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= 0 X(o=0,f=-0.1) USER MOD Single : A 37 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 37 HIS : no HD1:sc= -9.87! C(o=-9.9!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : C 37 HIS : no HD1:sc= -9.81! C(o=-9.8!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : D 37 HIS : no HD1:sc= -9.92! C(o=-9.9!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.807 12.552 1.510 1.00 0.00 N ATOM 124 CA VAL A 28 -6.523 11.984 2.646 1.00 0.00 C ATOM 125 C VAL A 28 -7.113 10.624 2.285 1.00 0.00 C ATOM 126 O VAL A 28 -7.024 9.673 3.062 1.00 0.00 O ATOM 127 CB VAL A 28 -7.646 12.930 3.080 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.451 12.283 4.210 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.039 14.245 3.573 1.00 0.00 C ATOM 0 HA VAL A 28 -5.818 11.854 3.467 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.304 13.127 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.250 12.956 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.882 11.345 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.795 12.086 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.837 14.920 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.382 14.047 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.466 14.705 2.768 1.00 0.00 H new ATOM 139 N ALA A 29 -7.718 10.536 1.104 1.00 0.00 N ATOM 140 CA ALA A 29 -8.320 9.286 0.660 1.00 0.00 C ATOM 141 C ALA A 29 -7.276 8.177 0.612 1.00 0.00 C ATOM 142 O ALA A 29 -7.543 7.044 1.004 1.00 0.00 O ATOM 143 CB ALA A 29 -8.931 9.466 -0.734 1.00 0.00 C ATOM 0 H ALA A 29 -7.803 11.309 0.443 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.100 9.010 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.379 8.527 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.697 10.240 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.152 9.759 -1.438 1.00 0.00 H new ATOM 149 N ALA A 30 -6.083 8.510 0.134 1.00 0.00 N ATOM 150 CA ALA A 30 -5.012 7.527 0.045 1.00 0.00 C ATOM 151 C ALA A 30 -4.707 6.939 1.418 1.00 0.00 C ATOM 152 O ALA A 30 -4.574 5.722 1.565 1.00 0.00 O ATOM 153 CB ALA A 30 -3.752 8.182 -0.520 1.00 0.00 C ATOM 0 H ALA A 30 -5.835 9.443 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.335 6.724 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.955 7.442 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.962 8.577 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.440 8.996 0.135 1.00 0.00 H new ATOM 159 N ASN A 31 -4.598 7.803 2.421 1.00 0.00 N ATOM 160 CA ASN A 31 -4.306 7.350 3.776 1.00 0.00 C ATOM 161 C ASN A 31 -5.444 6.490 4.317 1.00 0.00 C ATOM 162 O ASN A 31 -5.209 5.454 4.938 1.00 0.00 O ATOM 163 CB ASN A 31 -4.102 8.556 4.694 1.00 0.00 C ATOM 164 CG ASN A 31 -3.824 8.087 6.118 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.916 7.289 6.343 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.557 8.538 7.098 1.00 0.00 N ATOM 0 H ASN A 31 -4.706 8.813 2.323 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.396 6.751 3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.271 9.162 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.989 9.190 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.378 8.229 8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.310 9.200 6.909 1.00 0.00 H new ATOM 173 N ILE A 32 -6.677 6.929 4.079 1.00 0.00 N ATOM 174 CA ILE A 32 -7.842 6.191 4.553 1.00 0.00 C ATOM 175 C ILE A 32 -7.923 4.825 3.874 1.00 0.00 C ATOM 176 O ILE A 32 -8.183 3.812 4.524 1.00 0.00 O ATOM 177 CB ILE A 32 -9.119 6.987 4.263 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.131 8.256 5.121 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.347 6.135 4.599 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.260 9.178 4.656 1.00 0.00 C ATOM 0 H ILE A 32 -6.893 7.784 3.566 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.744 6.044 5.629 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.145 7.256 3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.269 7.996 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.173 8.769 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.253 6.705 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.340 5.230 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.323 5.863 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.268 10.081 5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.102 9.448 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.215 8.663 4.757 1.00 0.00 H new ATOM 192 N ILE A 33 -7.701 4.808 2.565 1.00 0.00 N ATOM 193 CA ILE A 33 -7.755 3.564 1.807 1.00 0.00 C ATOM 194 C ILE A 33 -6.652 2.611 2.263 1.00 0.00 C ATOM 195 O ILE A 33 -6.885 1.415 2.437 1.00 0.00 O ATOM 196 CB ILE A 33 -7.603 3.857 0.312 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.840 4.610 -0.188 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.469 2.544 -0.462 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.543 5.230 -1.555 1.00 0.00 C ATOM 0 H ILE A 33 -7.483 5.635 2.010 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.721 3.091 1.985 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.712 4.464 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.688 3.929 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.117 5.388 0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.361 2.758 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.591 2.002 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.359 1.935 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.423 5.766 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.707 5.924 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.287 4.443 -2.264 1.00 0.00 H new ATOM 211 N GLY A 34 -5.451 3.148 2.448 1.00 0.00 N ATOM 212 CA GLY A 34 -4.321 2.331 2.873 1.00 0.00 C ATOM 213 C GLY A 34 -4.591 1.692 4.231 1.00 0.00 C ATOM 214 O GLY A 34 -4.383 0.492 4.419 1.00 0.00 O ATOM 0 H GLY A 34 -5.236 4.136 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.130 1.554 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.423 2.946 2.928 1.00 0.00 H new ATOM 218 N ILE A 35 -5.058 2.502 5.173 1.00 0.00 N ATOM 219 CA ILE A 35 -5.356 2.008 6.510 1.00 0.00 C ATOM 220 C ILE A 35 -6.475 0.976 6.453 1.00 0.00 C ATOM 221 O ILE A 35 -6.410 -0.059 7.112 1.00 0.00 O ATOM 222 CB ILE A 35 -5.767 3.169 7.421 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.564 4.083 7.646 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.237 2.622 8.773 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.023 5.390 8.295 1.00 0.00 C ATOM 0 H ILE A 35 -5.237 3.497 5.037 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.460 1.537 6.915 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.577 3.727 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.832 3.587 8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.071 4.291 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.529 3.450 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.091 1.962 8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.426 2.064 9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.162 6.039 8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.738 5.889 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.496 5.174 9.253 1.00 0.00 H new ATOM 237 N LEU A 36 -7.502 1.269 5.664 1.00 0.00 N ATOM 238 CA LEU A 36 -8.635 0.361 5.537 1.00 0.00 C ATOM 239 C LEU A 36 -8.174 -0.999 5.024 1.00 0.00 C ATOM 240 O LEU A 36 -8.625 -2.039 5.506 1.00 0.00 O ATOM 241 CB LEU A 36 -9.677 0.950 4.575 1.00 0.00 C ATOM 242 CG LEU A 36 -10.821 -0.054 4.349 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.448 -0.453 5.693 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.885 0.587 3.451 1.00 0.00 C ATOM 0 H LEU A 36 -7.574 2.121 5.107 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.086 0.232 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.075 1.879 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.206 1.196 3.623 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.425 -0.948 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.256 -1.164 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.689 -0.913 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.844 0.434 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.698 -0.121 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.276 1.483 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.439 