -8.658 -5.372 1.00 0.00 C ATOM 1333 C LEU C 40 5.834 -9.382 -5.143 1.00 0.00 C ATOM 1334 O LEU C 40 5.761 -10.608 -5.235 1.00 0.00 O ATOM 1335 CB LEU C 40 7.790 -8.300 -4.028 1.00 0.00 C ATOM 1336 CG LEU C 40 9.028 -7.430 -4.260 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.638 -7.040 -2.911 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.062 -8.213 -5.082 1.00 0.00 C ATOM 0 H LEU C 40 7.043 -6.577 -5.639 1.00 0.00 H new ATOM 0 HA LEU C 40 7.824 -9.322 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.070 -7.768 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.066 -9.207 -3.491 1.00 0.00 H new ATOM 0 HG LEU C 40 8.740 -6.530 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.520 -6.421 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU C 40 8.906 -6.481 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.924 -7.940 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.942 -7.592 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.350 -9.115 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.629 -8.489 -6.043 1.00 0.00 H new ATOM 1350 N TRP C 41 4.799 -8.613 -4.822 1.00 0.00 N ATOM 1351 CA TRP C 41 3.485 -9.184 -4.565 1.00 0.00 C ATOM 1352 C TRP C 41 2.904 -9.798 -5.831 1.00 0.00 C ATOM 1353 O TRP C 41 2.264 -10.850 -5.783 1.00 0.00 O ATOM 1354 CB TRP C 41 2.544 -8.123 -4.006 1.00 0.00 C ATOM 1355 CG TRP C 41 1.171 -8.704 -3.883 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.747 -9.485 -2.861 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.015 -8.499 -4.745 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.576 -9.823 -3.082 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.072 -9.225 -4.221 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.187 -7.770 -5.930 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.314 -9.228 -4.847 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.440 -7.764 -6.559 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.498 -8.496 -6.019 1.00 0.00 C ATOM 0 H TRP C 41 4.845 -7.598 -4.734 1.00 0.00 H new ATOM 0 HA TRP C 41 3.596 -9.975 -3.824 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.897 -7.782 -3.033 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.527 -7.252 -4.662 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.343 -9.793 -2.014 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.118 -10.439 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.630 -7.210 -6.360 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.132 -9.795 -4.427 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.587 -7.192 -7.463 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.460 -8.495 -6.509 1.00 0.00 H new ATOM 1374 N ILE C 42 3.128 -9.136 -6.952 1.00 0.00 N ATOM 1375 CA ILE C 42 2.624 -9.627 -8.225 1.00 0.00 C ATOM 1376 C ILE C 42 3.266 -10.968 -8.564 1.00 0.00 C ATOM 1377 O ILE C 42 2.586 -11.902 -8.985 1.00 0.00 O ATOM 1378 CB ILE C 42 2.926 -8.605 -9.334 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.928 -7.447 -9.254 1.00 0.00 C ATOM 1380 CG2 ILE C 42 2.811 -9.278 -10.707 1.00 0.00 C ATOM 1381 CD1 ILE C 42 2.430 -6.277 -10.097 1.00 0.00 C ATOM 0 H ILE C 42 3.652 -8.263 -7.009 1.00 0.00 H new ATOM 0 HA ILE C 42 1.545 -9.764 -8.149 1.00 0.00 H new ATOM 0 HB ILE C 42 3.939 -8.225 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE C 42 0.950 -7.771 -9.610 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.802 -7.134 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.026 -8.549 -11.489 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.525 -10.099 