USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=4 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 :FLIP amide:sc= -0.58 F(o=-3.1!,f=-0.58) USER MOD Single : A 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-13!) USER MOD Single : B 31 ASN :FLIP amide:sc= -0.323 F(o=-2.5!,f=-0.32) USER MOD Single : B 37 HIS : no HD1:sc= -9.86! C(o=-9.9!,f=-13!) USER MOD Single : C 31 ASN :FLIP amide:sc= -0.231 F(o=-2.4!,f=-0.23) USER MOD Single : C 37 HIS : no HD1:sc= -9.55! C(o=-9.5!,f=-13!) USER MOD Single : D 31 ASN :FLIP amide:sc= -0.247 F(o=-2.4!,f=-0.25) USER MOD Single : D 37 HIS : no HD1:sc= -9.61! C(o=-9.6!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.667 12.542 1.278 1.00 0.00 N ATOM 124 CA VAL A 28 -6.429 12.091 2.438 1.00 0.00 C ATOM 125 C VAL A 28 -7.085 10.742 2.157 1.00 0.00 C ATOM 126 O VAL A 28 -7.055 9.840 2.995 1.00 0.00 O ATOM 127 CB VAL A 28 -7.504 13.121 2.790 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.376 12.587 3.929 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.836 14.425 3.229 1.00 0.00 C ATOM 0 HA VAL A 28 -5.744 11.981 3.279 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.127 13.306 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.141 13.323 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.854 11.658 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.755 12.399 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.601 15.159 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.212 14.238 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.218 14.808 2.417 1.00 0.00 H new ATOM 139 N ALA A 29 -7.680 10.610 0.974 1.00 0.00 N ATOM 140 CA ALA A 29 -8.343 9.364 0.601 1.00 0.00 C ATOM 141 C ALA A 29 -7.345 8.213 0.577 1.00 0.00 C ATOM 142 O ALA A 29 -7.660 7.101 0.994 1.00 0.00 O ATOM 143 CB ALA A 29 -8.985 9.502 -0.782 1.00 0.00 C ATOM 0 H ALA A 29 -7.717 11.342 0.264 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.114 9.154 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.477 8.567 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.721 10.306 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.215 9.732 -1.519 1.00 0.00 H new ATOM 149 N ALA A 30 -6.143 8.484 0.087 1.00 0.00 N ATOM 150 CA ALA A 30 -5.118 7.453 0.012 1.00 0.00 C ATOM 151 C ALA A 30 -4.748 6.955 1.407 1.00 0.00 C ATOM 152 O ALA A 30 -4.556 5.757 1.617 1.00 0.00 O ATOM 153 CB ALA A 30 -3.873 8.006 -0.681 1.00 0.00 C ATOM 0 H ALA A 30 -5.856 9.399 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.515 6.617 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.110 7.229 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.131 8.330 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.488 8.854 -0.115 1.00 0.00 H new ATOM 159 N ASN A 31 -4.650 7.880 2.356 1.00 0.00 N ATOM 160 CA ASN A 31 -4.302 7.515 3.724 1.00 0.00 C ATOM 161 C ASN A 31 -5.389 6.631 4.336 1.00 0.00 C ATOM 162 O ASN A 31 -5.091 5.626 4.983 1.00 0.00 O ATOM 163 CB ASN A 31 -4.137 8.779 4.570 1.00 0.00 C ATOM 164 CG ASN A 31 -2.915 9.570 4.110 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.034 9.006 3.330 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -2.762 10.737 4.467 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.805 8.877 2.206 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.364 6.960 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.031 9.398 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.030 8.510 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.450 11.178 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.947 11.264 4.153 1.00 0.00 H new ATOM 173 N ILE A 32 -6.644 7.010 4.122 1.00 0.00 N ATOM 174 CA ILE A 32 -7.770 6.244 4.647 1.00 0.00 C ATOM 175 C ILE A 32 -7.840 4.873 3.984 1.00 0.00 C ATOM 176 O ILE A 32 -8.072 3.860 4.645 1.00 0.00 O ATOM 177 CB ILE A 32 -9.080 7.009 4.413 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.085 8.275 5.272 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.270 6.125 4.803 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.238 9.181 4.835 1.00 0.00 C ATOM 0 H ILE A 32 -6.908 7.840 3.591 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.625 6.104 5.718 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.160 7.278 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.193 8.013 6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.136 8.801 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.199 6.671 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.266 5.220 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.193 5.854 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.243 10.084 5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.110 9.453 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.183 8.653 4.960 1.00 0.00 H new ATOM 192 N ILE A 33 -7.647 4.852 2.670 1.00 0.00 N ATOM 193 CA ILE A 33 -7.701 3.606 1.917 1.00 0.00 C ATOM 194 C ILE A 33 -6.601 2.650 2.386 1.00 0.00 C ATOM 195 O ILE A 33 -6.842 1.455 2.561 1.00 0.00 O ATOM 196 CB ILE A 33 -7.531 3.903 0.417 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.765 4.673 -0.120 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.352 2.589 -0.354 