0.855 2.493 1.00 0.00 H new ATOM 256 N HIS A 37 -7.279 -0.985 4.045 1.00 0.00 N ATOM 257 CA HIS A 37 -6.774 -2.221 3.472 1.00 0.00 C ATOM 258 C HIS A 37 -6.126 -3.079 4.551 1.00 0.00 C ATOM 259 O HIS A 37 -6.292 -4.299 4.570 1.00 0.00 O ATOM 260 CB HIS A 37 -5.751 -1.912 2.383 1.00 0.00 C ATOM 261 CG HIS A 37 -5.254 -3.201 1.793 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.454 -3.532 0.465 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.571 -4.255 2.340 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.901 -4.740 0.262 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.347 -5.225 1.372 1.00 0.00 N ATOM 0 H HIS A 37 -6.891 -0.136 3.634 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.610 -2.769 3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.203 -1.294 1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.919 -1.344 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.254 -4.322 3.370 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.905 -5.256 -0.687 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.863 -6.116 1.486 1.00 0.00 H new ATOM 273 N LEU A 38 -5.391 -2.435 5.448 1.00 0.00 N ATOM 274 CA LEU A 38 -4.721 -3.153 6.527 1.00 0.00 C ATOM 275 C LEU A 38 -5.732 -3.863 7.413 1.00 0.00 C ATOM 276 O LEU A 38 -5.506 -4.986 7.849 1.00 0.00 O ATOM 277 CB LEU A 38 -3.882 -2.169 7.370 1.00 0.00 C ATOM 278 CG LEU A 38 -2.451 -2.062 6.803 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.807 -0.747 7.249 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.600 -3.238 7.310 1.00 0.00 C ATOM 0 H LEU A 38 -5.244 -1.426 5.452 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.064 -3.903 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.354 -1.187 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.846 -2.506 8.406 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.502 -2.089 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.797 -0.681 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.400 0.091 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.764 -0.714 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.591 -3.157 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.558 -3.214 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.047 -4.177 6.984 1.00 0.00 H new ATOM 292 N ILE A 39 -6.846 -3.213 7.687 1.00 0.00 N ATOM 293 CA ILE A 39 -7.849 -3.822 8.536 1.00 0.00 C ATOM 294 C ILE A 39 -8.304 -5.152 7.946 1.00 0.00 C ATOM 295 O ILE A 39 -8.362 -6.164 8.646 1.00 0.00 O ATOM 296 CB ILE A 39 -9.046 -2.881 8.668 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.573 -1.542 9.248 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.094 -3.506 9.588 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.724 -0.528 9.235 1.00 0.00 C ATOM 0 H ILE A 39 -7.077 -2.281 7.342 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.417 -4.004 9.520 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.491 -2.714 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.215 -1.684 10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.734 -1.160 8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.946 -2.832 9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.426 -4.456 9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.659 -3.676 10.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.379 0.420 9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.062 -0.375 8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.550 -0.907 9.837 1.00 0.00 H new ATOM 311 N LEU A 40 -8.627 -5.146 6.660 1.00 0.00 N ATOM 312 CA LEU A 40 -9.075 -6.365 5.998 1.00 0.00 C ATOM 313 C LEU A 40 -7.930 -7.360 5.826 1.00 0.00 C ATOM 314 O LEU A 40 -8.096 -8.559 6.043 1.00 0.00 O ATOM 315 CB LEU A 40 -9.671 -6.013 4.628 1.00 0.00 C ATOM 316 CG LEU A 40 -11.108 -5.491 4.801 1.00 0.00 C ATOM 317 CD1 LEU A 40 -12.058 -6.626 5.249 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.109 -4.363 5.843 1.00 0.00 C ATOM 0 H LEU A 40 -8.588 -4.322 6.060 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.834 -6.835 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.057 -5.258 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.669 -6.892 3.984 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.465 -5.112 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.067 -6.231 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.061 -7.416 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.716 -7.032 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.124 -3.987 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.741 -4.746 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.463 -3.553 5.503 1.00 0.00 H new ATOM 330 N TRP A 41 -6.772 -6.856 5.422 1.00 0.00 N ATOM 331 CA TRP A 41 -5.616 -7.714 5.209 1.00 0.00 C ATOM 332 C TRP A 41 -5.151 -8.330 6.521 1.00 0.00 C ATOM 333 O TRP A 41 -4.750 -9.493 6.564 1.00 0.00 O ATOM 334 CB TRP A 41 -4.483 -6.922 4.552 1.00 0.00 C ATOM 335 CG TRP A 41 -3.267 -7.783 4.442 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.030 -8.678 3.454 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.091 -7.806 5.297 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.807 -9.282 3.681 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.189 -8.770 4.800 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.729 -7.098 6.451 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.027 -9.021 5.426 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.499 -7.343 7.080 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.373 -8.303 6.565 1.00 0.00 C ATOM 0 H TRP A 41 -6.609 -5.866 5.237 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.906 -8.525 4.541 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.790 -6.581 3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.259 -6.032 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.689 -8.886 2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.412 -10.016 3.093 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.402 -6.358 6.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.698 -9.769 5.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.226 -6.787 7.965 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.319 -8.489 7.052 1.00 0.00 H new ATOM 354 N ILE A 42 -5.207 -7.550 7.590 1.00 0.00 N ATOM 355 CA ILE A 42 -4.786 -8.036 8.898 1.00 0.00 C ATOM 356 C ILE A 42 -5.667 -9.205 9.331 1.00 0.00 C ATOM 357 O ILE A 42 -5.172 -10.225 9.811 1.00 0.00 O ATOM 358 CB ILE A 42 -4.874 -6.893 9.932 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.670 -5.955 9.774 1.00 0.00 C ATOM 360 CG2 ILE A 42 -4.890 -7.460 11.355 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.937 -4.650 10.525 1.00 0.00 C ATOM 0 H ILE A 42 -5.537 -6.585 7.580 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.754 -8.380 8.835 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.797 -6.339 9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.770 -6.433 10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.492 -5.749 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.952 -6.641 12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.753 -8.115 11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.976 -8.028 11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.082 -3.984 10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.826 -4.170 10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.094 -4.864 11.582 1.00 0.00 H new ATOM 373 N LEU A 43 -6.972 -9.047 9.164 1.00 0.00 N ATOM 374 CA LEU A 43 -7.911 -10.089 9.551 1.00 0.00 C ATOM 375 C LEU A 43 -7.674 -11.347 8.723 1.00 0.00 C ATOM 376 O LEU A 43 -7.778 -12.462 9.230 1.00 0.00 O ATOM 377 CB LEU A 43 -9.346 -9.597 9.356 1.00 0.00 C ATOM 378 CG LEU A 43 -9.653 -8.477 10.366 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.953 -7.777 9.956 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.804 -9.047 11.791 1.00 0.00 C ATOM 0 H LEU A 43 -7.403 -8.213 8.766 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.757 -10.328 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.479 -9.229 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.045 -10.423 9.490 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.826 -7.767 10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.178 -6.982 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.838 -7.351 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.769 -8.500 9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.021 -8.236 12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.621 -9.769 11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.878 -9.540 12.086 1.00 0.00 H new ATOM 633 N VAL B 28 -0.476 11.585 -7.724 1.00 0.00 N ATOM 634 CA VAL B 28 -1.663 11.013 -8.346 1.00 0.00 C ATOM 635 C VAL B 28 -1.428 9.549 -8.707 1.00 0.00 C ATOM 636 O VAL B 28 -2.286 8.699 -8.470 1.00 0.00 O ATOM 637 CB VAL B 28 -2.022 11.801 -9.608 1.00 0.00 C ATOM 638 CG1 VAL B 28 -3.214 11.138 -10.303 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.385 13.237 -9.225 1.00 0.00 C ATOM 0 HA VAL B 28 -2.487 11.071 -7.634 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.169 11.811 -10.286 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.470 11.699 -11.202 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.953 10.115 -10.576 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -4.069 11.127 -9.627 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.641 13.799 -10.123 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.238 13.228 -8.547 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.535 13.708 -8.732 1.00 0.00 H new ATOM 649 N ALA B 29 -0.266 9.263 -9.284 1.00 0.00 N ATOM 650 CA ALA B 29 0.061 7.898 -9.676 1.00 0.00 C ATOM 651 C ALA B 29 0.022 6.972 -8.466 1.00 0.00 C ATOM 652 O ALA B 29 -0.456 5.844 -8.553 1.00 0.00 O ATOM 653 CB ALA B 29 1.458 7.856 -10.303 1.00 0.00 C ATOM 0 H ALA B 29 0.459 9.951 -9.489 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.677 7.562 -10.404 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.696 6.833 -10.594 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.481 8.498 -11.184 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.193 8.207 -9.579 1.00 0.00 H new ATOM 659 N ALA B 30 0.526 7.454 -7.337 1.00 0.00 N ATOM 660 CA ALA B 30 0.539 6.653 -6.121 1.00 0.00 C ATOM 661 C ALA B 30 -0.878 6.242 -5.731 1.00 0.00 C ATOM 662 O ALA B 30 -1.129 5.083 -5.398 1.00 0.00 O ATOM 663 CB ALA B 30 1.174 7.447 -4.981 1.00 0.00 C ATOM 0 H ALA B 30 0.927 8.387 -7.238 1.00 0.00 H new ATOM 0 HA ALA B 30 1.125 5.753 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.180 6.841 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.197 7.711 -5.248 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.598 8.356 -4.806 1.00 0.00 H new ATOM 669 N ASN B 31 -1.799 7.197 -5.768 1.00 0.00 N ATOM 670 CA ASN B 31 -3.186 6.916 -5.414 1.00 0.00 C ATOM 671 C ASN B 31 -3.812 5.937 -6.403 1.00 0.00 C ATOM 672 O ASN B 31 -4.524 5.013 -6.007 1.00 0.00 O ATOM 673 CB ASN B 31 -3.991 8.214 -5.408 1.00 0.00 C ATOM 674 CG ASN B 31 -5.452 7.924 -5.079 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.748 7.309 -4.056 1.00 0.00 O ATOM 676 ND2 ASN B 31 -6.389 8.332 -5.892 1.00 0.00 N ATOM 0 H ASN B 31 -1.614 8.164 -6.037 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.201 6.467 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.575 8.905 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.919 8.700 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -7.368 8.141 -5.679 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.142 8.842 -6.740 1.00 0.00 H new ATOM 683 N ILE B 32 -3.548 6.148 -7.689 1.00 0.00 N ATOM 684 CA ILE B 32 -4.098 5.277 -8.721 1.00 0.00 C ATOM 685 C ILE B 32 -3.547 3.860 -8.576 1.00 0.00 C ATOM 686 O ILE B 32 -4.288 2.883 -8.671 1.00 0.00 O ATOM 687 CB ILE B 32 -3.746 5.827 -10.108 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.487 7.149 -10.332 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.170 4.822 -11.185 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.947 7.831 -11.591 1.00 0.00 C ATOM 0 H ILE B 32 -2.963 6.907 -8.039 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.182 5.245 -8.607 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.670 5.992 -10.169 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.556 6.965 -10.435 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.358 7.801 -9.468 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -3.918 5.216 -12.170 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.648 3.878 -11.028 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.246 4.656 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.474 8.772 -11.750 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.882 8.028 -11.470 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.099 7.180 -12.452 1.00 0.00 H new ATOM 702 N ILE B 33 -2.242 3.760 -8.348 1.00 0.00 N ATOM 703 CA ILE B 33 -1.603 2.459 -8.195 1.00 0.00 C ATOM 704 C ILE B 33 -2.133 1.745 -6.954 1.00 0.00 C ATOM 705 O ILE B 33 -2.418 0.548 -6.991 1.00 0.00 O ATOM 706 CB ILE B 33 -0.085 2.637 -8.086 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.470 3.130 -9.426 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.568 1.295 -7.735 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.887 3.670 -9.224 1.00 0.00 C ATOM 0 H ILE B 33 -1.611 4.557 -8.266 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.833 1.851 -9.070 1.00 0.00 H new ATOM 0 HB ILE B 33 0.135 3.366 -7.306 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.480 2.315 -10.150 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.173 3.910 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.648 1.425 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.177 0.938 -6.782 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.345 0.567 -8.515 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.282 4.021 -10.177 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.863 4.497 -8.515 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.527 2.877 -8.836 1.00 0.00 H new ATOM 721 N GLY B 34 -2.254 2.484 -5.857 1.00 0.00 N ATOM 722 CA GLY B 34 -2.742 1.903 -4.612 1.00 0.00 C ATOM 723 C GLY B 34 -4.154 1.356 -4.783 1.00 0.00 C ATOM 724 O GLY B 34 -4.448 0.229 -4.381 1.00 0.00 O ATOM 0 H GLY B 34 -2.024 3.476 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.074 1.103 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.733 2.658 -3.826 1.00 0.00 H new ATOM 728 N ILE B 35 -5.021 2.161 -5.384 1.00 0.00 N ATOM 729 CA ILE B 35 -6.401 1.750 -5.607 1.00 0.00 C ATOM 730 C ILE B 35 -6.445 0.549 -6.545 1.00 0.00 C ATOM 731 O ILE B 35 -7.195 -0.397 -6.317 1.00 0.00 O ATOM 732 CB ILE B 35 -7.205 2.905 -6.207 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.333 4.022 -5.168 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.605 2.415 -6.587 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.883 5.285 -5.833 1.00 0.00 C ATOM 0 H ILE B 35 -4.795 3.096 -5.724 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.841 1.471 -4.650 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.695 3.278 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -7.994 3.707 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.361 4.229 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.176 3.240 -7.014 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.523 1.612 -7.320 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.114 2.044 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.973 6.078 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.205 5.604 -6.624 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.864 5.074 -6.259 1.00 0.00 H new ATOM 747 N LEU B 36 -5.639 0.598 -7.598 1.00 0.00 N ATOM 748 CA LEU B 36 -5.603 -0.492 -8.567 1.00 0.00 C ATOM 749 C LEU B 36 -5.211 -1.799 -7.887 1.00 0.00 C ATOM 750 O LEU B 36 -5.786 -2.851 -8.167 1.00 0.00 O ATOM 751 CB LEU B 36 -4.599 -0.171 -9.683 1.00 0.00 C ATOM 752 CG LEU B 36 -4.475 -1.363 -10.648 1.00 0.00 C ATOM 753 CD1 LEU B 36 -5.857 -1.733 -11.209 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.532 -0.986 -11.797 1.00 0.00 C ATOM 0 H LEU B 36 -5.007 1.372 -7.803 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.598 -0.603 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.922 0.715 -10.229 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.625 0.059 -9.251 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.073 -2.222 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.759 -2.578 -11.891 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.522 -2.004 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.272 -0.880 -11.746 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.441 -1.827 -12.484 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.934 -0.125 -12.330 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.550 -0.738 -11.395 1.00 0.00 H new ATOM 766 N HIS B 37 -4.230 -1.726 -6.999 1.00 0.00 N ATOM 767 CA HIS B 37 -3.765 -2.912 -6.294 1.00 0.00 C ATOM 768 C HIS B 37 -4.913 -3.552 -5.525 1.00 0.00 C ATOM 769 O HIS B 37 -5.042 -4.776 -5.490 1.00 0.00 O ATOM 770 CB HIS B 37 -2.651 -2.535 -5.321 1.00 0.00 C ATOM 771 CG HIS B 37 -2.170 -3.777 -4.620 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.879 -4.254 -4.755 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.804 -4.655 -3.780 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.782 -5.372 -4.014 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.926 -5.658 -3.397 1.00 0.00 N ATOM 0 H HIS B 37 -3.743 -0.865 -6.751 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.383 -3.624 -7.025 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.828 -2.062 -5.857 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.016 -1.810 -4.594 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.834 -4.577 -3.464 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.116 -5.966 -3.930 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.116 -6.445 -2.776 1.00 0.00 H new ATOM 783 N LEU B 38 -5.744 -2.720 -4.912 1.00 0.00 N ATOM 784 CA LEU B 38 -6.879 -3.218 -4.144 1.00 0.00 C ATOM 785 C LEU B 38 -7.832 -4.000 -5.035 1.00 0.00 C ATOM 786 O LEU B 38 -8.366 -5.027 -4.632 1.00 0.00 O ATOM 787 CB LEU B 38 -7.623 -2.040 -3.484 1.00 0.00 C ATOM 788 CG LEU B 38 -7.036 -1.748 -2.085 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.354 -0.310 -1.668 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.642 -2.716 -1.053 1.00 0.00 C ATOM 0 H LEU B 38 -5.656 -1.704 -4.930 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.505 -3.887 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.542 -1.153 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.684 -2.274 -3.399 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.955 -1.882 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.935 -0.116 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.919 0.382 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.435 -0.171 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.225 -2.506 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.724 -2.586 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.407 -3.742 -1.335 1.00 0.00 H new ATOM 802 N ILE B 39 -8.055 -3.517 -6.241 1.00 0.00 N ATOM 803 CA ILE B 39 -8.963 -4.202 -7.139 1.00 0.00 C ATOM 804 C ILE B 39 -8.499 -5.637 -7.370 1.00 0.00 C ATOM 805 O ILE B 39 -9.288 -6.577 -7.269 1.00 0.00 O ATOM 806 CB ILE B 39 -9.021 -3.458 -8.472 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.474 -2.015 -8.224 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.002 -4.157 -9.412 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.378 -1.201 -9.520 1.00 0.00 C ATOM 0 H ILE B 39 -7.629 -2.670 -6.617 1.00 0.00 H new ATOM 0 HA ILE B 39 -9.956 -4.223 -6.689 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.033 -3.455 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.500 -2.006 -7.855 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -8.854 -1.559 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.040 -3.623 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.673 -5.182 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -10.994 -4.166 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -9.702 -0.178 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.346 -1.196 -9.871 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.017 -1.650 -10.280 1.00 0.00 H new ATOM 821 N LEU B 40 -7.220 -5.800 -7.684 1.00 0.00 N ATOM 822 CA LEU B 40 -6.675 -7.130 -7.926 1.00 0.00 C ATOM 823 C LEU B 40 -6.584 -7.938 -6.635 1.00 0.00 C ATOM 824 O LEU B 40 -6.906 -9.124 -6.608 1.00 0.00 O ATOM 825 CB LEU B 40 -5.286 -7.002 -8.565 1.00 0.00 C ATOM 826 CG LEU B 40 -5.426 -6.703 -10.067 1.00 0.00 C ATOM 827 CD1 LEU B 40 -5.984 -7.930 -10.823 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.362 -5.500 -10.252 1.00 0.00 C ATOM 0 H LEU B 40 -6.548 -5.038 -7.776 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.346 -7.659 -8.602 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.724 -6.205 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.723 -7.924 -8.420 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.443 -6.474 -10.477 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.074 -7.694 -11.883 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -5.307 -8.775 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -6.965 -8.188 -10.424 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.467 -5.281 -11.315 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.340 -5.732 -9.831 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -5.944 -4.632 -9.742 1.00 0.00 H new ATOM 840 N TRP B 41 -6.127 -7.291 -5.570 1.00 0.00 N ATOM 841 CA TRP B 41 -5.982 -7.967 -4.290 1.00 0.00 C ATOM 842 C TRP B 41 -7.342 -8.380 -3.739 1.00 0.00 C ATOM 843 O TRP B 41 -7.486 -9.454 -3.154 1.00 0.00 O ATOM 844 CB TRP B 41 -5.247 -7.068 -3.297 1.00 0.00 C ATOM 845 CG TRP B 41 -5.206 -7.727 -1.956 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.306 -8.664 -1.576 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.051 -7.484 -0.798 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.580 -9.041 -0.275 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.639 -8.331 0.249 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.131 -6.620 -0.564 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.278 -8.324 1.482 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.771 -6.603 0.684 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.342 -7.455 1.702 1.00 0.00 C ATOM 0 H TRP B 41 -5.853 -6.308 -5.568 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.392 -8.871 -4.442 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.234 -6.874 -3.649 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.750 -6.104 -3.224 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.506 -9.053 -2.188 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.062 -9.757 0.235 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.472 -5.963 -1.350 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.950 -8.990 2.267 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.597 -5.929 0.857 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.836 -7.440 2.662 1.00 0.00 H new ATOM 864 N ILE B 42 -8.336 -7.524 -3.925 1.00 0.00 N ATOM 865 CA ILE B 42 -9.680 -7.813 -3.439 1.00 0.00 C ATOM 866 C ILE B 42 -10.227 -9.066 -4.122 1.00 0.00 C ATOM 867 O ILE B 42 -10.793 -9.942 -3.471 1.00 0.00 O ATOM 868 CB ILE B 42 -10.605 -6.610 -3.718 1.00 0.00 C ATOM 869 CG1 ILE B 42 -10.352 -5.507 -2.679 1.00 0.00 C ATOM 870 CG2 ILE B 42 -12.077 -7.039 -3.649 1.00 0.00 C ATOM 871 CD1 ILE B 42 -10.977 -4.197 -3.161 1.00 0.00 C ATOM 0 H ILE B 42 -8.240 -6.629 -4.405 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.640 -7.990 -2.364 1.00 0.00 H new ATOM 0 HB ILE B 42 -10.389 -6.232 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.779 -5.794 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -9.281 -5.376 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -12.716 -6.179 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -12.266 -7.812 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -12.295 -7.431 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -10.797 -3.415 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.529 -3.909 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.051 -4.332 -3.292 1.00 0.00 H new ATOM 883 N LEU B 43 -10.056 -9.135 -5.433 1.00 0.00 N ATOM 884 CA LEU B 43 -10.543 -10.277 -6.195 1.00 0.00 C ATOM 885 C LEU B 43 -9.832 -11.550 -5.753 1.00 0.00 C ATOM 886 O LEU B 43 -10.437 -12.616 -5.680 1.00 0.00 O ATOM 887 CB LEU B 43 -10.320 -10.042 -7.689 1.00 0.00 C ATOM 888 CG LEU B 43 -11.228 -8.902 -8.179 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.770 -8.460 -9.573 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.700 -9.359 -8.241 1.00 0.00 C ATOM 0 H LEU B 43 -9.587 -8.420 -5.989 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.611 -10.392 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.275 -9.793 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.534 -10.954 -8.246 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.156 -8.070 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.410 -7.652 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.738 -8.111 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.836 -9.302 -10.262 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.322 -8.535 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.791 -10.200 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.028 -9.666 -7.248 1.00 0.00 H new ATOM 1143 N VAL C 28 8.771 10.602 -1.962 1.00 0.00 N ATOM 1144 CA VAL C 28 9.311 9.820 -3.067 1.00 0.00 C ATOM 1145 C VAL C 28 9.545 8.376 -2.639 1.00 0.00 C ATOM 1146 O VAL C 28 9.210 7.441 -3.367 1.00 0.00 O ATOM 1147 CB VAL C 28 10.628 10.433 -3.546 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.234 9.552 -4.643 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.369 11.835 -4.100 1.00 0.00 C ATOM 0 HA VAL C 28 8.588 9.831 -3.882 1.00 0.00 H new ATOM 0 HB VAL C 28 11.323 10.498 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.172 9.989 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.422 8.554 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.540 9.485 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.308 12.271 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.673 11.773 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.941 12.462 -3.318 1.00 0.00 H new ATOM 1159 N ALA C 29 10.127 8.198 -1.457 1.00 0.00 N ATOM 1160 CA ALA C 29 10.405 6.861 -0.948 1.00 0.00 C ATOM 1161 C ALA C 29 9.117 6.049 -0.851 1.00 0.00 C ATOM 1162 O ALA C 29 9.092 4.867 -1.183 1.00 0.00 O ATOM 1163 CB ALA C 29 11.054 6.950 0.433 1.00 0.00 C ATOM 0 H ALA C 29 10.413 8.957 -0.838 1.00 0.00 H new ATOM 0 HA ALA C 29 11.087 6.365 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.258 5.946 0.805 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.988 7.507 0.361 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.379 7.461 1.120 1.00 0.00 H new ATOM 1169 N ALA C 30 8.049 6.692 -0.399 1.00 0.00 N ATOM 1170 CA ALA C 30 6.767 6.012 -0.265 1.00 0.00 C ATOM 1171 C ALA C 30 6.309 5.454 -1.607 1.00 0.00 C ATOM 1172 O ALA C 30 5.877 4.304 -1.699 1.00 0.00 O ATOM 1173 CB ALA C 30 5.715 6.984 0.269 1.00 0.00 C ATOM 0 H ALA C 30 8.043 7.673 -0.121 1.00 0.00 H new ATOM 0 HA ALA C 30 6.889 5.185 0.435 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.760 6.469 0.366 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.027 7.358 1.244 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.608 7.820 -0.422 1.00 0.00 H new ATOM 1179 N ASN C 31 6.404 6.274 -2.650 1.00 0.00 N ATOM 1180 CA ASN C 31 5.995 5.845 -3.982 1.00 0.00 C ATOM 1181 C ASN C 31 6.877 4.704 -4.480 1.00 0.00 C ATOM 1182 O ASN C 31 6.384 3.733 -5.056 1.00 0.00 O ATOM 1183 CB ASN C 31 6.089 7.021 -4.956 1.00 0.00 C ATOM 1184 CG ASN C 31 5.695 6.569 -6.359 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.619 6.002 -6.552 1.00 0.00 O ATOM 1186 ND2 ASN C 31 6.509 6.785 -7.356 1.00 0.00 N ATOM 0 H ASN C 31 6.757 7.230 -2.599 1.00 0.00 H new ATOM 0 HA ASN C 31 4.965 5.492 -3.927 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.435 7.829 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.105 7.417 -4.964 1.00 0.00 H new ATOM 0 HD21 ASN C 31 6.254 6.484 -8.297 1.00 0.00 H new ATOM 0 HD22 ASN C 31 7.400 7.255 -7.194 1.00 0.00 H new ATOM 1193 N ILE C 32 8.181 4.828 -4.256 1.00 0.00 N ATOM 1194 CA ILE C 32 9.121 3.799 -4.691 1.00 0.00 C ATOM 1195 C ILE C 32 8.863 2.490 -3.950 1.00 0.00 C ATOM 1196 O ILE C 32 8.854 1.416 -4.549 1.00 0.00 O ATOM 1197 CB ILE C 32 10.559 4.263 -4.436 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.880 5.446 -5.357 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.530 3.115 -4.728 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.209 6.075 -4.934 1.00 0.00 C ATOM 0 H ILE C 32 8.609 5.622 -3.780 1.00 0.00 H new ATOM 0 HA ILE C 32 8.980 3.631 -5.759 1.00 0.00 H new ATOM 0 HB ILE C 32 10.662 4.568 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.938 5.110 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.082 6.187 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.552 3.448 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.302 2.271 -4.077 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.428 2.808 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.438 6.916 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.134 6.426 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE C 32 13.003 5.332 -5.007 1.00 0.00 H new ATOM 1212 N ILE C 33 8.657 2.591 -2.641 1.00 0.00 N ATOM 1213 CA ILE C 33 8.404 1.407 -1.827 1.00 0.00 C ATOM 1214 C ILE C 33 7.095 0.743 -2.237 1.00 0.00 C ATOM 1215 O ILE C 33 7.017 -0.480 -2.353 1.00 0.00 O ATOM 1216 CB ILE C 33 8.344 1.803 -0.347 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.736 2.245 0.121 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.891 0.601 0.489 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.612 2.996 1.447 1.00 0.00 C ATOM 0 H ILE C 33 8.660 3.471 -2.125 1.00 0.00 H new ATOM 0 HA ILE C 33 9.216 0.696 -1.982 1.00 0.00 H new ATOM 0 HB ILE C 33 7.636 2.623 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.384 1.377 0.242 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.198 2.885 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.849 0.884 1.541 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.903 0.281 0.160 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.599 -0.218 0.362 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.601 3.311 1.781 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.979 3.873 1.311 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.168 2.341 2.196 1.00 0.00 H new ATOM 1231 N GLY C 34 6.065 1.554 -2.451 1.00 0.00 N ATOM 1232 CA GLY C 34 4.763 1.026 -2.840 1.00 0.00 C ATOM 1233 C GLY C 34 4.851 0.279 -4.166 1.00 0.00 C ATOM 1234 O GLY C 34 4.347 -0.838 -4.297 1.00 0.00 O ATOM 0 H GLY C 34 6.105 2.569 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.392 0.356 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.046 1.843 -2.925 1.00 0.00 H new ATOM 1238 N ILE C 35 5.498 0.900 -5.144 1.00 0.00 N ATOM 1239 CA ILE C 35 5.650 0.286 -6.455 1.00 0.00 C ATOM 1240 C ILE C 35 6.476 -0.989 -6.345 1.00 0.00 C ATOM 1241 O ILE C 35 6.147 -2.006 -6.953 1.00 0.00 O ATOM 1242 CB ILE C 35 6.332 1.262 -7.420 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.394 2.439 -7.690 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.638 0.551 -8.741 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.160 3.554 -8.405 1.00 0.00 C ATOM 0 H ILE C 35 5.923 1.823 -5.055 1.00 0.00 H new ATOM 0 HA ILE C 35 4.661 0.038 -6.840 1.00 0.00 H new ATOM 0 HB ILE C 35 7.261 1.621 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.552 2.113 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.982 2.811 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.123 1.247 -9.425 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.300 -0.295 -8.554 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.709 0.193 -9.185 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.489 4.392 -8.596 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.987 3.887 -7.778 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.550 3.179 -9.351 1.00 0.00 H new ATOM 1257 N LEU C 36 7.552 -0.926 -5.568 1.00 0.00 N ATOM 1258 CA LEU C 36 8.419 -2.083 -5.395 1.00 0.00 C ATOM 1259 C LEU C 36 7.638 -3.259 -4.819 1.00 0.00 C ATOM 1260 O LEU C 36 7.810 -4.400 -5.249 1.00 0.00 O ATOM 1261 CB LEU C 36 9.585 -1.731 -4.459 1.00 0.00 C ATOM 1262 CG LEU C 36 10.444 -2.977 -4.182 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.937 -3.583 -5.504 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.642 -2.581 -3.311 1.00 0.00 C ATOM 0 H LEU C 36 7.842 -0.094 -5.053 1.00 0.00 H new ATOM 0 HA LEU C 36 8.811 -2.367 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.199 -0.951 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.199 -1.331 -3.521 1.00 0.00 H new ATOM 0 HG LEU C 36 9.843 -3.721 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.544 -4.464 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.081 -3.868 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.537 -2.848 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.254 -3.461 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.240 -1.834 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.285 -2.166 -2.368 1.00 0.00 H new ATOM 1276 N HIS C 37 6.783 -2.975 -3.845 1.00 0.00 N ATOM 1277 CA HIS C 37 5.990 -4.019 -3.217 1.00 0.00 C ATOM 1278 C HIS C 37 5.137 -4.735 -4.257 1.00 0.00 C ATOM 1279 O HIS C 37 4.992 -5.957 -4.218 1.00 0.00 O ATOM 1280 CB HIS C 37 5.091 -3.412 -2.143 1.00 0.00 C ATOM 1281 CG HIS C 37 4.290 -4.507 -1.494 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.413 -4.819 -0.151 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.359 -5.379 -1.994 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.574 -5.838 0.103 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.905 -6.214 -0.984 1.00 0.00 N ATOM 0 H HIS C 37 6.623 -2.038 -3.476 1.00 0.00 H new ATOM 0 HA HIS C 37 6.665 -4.741 -2.757 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.694 -2.894 -1.397 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.425 -2.671 -2.585 1.00 0.00 H new ATOM 0 HD2 HIS C 37 3.028 -5.411 -3.022 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.457 -6.297 1.074 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.209 -6.956 -1.058 1.00 0.00 H new ATOM 1293 N LEU C 38 4.580 -3.968 -5.185 1.00 0.00 N ATOM 1294 CA LEU C 38 3.743 -4.545 -6.232 1.00 0.00 C ATOM 1295 C LEU C 38 4.538 -5.525 -7.079 1.00 0.00 C ATOM 1296 O LEU C 38 4.032 -6.573 -7.467 1.00 0.00 O ATOM 1297 CB LEU C 38 3.171 -3.421 -7.123 1.00 0.00 C ATOM 1298 CG LEU C 38 1.816 -2.934 -6.569 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.517 -1.522 -7.076 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.693 -3.881 -7.032 1.00 0.00 C ATOM 0 H LEU C 38 4.690 -2.955 -5.236 1.00 0.00 H new ATOM 0 HA LEU C 38 2.922 -5.086 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.874 -2.589 -7.166 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.045 -3.785 -8.143 1.00 0.00 H new ATOM 0 HG LEU C 38 1.867 -2.926 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.558 -1.188 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.303 -0.843 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.476 -1.528 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.262 -3.533 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.654 -3.893 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.892 -4.888 -6.665 1.00 0.00 H new ATOM 1312 N ILE C 39 5.777 -5.191 -7.376 1.00 0.00 N ATOM 1313 CA ILE C 39 6.591 -6.070 -8.190 1.00 0.00 C ATOM 1314 C ILE C 39 6.703 -7.444 -7.538 1.00 0.00 C ATOM 1315 O ILE C 39 6.501 -8.470 -8.187 1.00 0.00 O ATOM 1316 CB ILE C 39 7.983 -5.465 -8.362 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.854 -4.079 -9.006 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.833 -6.373 -9.249 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.220 -3.384 -9.040 1.00 0.00 C ATOM 0 H ILE C 39 6.236 -4.333 -7.072 1.00 0.00 H new ATOM 0 HA ILE C 39 6.120 -6.184 -9.167 1.00 0.00 H new ATOM 0 HB ILE C 39 8.464 -5.370 -7.389 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.461 -4.175 -10.018 1.00 0.00 H new ATOM 0 HG13 ILE C 39 7.143 -3.473 -8.444 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.825 -5.938 -9.370 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.921 -7.356 -8.785 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.360 -6.474 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE C 39 9.117 -2.401 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.597 -3.272 -8.023 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.919 -3.984 -9.622 1.00 0.00 H new ATOM 1331 N LEU C 40 7.026 -7.460 -6.251 1.00 0.00 N ATOM 1332 CA LEU C 40 7.159 -8.720 -5.529 1.00 0.00 C ATOM 1333 C LEU C 40 5.804 -9.387 -5.316 1.00 0.00 C ATOM 1334 O LEU C 40 5.662 -10.598 -5.473 1.00 0.00 O ATOM 1335 CB LEU C 40 7.838 -8.465 -4.178 1.00 0.00 C ATOM 1336 CG LEU C 40 9.358 -8.327 -4.373 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.992 -9.683 -4.765 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.629 -7.287 -5.471 1.00 0.00 C ATOM 0 H LEU C 40 7.199 -6.626 -5.690 1.00 0.00 H new ATOM 0 HA LEU C 40 7.770 -9.395 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.437 -7.558 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.624 -9.285 -3.493 1.00 0.00 H new ATOM 0 HG LEU C 40 9.807 -8.004 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.067 -9.558 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.806 -10.413 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.551 -10.035 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.704 -7.183 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.167 -7.613 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.208 -6.326 -5.174 1.00 0.00 H new ATOM 1350 N TRP C 41 4.813 -8.588 -4.942 1.00 0.00 N ATOM 1351 CA TRP C 41 3.480 -9.119 -4.695 1.00 0.00 C ATOM 1352 C TRP C 41 2.865 -9.661 -5.978 1.00 0.00 C ATOM 1353 O TRP C 41 2.188 -10.687 -5.965 1.00 0.00 O ATOM 1354 CB TRP C 41 2.588 -8.036 -4.083 1.00 0.00 C ATOM 1355 CG TRP C 41 1.196 -8.557 -3.934 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.753 -9.320 -2.906 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.044 -8.328 -4.793 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.584 -9.606 -3.107 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.068 -9.007 -4.250 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.139 -7.608 -5.982 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.310 -8.975 -4.867 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.396 -7.567 -6.602 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.478 -8.251 -6.041 1.00 0.00 C ATOM 0 H TRP C 41 4.905 -7.582 -4.804 1.00 0.00 H new ATOM 0 HA TRP C 41 3.562 -9.945 -3.989 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.980 -7.734 -3.112 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.589 -7.149 -4.717 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.347 -9.651 -2.067 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.144 -10.189 -2.485 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.694 -7.081 -6.423 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.143 -9.511 -4.437 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.528 -7.006 -7.515 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.445 -8.217 -6.520 1.00 0.00 H new ATOM 1374 N ILE C 42 3.104 -8.969 -7.083 1.00 0.00 N ATOM 1375 CA ILE C 42 2.564 -9.394 -8.368 1.00 0.00 C ATOM 1376 C ILE C 42 3.123 -10.765 -8.743 1.00 0.00 C ATOM 1377 O ILE C 42 2.384 -11.649 -9.175 1.00 0.00 O ATOM 1378 CB ILE C 42 2.929 -8.360 -9.455 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.999 -7.143 -9.348 1.00 0.00 C ATOM 1380 CG2 ILE C 42 2.790 -8.979 -10.851 1.00 0.00 C ATOM 1381 CD1 ILE C 42 2.583 -5.981 -10.152 1.00 0.00 C ATOM 0 H ILE C 42 3.664 -8.117 -7.117 1.00 0.00 H new ATOM 0 HA ILE C 42 1.479 -9.465 -8.292 1.00 0.00 H new ATOM 0 HB ILE C 42 3.963 -8.049 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.007 -7.396 -9.723 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.881 -6.853 -8.304 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.051 -8.237 -11.606 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.459 -9.835 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE C 42 1.761 -9.305 -11.004 1.00 0.00 H new ATOM 0 HD11 ILE C 42 1.922 -5.117 -10.076 1.00 0.00 H new ATOM 0 HD12 ILE C 42 3.565 -5.722 -9.757 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.678 -6.274 -11.198 1.00 0.00 H new ATOM 1393 N LEU C 43 4.426 -10.929 -8.581 1.00 0.00 N ATOM 1394 CA LEU C 43 5.073 -12.189 -8.915 1.00 0.00 C ATOM 1395 C LEU C 43 4.538 -13.308 -8.031 1.00 0.00 C ATOM 1396 O LEU C 43 4.356 -14.437 -8.484 1.00 0.00 O ATOM 1397 CB LEU C 43 6.587 -12.063 -8.740 1.00 0.00 C ATOM 1398 CG LEU C 43 7.156 -11.103 -9.799 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.594 -10.733 -9.420 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.146 -11.758 -11.197 1.00 0.00 C ATOM 0 H LEU C 43 5.054 -10.210 -8.222 1.00 0.00 H new ATOM 0 HA LEU C 43 4.854 -12.429 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.817 -11.694 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU C 43 7.056 -13.042 -8.834 1.00 0.00 H new ATOM 0 HG LEU C 43 6.533 -10.209 -9.832 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.003 -10.053 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.600 -10.247 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.203 -11.636 