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE C 42 1.800 -9.664 -10.839 1.00 0.00 H new ATOM 0 HD11 ILE C 42 1.718 -5.454 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE C 42 3.398 -5.946 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.533 -6.594 -11.135 1.00 0.00 H new ATOM 1393 N LEU C 43 4.580 -11.048 -8.398 1.00 0.00 N ATOM 1394 CA LEU C 43 5.304 -12.273 -8.700 1.00 0.00 C ATOM 1395 C LEU C 43 4.848 -13.401 -7.789 1.00 0.00 C ATOM 1396 O LEU C 43 4.694 -14.542 -8.225 1.00 0.00 O ATOM 1397 CB LEU C 43 6.808 -12.048 -8.528 1.00 0.00 C ATOM 1398 CG LEU C 43 7.318 -11.113 -9.631 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.731 -10.636 -9.285 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.343 -11.855 -10.981 1.00 0.00 C ATOM 0 H LEU C 43 5.162 -10.283 -8.058 1.00 0.00 H new ATOM 0 HA LEU C 43 5.096 -12.551 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU C 43 7.012 -11.616 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU C 43 7.336 -13.001 -8.572 1.00 0.00 H new ATOM 0 HG LEU C 43 6.650 -10.255 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.093 -9.971 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.712 -10.100 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.395 -11.496 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.707 -11.183 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.004 -12.719 -10.909 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.336 -12.189 -11.231 1.00 0.00 H new ATOM 1653 N VAL D 28 3.191 11.748 6.608 1.00 0.00 N ATOM 1654 CA VAL D 28 4.308 11.046 7.225 1.00 0.00 C ATOM 1655 C VAL D 28 3.864 9.677 7.734 1.00 0.00 C ATOM 1656 O VAL D 28 4.566 8.681 7.560 1.00 0.00 O ATOM 1657 CB VAL D 28 4.869 11.869 8.385 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.963 11.072 9.099 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.459 13.173 7.845 1.00 0.00 C ATOM 0 HA VAL D 28 5.085 10.907 6.473 1.00 0.00 H new ATOM 0 HB VAL D 28 4.068 12.095 9.089 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.361 11.661 9.925 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.543 10.143 9.484 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.765 10.844 8.396 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.859 13.761 8.671 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.259 12.946 7.140 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.680 13.743 7.339 1.00 0.00 H new ATOM 1669 N ALA D 29 2.703 9.640 8.377 1.00 0.00 N ATOM 1670 CA ALA D 29 2.182 8.392 8.920 1.00 0.00 C ATOM 1671 C ALA D 29 1.932 7.383 7.805 1.00 0.00 C ATOM 1672 O ALA D 29 2.211 6.196 7.957 1.00 0.00 O ATOM 1673 CB ALA D 29 0.875 8.654 9.671 1.00 0.00 C ATOM 0 H ALA D 29 2.108 10.454 8.534 1.00 0.00 H new ATOM 0 HA ALA D 29 2.922 7.982 9.607 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.492 7.716 10.074 1.00 0.00 H new ATOM 0 HB2 ALA D 29 1.058 9.352 10.488 1.00 0.00 H new ATOM 0 HB3 ALA D 29 0.142 9.081 8.987 1.00 0.00 H new ATOM 1679 N ALA D 30 1.403 7.864 6.685 1.00 0.00 N ATOM 1680 CA ALA D 30 1.115 6.990 5.555 1.00 0.00 C ATOM 1681 C ALA D 30 2.384 6.291 5.079 1.00 0.00 C ATOM 1682 O ALA D 30 2.373 5.094 4.790 1.00 0.00 O ATOM 1683 CB ALA D 30 0.518 7.806 4.406 1.00 0.00 C ATOM 0 H ALA D 30 1.167 8.845 6.536 1.00 0.00 H new ATOM 0 HA ALA D 30 0.398 6.234 5.877 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.305 7.147 3.564 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.405 8.281 4.738 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.229 8.572 4.096 1.00 0.00 H new ATOM 1689 N ASN D 31 3.475 7.046 4.997 1.00 0.00 N ATOM 1690 CA ASN D 31 4.745 6.483 4.555 1.00 0.00 C ATOM 1691 C ASN D 31 5.240 5.431 5.544 1.00 0.00 C ATOM 1692 O ASN D 31 5.685 4.356 5.151 1.00 0.00 O ATOM 1693 CB ASN D 31 5.790 7.594 4.427 1.00 0.00 C ATOM 1694 CG ASN D 31 7.108 7.017 3.921 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.434 5.863 4.204 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.891 7.754 3.184 1.00 0.00 N ATOM 0 H ASN D 31 3.506 8.039 5.228 1.00 0.00 H new ATOM 0 HA ASN D 31 4.593 6.010 3.585 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.433 8.362 3.741 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.942 8.075 5.393 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.774 7.375 2.841 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.621 8.709 2.950 1.00 0.00 H new ATOM 1703 N ILE D 32 5.149 5.746 6.831 1.00 0.00 N ATOM 1704 CA ILE D 32 5.591 4.823 7.871 1.00 0.00 C ATOM 1705 C ILE D 32 4.776 3.535 7.818 1.00 0.00 C ATOM 1706 O ILE D 32 5.318 2.440 7.958 1.00 0.00 O ATOM 1707 CB ILE D 32 5.448 5.475 9.248 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.446 6.632 9.368 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.741 4.440 10.338 1.00 0.00 C ATOM 1710 CD1 ILE D 32 6.117 7.459 10.612 1.00 0.00 C ATOM 0 H ILE D 32 4.775 6.629 7.179 1.00 0.00 H new ATOM 0 HA ILE D 32 6.640 4.582 7.699 1.00 0.00 H new ATOM 0 HB ILE D 32 4.432 5.852 9.367 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.463 6.245 9.434 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.401 7.260 8.478 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.639 4.905 11.318 1.00 0.00 H new ATOM 0 HG22 ILE D 32 5.036 3.613 10.254 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.757 4.064 10.219 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.826 8.283 10.699 1.00 0.00 H new ATOM 0 HD12 ILE D 32 5.106 7.858 10.527 1.00 0.00 H new ATOM 0 HD13 ILE D 32 6.184 6.827 11.497 1.00 0.00 H new ATOM 1722 N ILE D 33 3.473 3.676 7.628 1.00 0.00 N ATOM 1723 CA ILE D 33 2.594 2.518 7.566 1.00 0.00 C ATOM 1724 C ILE D 33 2.980 1.618 6.404 1.00 0.00 C ATOM 1725 O ILE D 33 2.989 0.393 6.533 1.00 0.00 O ATOM 1726 CB ILE D 33 1.138 2.979 7.402 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.685 3.714 8.680 1.00 0.00 C ATOM 1728 CG2 ILE D 33 0.236 1.756 7.166 1.00 0.00 C ATOM 1729 CD1 ILE D 33 0.195 2.703 9.726 1.00 0.00 C ATOM 0 H ILE D 33 3.003 4.574 7.515 1.00 0.00 H new ATOM 0 HA ILE D 33 2.695 1.954 8.494 1.00 0.00 H new ATOM 0 HB ILE D 33 1.064 3.654 6.549 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.512 4.297 9.086 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.113 4.417 8.441 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -0.797 2.083 7.050 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.556 1.237 6.263 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.309 1.080 8.018 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.122 3.233 10.624 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.646 2.139 9.321 1.00 0.00 H new ATOM 0 HD13 ILE D 33 1.005 2.017 9.976 1.00 0.00 H new ATOM 1741 N GLY D 34 3.278 2.227 5.264 1.00 0.00 N ATOM 1742 CA GLY D 34 3.646 1.462 4.076 1.00 0.00 C ATOM 1743 C GLY D 34 4.779 0.488 4.384 1.00 0.00 C ATOM 1744 O GLY D 34 4.663 -0.709 4.136 1.00 0.00 O ATOM 0 H GLY D 34 3.273 3.239 5.135 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.779 0.913 3.709 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.952 2.142 3.281 1.00 0.00 H new ATOM 1748 N ILE D 35 5.864 1.008 4.937 1.00 0.00 N ATOM 1749 CA ILE D 35 7.004 0.171 5.291 