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.553 -11.060 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.755 -12.662 -11.180 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.123 -12.015 -11.471 1.00 0.00 H new ATOM 1653 N VAL D 28 3.413 11.495 7.087 1.00 0.00 N ATOM 1654 CA VAL D 28 4.420 10.682 7.756 1.00 0.00 C ATOM 1655 C VAL D 28 3.826 9.348 8.200 1.00 0.00 C ATOM 1656 O VAL D 28 4.442 8.296 8.023 1.00 0.00 O ATOM 1657 CB VAL D 28 4.969 11.428 8.974 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.956 10.528 9.721 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.682 12.701 8.514 1.00 0.00 C ATOM 0 HA VAL D 28 5.229 10.490 7.052 1.00 0.00 H new ATOM 0 HB VAL D 28 4.147 11.694 9.639 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.347 11.059 10.589 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.446 9.622 10.049 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.779 10.261 9.058 1.00 0.00 H new ATOM 0 HG21 VAL D 28 6.073 13.233 9.381 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.504 12.437 7.849 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.977 13.341 7.984 1.00 0.00 H new ATOM 1669 N ALA D 29 2.631 9.398 8.778 1.00 0.00 N ATOM 1670 CA ALA D 29 1.972 8.186 9.245 1.00 0.00 C ATOM 1671 C ALA D 29 1.771 7.209 8.091 1.00 0.00 C ATOM 1672 O ALA D 29 1.945 6.002 8.252 1.00 0.00 O ATOM 1673 CB ALA D 29 0.613 8.533 9.858 1.00 0.00 C ATOM 0 H ALA D 29 2.103 10.257 8.933 1.00 0.00 H new ATOM 0 HA ALA D 29 2.605 7.719 10.000 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.127 7.621 10.205 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.756 9.211 10.700 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.013 9.015 9.107 1.00 0.00 H new ATOM 1679 N ALA D 30 1.412 7.736 6.927 1.00 0.00 N ATOM 1680 CA ALA D 30 1.194 6.890 5.761 1.00 0.00 C ATOM 1681 C ALA D 30 2.461 6.114 5.414 1.00 0.00 C ATOM 1682 O ALA D 30 2.411 4.912 5.152 1.00 0.00 O ATOM 1683 CB ALA D 30 0.776 7.748 4.567 1.00 0.00 C ATOM 0 H ALA D 30 1.267 8.733 6.766 1.00 0.00 H new ATOM 0 HA ALA D 30 0.401 6.179 5.995 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.615 7.109 3.699 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.147 8.277 4.805 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.562 8.470 4.345 1.00 0.00 H new ATOM 1689 N ASN D 31 3.595 6.807 5.409 1.00 0.00 N ATOM 1690 CA ASN D 31 4.864 6.168 5.089 1.00 0.00 C ATOM 1691 C ASN D 31 5.225 5.122 6.140 1.00 0.00 C ATOM 1692 O ASN D 31 5.681 4.026 5.809 1.00 0.00 O ATOM 1693 CB ASN D 31 5.971 7.219 5.022 1.00 0.00 C ATOM 1694 CG ASN D 31 7.309 6.551 4.721 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.431 5.817 3.742 1.00 0.00 O ATOM 1696 ND2 ASN D 31 8.326 6.767 5.511 1.00 0.00 N ATOM 0 H ASN D 31 3.661 7.803 5.621 1.00 0.00 H new ATOM 0 HA ASN D 31 4.764 5.675 4.122 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.740 7.953 4.250 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.029 7.758 5.967 1.00 0.00 H new ATOM 0 HD21 ASN D 31 9.225 6.326 5.317 1.00 0.00 H new ATOM 0 HD22 ASN D 31 8.221 7.376 6.322 1.00 0.00 H new ATOM 1703 N ILE D 32 5.024 5.468 7.408 1.00 0.00 N ATOM 1704 CA ILE D 32 5.337 4.551 8.498 1.00 0.00 C ATOM 1705 C ILE D 32 4.448 3.313 8.428 1.00 0.00 C ATOM 1706 O ILE D 32 4.918 2.186 8.590 1.00 0.00 O ATOM 1707 CB ILE D 32 5.142 5.254 9.845 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.194 6.356 10.001 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.299 4.240 10.984 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.847 7.227 11.209 1.00 0.00 C ATOM 0 H ILE D 32 4.649 6.369 7.704 1.00 0.00 H new ATOM 0 HA ILE D 32 6.377 4.240 8.401 1.00 0.00 H new ATOM 0 HB ILE D 32 4.144 5.690 9.883 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.182 5.914 10.130 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.233 6.966 9.099 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.160 4.743 11.941 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.553 3.453 10.876 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.296 3.802 10.946 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.596 8.011 11.319 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.867 7.680 11.061 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.831 6.612 12.109 1.00 0.00 H new ATOM 1722 N ILE D 33 3.159 3.530 8.188 1.00 0.00 N ATOM 1723 CA ILE D 33 2.211 2.426 8.104 1.00 0.00 C ATOM 1724 C ILE D 33 2.540 1.528 6.914 1.00 0.00 C ATOM 1725 O ILE D 33 2.514 0.302 7.024 1.00 0.00 O ATOM 1726 CB ILE D 33 0.787 2.975 7.963 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.376 3.669 9.266 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.182 1.826 7.679 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.857 4.539 9.013 1.00 0.00 C ATOM 0 H ILE D 33 2.749 4.454 8.049 1.00 0.00 H new ATOM 0 HA ILE D 33 2.282 1.834 9.017 1.00 0.00 H new ATOM 0 HB ILE D 33 0.757 3.689 7.140 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.159 2.926 10.034 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.197 4.282 9.639 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.194 2.219 7.579 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.106 1.327 6.754 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.150 1.111 8.501 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.150 5.033 9.939 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.623 5.291 8.259 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.677 3.914 8.660 1.00 0.00 H new ATOM 1741 N GLY D 34 2.847 2.143 5.778 1.00 0.00 N ATOM 1742 CA GLY D 34 3.169 1.384 4.576 1.00 0.00 C ATOM 1743 C GLY D 34 4.399 0.511 4.797 1.00 0.00 C ATOM 1744 O GLY D 34 4.401 -0.676 4.470 1.00 0.00 O ATOM 0 H GLY D 34 2.880 3.156 5.664 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.320 0.760 4.297 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.348 2.068 3.746 1.00 0.00 H new ATOM 1748 N ILE D 35 5.443 1.109 5.360 1.00 0.00 N ATOM 1749 CA ILE D 35 6.677 0.378 5.626 1.00 0.00 C ATOM 1750 C ILE D 35 6.419 -0.735 6.632 1.00 0.00 C ATOM 1751 O ILE D 35 6.908 -1.853 6.472 1.00 0.00 O ATOM 1752 CB ILE D 35 7.745 1.330 6.168 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.152 2.311 5.068 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.977 0.527 6.602 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.993 3.438 5.666 1.00 0.00 C ATOM 0 H ILE D 35 5.461 2.090 5.639 1.00 0.00 H new ATOM 0 HA ILE D 35 7.032 -0.061 4.694 1.00 0.00 H new ATOM 0 HB ILE D 35 7.343 1.875 7.022 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.720 1.791 4.296 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.264 2.723 4.588 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.737 1.207 6.988 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.694 -0.181 7.381 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.377 -0.016 5.746 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.281 4.135 4.878 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.410 3.965 6.422 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.889 3.019 6.125 1.00 0.00 H new ATOM 1767 N LEU D 36 5.652 -0.422 7.670 1.00 0.00 N ATOM 1768 CA LEU D 36 5.347 -1.406 8.700 1.00 0.00 C ATOM 1769 C LEU D 36 4.640 -2.613 8.094 1.00 0.00 C ATOM 1770 O LEU D 36 4.935 -3.757 8.442 1.00 0.00 O ATOM 1771 CB LEU D 36 4.459 -0.778 9.783 1.00 0.00 C ATOM 1772 CG LEU D 36 4.042 -1.840 10.814 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.287 -2.511 11.415 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.228 -1.170 11.927 1.00 0.00 C ATOM 0 H LEU D 36 5.234 0.496 7.820 1.00 0.00 H new ATOM 0 HA LEU D 36 6.284 -1.735 9.149 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.996 0.030 10.280 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.573 -0.338 9.326 1.00 0.00 H new ATOM 0 HG LEU D 36 3.436 -2.601 10.322 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.980 -3.261 12.144 1.00 0.00 H new ATOM 0 HD12 LEU D 36 5.861 -2.989 10.622 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.904 -1.759 11.907 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.930 -1.919 12.661 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.836 -0.407 12.413 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.339 -0.707 11.499 1.00 0.00 H new ATOM 1786 N HIS D 37 3.706 -2.352 7.190 1.00 0.00 N ATOM 1787 CA HIS D 37 2.959 -3.423 6.549 1.00 0.00 C ATOM 1788 C