1.00 0.00 C ATOM 1750 C ILE D 35 6.626 -0.828 6.373 1.00 0.00 C ATOM 1751 O ILE D 35 7.044 -1.985 6.329 1.00 0.00 O ATOM 1752 CB ILE D 35 8.177 1.042 5.762 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.768 1.817 4.561 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.263 0.165 6.389 1.00 0.00 C ATOM 1755 CD1 ILE D 35 7.965 3.095 4.318 1.00 0.00 C ATOM 0 H ILE D 35 5.981 1.999 5.150 1.00 0.00 H new ATOM 0 HA ILE D 35 7.309 -0.383 4.403 1.00 0.00 H new ATOM 0 HB ILE D 35 7.814 1.750 6.507 1.00 0.00 H new ATOM 0 HG12 ILE D 35 9.812 2.065 4.755 1.00 0.00 H new ATOM 0 HG13 ILE D 35 8.750 1.191 3.669 1.00 0.00 H new ATOM 0 HG21 ILE D 35 10.091 0.792 6.720 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.850 -0.371 7.243 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.623 -0.552 5.651 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.388 3.635 3.471 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.928 2.838 4.103 1.00 0.00 H new ATOM 0 HD13 ILE D 35 8.006 3.725 5.207 1.00 0.00 H new ATOM 1767 N LEU D 36 5.872 -0.363 7.355 1.00 0.00 N ATOM 1768 CA LEU D 36 5.482 -1.220 8.458 1.00 0.00 C ATOM 1769 C LEU D 36 4.748 -2.455 7.943 1.00 0.00 C ATOM 1770 O LEU D 36 5.022 -3.580 8.370 1.00 0.00 O ATOM 1771 CB LEU D 36 4.566 -0.448 9.419 1.00 0.00 C ATOM 1772 CG LEU D 36 4.092 -1.372 10.547 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.309 -1.973 11.267 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.253 -0.571 11.542 1.00 0.00 C ATOM 0 H LEU D 36 5.522 0.593 7.410 1.00 0.00 H new ATOM 0 HA LEU D 36 6.383 -1.537 8.984 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.100 0.405 9.837 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.707 -0.052 8.877 1.00 0.00 H new ATOM 0 HG LEU D 36 3.488 -2.176 10.127 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.970 -2.629 12.068 1.00 0.00 H new ATOM 0 HD12 LEU D 36 5.906 -2.546 10.557 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.916 -1.171 11.687 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.915 -1.227 12.344 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.856 0.234 11.961 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.388 -0.148 11.031 1.00 0.00 H new ATOM 1786 N HIS D 37 3.820 -2.239 7.021 1.00 0.00 N ATOM 1787 CA HIS D 37 3.056 -3.340 6.445 1.00 0.00 C ATOM 1788 C HIS D 37 3.986 -4.313 5.730 1.00 0.00 C ATOM 1789 O HIS D 37 3.799 -5.529 5.797 1.00 0.00 O ATOM 1790 CB HIS D 37 2.019 -2.802 5.463 1.00 0.00 C ATOM 1791 CG HIS D 37 1.237 -3.949 4.881 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.126 -4.091 5.071 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.615 -5.019 4.112 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.511 -5.208 4.430 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.509 -5.811 3.828 1.00 0.00 N ATOM 0 H HIS D 37 3.578 -1.318 6.657 1.00 0.00 H new ATOM 0 HA HIS D 37 2.545 -3.867 7.251 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.347 -2.110 5.970 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.511 -2.243 4.667 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.622 -5.217 3.777 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.528 -5.572 4.407 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.485 -6.669 3.277 1.00 0.00 H new ATOM 1803 N LEU D 38 4.977 -3.775 5.034 1.00 0.00 N ATOM 1804 CA LEU D 38 5.918 -4.611 4.301 1.00 0.00 C ATOM 1805 C LEU D 38 6.649 -5.551 5.240 1.00 0.00 C ATOM 1806 O LEU D 38 6.887 -6.700 4.903 1.00 0.00 O ATOM 1807 CB LEU D 38 6.936 -3.722 3.560 1.00 0.00 C ATOM 1808 CG LEU D 38 6.405 -3.372 2.156 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.057 -2.087 1.660 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.737 -4.518 1.186 1.00 0.00 C ATOM 0 H LEU D 38 5.150 -2.772 4.961 1.00 0.00 H new ATOM 0 HA LEU D 38 5.360 -5.208 3.580 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.116 -2.809 4.128 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.892 -4.240 3.478 1.00 0.00 H new ATOM 0 HG LEU D 38 5.325 -3.231 2.206 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.677 -1.846 0.667 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.824 -1.272 2.346 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.137 -2.222 1.612 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.363 -4.273 0.192 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.817 -4.657 1.143 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.267 -5.437 1.535 1.00 0.00 H new ATOM 1822 N ILE D 39 7.009 -5.055 6.406 1.00 0.00 N ATOM 1823 CA ILE D 39 7.729 -5.871 7.372 1.00 0.00 C ATOM 1824 C ILE D 39 6.888 -7.075 7.777 1.00 0.00 C ATOM 1825 O ILE D 39 7.391 -8.195 7.853 1.00 0.00 O ATOM 1826 CB ILE D 39 8.054 -5.034 8.614 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.080 -3.957 8.250 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.630 -5.939 9.709 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.246 -2.988 9.422 1.00 0.00 C ATOM 0 H ILE D 39 6.819 -4.100 6.709 1.00 0.00 H new ATOM 0 HA ILE D 39 8.654 -6.222 6.915 1.00 0.00 H new ATOM 0 HB ILE D 39 7.143 -4.560 8.979 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.037 -4.419 8.009 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.755 -3.416 7.361 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.860 -5.341 10.591 1.00 0.00 H new ATOM 0 HG22 ILE D 39 7.899 -6.705 9.970 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.541 -6.415 9.346 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.977 -2.223 9.161 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.289 -2.516 9.642 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.591 -3.534 10.300 1.00 0.00 H new ATOM 1841 N LEU D 40 5.609 -6.841 8.039 1.00 0.00 N ATOM 1842 CA LEU D 40 4.711 -7.923 8.431 1.00 0.00 C ATOM 1843 C LEU D 40 4.386 -8.819 7.240 1.00 0.00 C ATOM 1844 O LEU D 40 4.357 -10.045 7.361 1.00 0.00 O ATOM 1845 CB LEU D 40 3.420 -7.340 9.006 1.00 0.00 C ATOM 1846 CG LEU D 40 3.760 -6.317 10.092 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.468 -5.706 10.640 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.524 -7.006 11.233 1.00 0.00 C ATOM 0 H LEU D 40 5.171 -5.921 7.988 1.00 0.00 H new ATOM 0 HA LEU D 40 5.210 -8.526 9.190 1.00 0.00 H new ATOM 0 HB2 LEU D 40 2.839 -6.866 8.215 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.803 -8.136 9.422 1.00 0.00 H new ATOM 0 HG LEU D 40 4.383 -5.531 9.664 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.710 -4.977 11.414 1.00 0.00 H new ATOM 0 HD12 LEU D 40 1.928 -5.212 9.832 1.00 0.00 H new ATOM 0 HD13 LEU D 40 1.845 -6.493 11.065 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.764 -6.274 12.004 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.905 -7.794 11.661 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.446 -7.439 10.844 1.00 0.00 H new ATOM 1860 N TRP D 41 4.122 -8.193 6.095 1.00 0.00 N ATOM 1861 CA TRP D 41 3.786 -8.934 4.891 1.00 0.00 C ATOM 1862 C TRP D 41 4.976 -9.751 4.406 1.00 0.00 C ATOM 1863 O TRP D 41 4.817 -10.881 3.942 1.00 0.00 O ATOM 1864 CB TRP D 41 3.310 -7.984 3.798 1.00 0.00 C ATOM 1865 CG TRP D 41 3.109 -8.759 2.533 