HIS D 37 3.907 -4.375 5.831 1.00 0.00 C ATOM 1789 O HIS D 37 3.725 -5.592 5.867 1.00 0.00 O ATOM 1790 CB HIS D 37 1.968 -2.840 5.547 1.00 0.00 C ATOM 1791 CG HIS D 37 1.192 -3.959 4.913 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.177 -4.093 5.062 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.584 -5.014 4.128 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.553 -5.190 4.384 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.481 -5.787 3.794 1.00 0.00 N ATOM 0 H HIS D 37 3.449 -1.413 6.886 1.00 0.00 H new ATOM 0 HA HIS D 37 2.416 -3.974 7.317 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.290 -2.149 6.048 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.497 -2.270 4.783 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.599 -5.213 3.817 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.571 -5.545 4.325 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.466 -6.630 3.220 1.00 0.00 H new ATOM 1803 N LEU D 38 4.919 -3.815 5.185 1.00 0.00 N ATOM 1804 CA LEU D 38 5.892 -4.625 4.459 1.00 0.00 C ATOM 1805 C LEU D 38 6.621 -5.567 5.406 1.00 0.00 C ATOM 1806 O LEU D 38 6.881 -6.717 5.068 1.00 0.00 O ATOM 1807 CB LEU D 38 6.907 -3.711 3.740 1.00 0.00 C ATOM 1808 CG LEU D 38 6.408 -3.364 2.321 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.079 -2.080 1.828 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.745 -4.510 1.351 1.00 0.00 C ATOM 0 H LEU D 38 5.089 -2.810 5.147 1.00 0.00 H new ATOM 0 HA LEU D 38 5.360 -5.223 3.719 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.053 -2.796 4.315 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.875 -4.208 3.680 1.00 0.00 H new ATOM 0 HG LEU D 38 5.328 -3.220 2.358 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.720 -1.844 0.826 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.836 -1.260 2.503 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.160 -2.221 1.803 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.390 -4.257 0.352 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.824 -4.659 1.325 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.260 -5.426 1.688 1.00 0.00 H new ATOM 1822 N ILE D 39 6.958 -5.087 6.585 1.00 0.00 N ATOM 1823 CA ILE D 39 7.667 -5.923 7.534 1.00 0.00 C ATOM 1824 C ILE D 39 6.858 -7.177 7.844 1.00 0.00 C ATOM 1825 O ILE D 39 7.385 -8.292 7.812 1.00 0.00 O ATOM 1826 CB ILE D 39 7.914 -5.137 8.822 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.717 -3.873 8.495 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.690 -6.004 9.813 1.00 0.00 C ATOM 1829 CD1 ILE D 39 8.828 -2.982 9.739 1.00 0.00 C ATOM 0 H ILE D 39 6.758 -4.140 6.906 1.00 0.00 H new ATOM 0 HA ILE D 39 8.621 -6.221 7.099 1.00 0.00 H new ATOM 0 HB ILE D 39 6.960 -4.856 9.268 1.00 0.00 H new ATOM 0 HG12 ILE D 39 9.712 -4.146 8.144 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.233 -3.324 7.687 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.865 -5.441 10.730 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.113 -6.900 10.042 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.646 -6.290 9.375 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.400 -2.087 9.496 1.00 0.00 H new ATOM 0 HD12 ILE D 39 7.830 -2.695 10.072 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.332 -3.530 10.535 1.00 0.00 H new ATOM 1841 N LEU D 40 5.579 -6.995 8.141 1.00 0.00 N ATOM 1842 CA LEU D 40 4.716 -8.129 8.453 1.00 0.00 C ATOM 1843 C LEU D 40 4.422 -8.963 7.209 1.00 0.00 C ATOM 1844 O LEU D 40 4.431 -10.193 7.255 1.00 0.00 O ATOM 1845 CB LEU D 40 3.405 -7.619 9.066 1.00 0.00 C ATOM 1846 CG LEU D 40 3.619 -7.277 10.550 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.852 -8.559 11.383 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.833 -6.342 10.678 1.00 0.00 C ATOM 0 H LEU D 40 5.119 -6.085 8.173 1.00 0.00 H new ATOM 0 HA LEU D 40 5.233 -8.769 9.168 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.060 -6.737 8.527 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.628 -8.377 8.967 1.00 0.00 H new ATOM 0 HG LEU D 40 2.726 -6.783 10.933 1.00 0.00 H new ATOM 0 HD11 LEU D 40 4.001 -8.291 12.429 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.984 -9.212 11.296 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.736 -9.078 11.012 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.992 -6.094 11.727 1.00 0.00 H new ATOM 0 HD22 LEU D 40 5.719 -6.840 10.284 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.649 -5.428 10.113 1.00 0.00 H new ATOM 1860 N TRP D 41 4.144 -8.287 6.102 1.00 0.00 N ATOM 1861 CA TRP D 41 3.830 -8.979 4.861 1.00 0.00 C ATOM 1862 C TRP D 41 5.043 -9.751 4.352 1.00 0.00 C ATOM 1863 O TRP D 41 4.910 -10.860 3.835 1.00 0.00 O ATOM 1864 CB TRP D 41 3.345 -7.982 3.808 1.00 0.00 C ATOM 1865 CG TRP D 41 3.135 -8.688 2.506 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.025 -9.386 2.165 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.011 -8.732 1.345 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.192 -9.893 0.889 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.394 -9.507 0.342 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.273 -8.184 1.074 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.009 -9.732 -0.886 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.891 -8.402 -0.166 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.257 -9.174 -1.141 1.00 0.00 C ATOM 0 H TRP D 41 4.130 -7.269 6.038 1.00 0.00 H new ATOM 0 HA TRP D 41 3.031 -9.694 5.056 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.415 -7.516 4.135 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.076 -7.183 3.686 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.153 -9.524 2.787 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.508 -10.481 0.412 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.772 -7.590 1.825 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.520 -10.336 -1.636 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.861 -7.971 -0.367 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.736 -9.338 -2.095 1.00 0.00 H new ATOM 1884 N ILE D 42 6.220 -9.163 4.504 1.00 0.00 N ATOM 1885 CA ILE D 42 7.447 -9.810 4.053 1.00 0.00 C ATOM 1886 C ILE D 42 7.662 -11.115 4.816 1.00 0.00 C ATOM 1887 O ILE D 42 7.989 -12.145 4.224 1.00 0.00 O ATOM 1888 CB ILE D 42 8.647 -8.863 4.273 1.00 0.00 C ATOM 1889 CG1 ILE D 42 8.678 -7.798 3.169 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.963 -9.651 4.250 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.615 -6.661 3.582 1.00 0.00 C ATOM 0 H ILE D 42 6.353 -8.247 4.932 1.00 0.00 H new ATOM 0 HA ILE D 42 7.361 -10.036 2.990 1.00 0.00 H new ATOM 0 HB ILE D 42 8.535 -8.383 5.245 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.017 -8.240 2.232 1.00 0.00 H new ATOM 0 HG13 ILE D 42 7.674 -7.411 2.994 1.00 0.00 H new ATOM 0 HG21 ILE D 42 10.798 -8.969 4.406 1.00 0.00 H new ATOM 0 HG22 ILE D 42 9.953 -10.400 5.042 1.00 0.00 H new ATOM 0 HG23 ILE D 42 10.074 -10.145 3.285 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.637 -5.904 2.798 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.257 -6.213 4.509 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.620 -7.055 3.734 1.00 0.00 H new ATOM 1903 N LEU D 43 7.485 -11.062 6.126 1.00 0.00 N ATOM 1904 CA LEU D 43 7.673 -12.242 6.958 1.00 0.00 C ATOM 1905 C LEU D 43 6.665 -13.320 6.582 1.00 0.00 C ATOM 1906 O LEU D 43 6.982 -14.506 6.578 1.00 0.00 O ATOM 1907 CB LEU D 43 7.516 -11.871 8.434 1.00 0.00 C ATOM 1908 CG LEU D 43 8.680 -10.964 8.870 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.349 -10.338 10.227 1.00 0.00 C ATOM 1910 CD2 LEU D 43 9.992 -11.770 8.983 1.00 0.00 C ATOM 0 H LEU D 43 7.213 -10.221 6.635 1.00 0.00 H new ATOM 0 HA LEU D 43 8.678 -12.630 6.793 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.566 -11.360 8.591 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.497 -12.773 9.045 1.00 0.00 H new ATOM 0 HG LEU D 43 8.816 -10.185 8.120 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.171 -9.694 10.541 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.437 -9.747 10.142 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.203 -11.126 10.966 1.00 0.00 H new ATOM 0 HD21 LEU D 43 10.800 -11.108 9.293 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.870 -12.563 9.721 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.233 -12.210 8.015 1.00 0.00 H new