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.014 -9.502 2.241 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.961 -8.810 1.353 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.179 -10.058 0.987 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.354 -9.647 0.396 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.198 -8.228 1.031 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.952 -9.896 -0.835 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.799 -8.470 -0.213 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.178 -9.306 -1.140 1.00 0.00 C ATOM 0 H TRP D 41 4.135 -7.180 5.980 1.00 0.00 H new ATOM 0 HA TRP D 41 2.976 -9.624 5.130 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.379 -7.503 4.097 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.043 -7.192 3.642 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.155 -9.637 2.882 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.512 -10.695 0.552 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.691 -7.588 1.748 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.469 -10.544 -1.552 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.745 -8.008 -0.453 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.647 -9.497 -2.094 1.00 0.00 H new ATOM 1884 N ILE D 42 6.159 -9.171 4.515 1.00 0.00 N ATOM 1885 CA ILE D 42 7.369 -9.854 4.086 1.00 0.00 C ATOM 1886 C ILE D 42 7.593 -11.106 4.929 1.00 0.00 C ATOM 1887 O ILE D 42 7.906 -12.172 4.400 1.00 0.00 O ATOM 1888 CB ILE D 42 8.577 -8.910 4.222 1.00 0.00 C ATOM 1889 CG1 ILE D 42 8.587 -7.919 3.053 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.876 -9.721 4.209 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.540 -6.767 3.366 1.00 0.00 C ATOM 0 H ILE D 42 6.308 -8.236 4.894 1.00 0.00 H new ATOM 0 HA ILE D 42 7.258 -10.147 3.042 1.00 0.00 H new ATOM 0 HB ILE D 42 8.500 -8.366 5.164 1.00 0.00 H new ATOM 0 HG12 ILE D 42 8.898 -8.423 2.138 1.00 0.00 H new ATOM 0 HG13 ILE D 42 7.582 -7.536 2.879 1.00 0.00 H new ATOM 0 HG21 ILE D 42 10.727 -9.047 4.306 1.00 0.00 H new ATOM 0 HG22 ILE D 42 9.874 -10.424 5.042 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.953 -10.270 3.270 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.546 -6.063 2.534 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.209 -6.257 4.270 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.546 -7.158 3.518 1.00 0.00 H new ATOM 1903 N LEU D 43 7.448 -10.964 6.240 1.00 0.00 N ATOM 1904 CA LEU D 43 7.648 -12.086 7.144 1.00 0.00 C ATOM 1905 C LEU D 43 6.624 -13.178 6.874 1.00 0.00 C ATOM 1906 O LEU D 43 6.947 -14.366 6.899 1.00 0.00 O ATOM 1907 CB LEU D 43 7.526 -11.616 8.596 1.00 0.00 C ATOM 1908 CG LEU D 43 8.723 -10.726 8.951 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.451 -10.009 10.276 1.00 0.00 C ATOM 1910 CD2 LEU D 43 9.996 -11.583 9.083 1.00 0.00 C ATOM 0 H LEU D 43 7.194 -10.088 6.698 1.00 0.00 H new ATOM 0 HA LEU D 43 8.646 -12.490 6.976 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.596 -11.064 8.733 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.488 -12.476 9.265 1.00 0.00 H new ATOM 0 HG LEU D 43 8.868 -9.991 8.159 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.302 -9.376 10.529 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.557 -9.393 10.180 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.300 -10.746 11.065 1.00 0.00 H new ATOM 0 HD21 LEU D 43 10.841 -10.943 9.335 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.855 -12.325 9.869 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.194 -12.089 8.138 1.00 0.00 H new