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.889 3.708 -0.526 1.00 0.00 C ATOM 0 H ILE A 33 -7.453 5.680 2.107 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.668 3.133 2.086 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.646 4.523 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.130 5.359 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.474 5.278 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.232 2.804 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.467 2.069 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.230 1.959 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.741 4.277 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.530 3.039 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.196 3.122 0.340 1.00 0.00 H new ATOM 211 N GLY A 34 -5.393 3.178 2.585 1.00 0.00 N ATOM 212 CA GLY A 34 -4.277 2.351 3.030 1.00 0.00 C ATOM 213 C GLY A 34 -4.573 1.716 4.388 1.00 0.00 C ATOM 214 O GLY A 34 -4.363 0.519 4.582 1.00 0.00 O ATOM 0 H GLY A 34 -5.166 4.163 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.082 1.571 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.374 2.958 3.097 1.00 0.00 H new ATOM 218 N ILE A 35 -5.072 2.525 5.319 1.00 0.00 N ATOM 219 CA ILE A 35 -5.403 2.031 6.652 1.00 0.00 C ATOM 220 C ILE A 35 -6.542 1.014 6.574 1.00 0.00 C ATOM 221 O ILE A 35 -6.506 -0.023 7.234 1.00 0.00 O ATOM 222 CB ILE A 35 -5.804 3.200 7.560 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.583 4.089 7.808 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.315 2.657 8.899 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.024 5.390 8.481 1.00 0.00 C ATOM 0 H ILE A 35 -5.255 3.518 5.177 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.525 1.540 7.071 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.591 3.781 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.863 3.568 8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.082 4.307 6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.600 3.488 9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.181 2.019 8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.528 2.077 9.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.153 6.022 8.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.728 5.914 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.505 5.163 9.432 1.00 0.00 H new ATOM 237 N LEU A 36 -7.552 1.323 5.761 1.00 0.00 N ATOM 238 CA LEU A 36 -8.699 0.431 5.606 1.00 0.00 C ATOM 239 C LEU A 36 -8.238 -0.928 5.078 1.00 0.00 C ATOM 240 O LEU A 36 -8.747 -1.972 5.481 1.00 0.00 O ATOM 241 CB LEU A 36 -9.722 1.043 4.636 1.00 0.00 C ATOM 242 CG LEU A 36 -11.113 0.399 4.848 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.878 1.145 5.950 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.923 0.472 3.550 1.00 0.00 C ATOM 0 H LEU A 36 -7.599 2.176 5.204 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.170 0.297 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.784 2.120 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.395 0.890 3.607 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.972 -0.642 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.855 0.683 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.315 1.094 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.008 2.188 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.901 0.017 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.050 1.515 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.395 -0.064 2.761 1.00 0.00 H new ATOM 256 N HIS A 37 -7.273 -0.906 4.174 1.00 0.00 N ATOM 257 CA HIS A 37 -6.752 -2.142 3.613 1.00 0.00 C ATOM 258 C HIS A 37 -6.042 -2.962 4.684 1.00 0.00 C ATOM 259 O HIS A 37 -6.180 -4.183 4.734 1.00 0.00 O ATOM 260 CB HIS A 37 -5.765 -1.832 2.488 1.00 0.00 C ATOM 261 CG HIS A 37 -5.267 -3.124 1.900 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.493 -3.472 0.579 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.554 -4.163 2.444 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.925 -4.675 0.379 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.341 -5.140 1.484 1.00 0.00 N ATOM 0 H HIS A 37 -6.838 -0.056 3.816 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.591 -2.716 3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.249 -1.230 1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.929 -1.247 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.210 -4.212 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.940 -5.201 -0.564 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.845 -6.024 1.598 1.00 0.00 H new ATOM 273 N LEU A 38 -5.250 -2.290 5.515 1.00 0.00 N ATOM 274 CA LEU A 38 -4.482 -2.977 6.554 1.00 0.00 C ATOM 275 C LEU A 38 -5.386 -3.741 7.523 1.00 0.00 C ATOM 276 O LEU A 38 -5.121 -4.898 7.831 1.00 0.00 O ATOM 277 CB LEU A 38 -3.632 -1.938 7.322 1.00 0.00 C ATOM 278 CG LEU A 38 -2.162 -2.000 6.868 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.454 -0.710 7.274 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.454 -3.196 7.521 1.00 0.00 C ATOM 0 H LEU A 38 -5.122 -1.278 5.492 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.835 -3.711 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.029 -0.937 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.696 -2.128 8.393 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.129 -2.117 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.413 -0.750 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.946 0.140 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.497 -0.597 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.415 -3.228 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.488 -3.091 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.956 -4.119 7.230 1.00 0.00 H new ATOM 292 N ILE A 39 -6.438 -3.097 8.004 1.00 0.00 N ATOM 293 CA ILE A 39 -7.344 -3.751 8.937 1.00 0.00 C ATOM 294 C ILE A 39 -7.971 -4.983 8.285 1.00 0.00 C ATOM 295 O ILE A 39 -8.106 -6.034 8.915 1.00 0.00 O ATOM 296 CB ILE A 39 -8.422 -2.762 9.399 1.00 0.00 C ATOM 297 CG1 ILE A 39 -9.049 -2.092 8.179 1.00 0.00 C ATOM 298 CG2 ILE A 39 -7.783 -1.694 10.287 1.00 0.00 C ATOM 299 CD1 ILE A 39 -10.171 -1.147 8.614 1.00 0.00 C ATOM 0 H ILE A 39 -6.684 -2.136 7.769 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.784 -4.080 9.812 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.189 -3.295 9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.289 -1.537 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.444 -2.849 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.547 -0.990 10.617 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.328 -2.168 11.156 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.018 -1.161 9.722 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.610 -0.675 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.938 -1.712 9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.765 -0.380 9.273 1.00 0.00 H new ATOM 311 N LEU A 40 -8.349 -4.854 7.018 1.00 0.00 N ATOM 312 CA LEU A 40 -8.947 -5.971 6.294 1.00 0.00 C ATOM 313 C LEU A 40 -7.911 -7.064 5.995 1.00 0.00 C ATOM 314 O LEU A 40 -8.187 -8.252 6.167 1.00 0.00 O ATOM 315 CB LEU A 40 -9.566 -5.454 4.986 1.00 0.00 C ATOM 316 CG LEU A 40 -10.921 -4.770 5.277 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.255 -3.781 4.156 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.041 -5.819 5.357 1.00 0.00 C ATOM 0 H LEU A 40 -8.254 -3.996 6.475 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.722 -6.414 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.888 -4.747 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.709 -6.280 4.290 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.844 -4.244 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.211 -3.302 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.475 -3.022 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.317 -4.314 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.990 -5.323 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.108 -6.353 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.821 -6.526 6.157 1.00 0.00 H new ATOM 330 N TRP A 41 -6.722 -6.658 5.545 1.00 0.00 N ATOM 331 CA TRP A 41 -5.661 -7.612 5.222 1.00 0.00 C ATOM 332 C TRP A 41 -5.151 -8.316 6.480 1.00 0.00 C ATOM 333 O TRP A 41 -5.025 -9.541 6.506 1.00 0.00 O ATOM 334 CB TRP A 41 -4.507 -6.886 4.510 1.00 0.00 C ATOM 335 CG TRP A 41 -3.295 -7.766 4.436 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.053 -8.693 3.481 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.144 -7.790 5.325 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.836 -9.299 3.743 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.236 -8.770 4.866 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.805 -7.061 6.479 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -0.038 -9.016 5.531 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.595 -7.305 7.140 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.285 -8.279 6.668 1.00 0.00 C ATOM 0 H TRP A 41 -6.471 -5.680 5.397 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.072 -8.372 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.816 -6.599 3.505 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.264 -5.967 5.044 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.703 -8.923 2.650 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.433 -10.045 3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.482 -6.309 6.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.638 -9.775 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.341 -6.735 8.022 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.216 -8.462 7.184 1.00 0.00 H new ATOM 354 N ILE A 42 -4.848 -7.542 7.517 1.00 0.00 N ATOM 355 CA ILE A 42 -4.343 -8.118 8.759 1.00 0.00 C ATOM 356 C ILE A 42 -5.413 -8.997 9.407 1.00 0.00 C ATOM 357 O ILE A 42 -5.125 -10.081 9.907 1.00 0.00 O ATOM 358 CB ILE A 42 -3.916 -7.000 9.725 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.065 -7.588 10.857 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.155 -6.323 10.327 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.451 -6.447 11.673 1.00 0.00 C ATOM 0 H ILE A 42 -4.942 -6.526 7.524 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.474 -8.736 8.532 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.333 -6.263 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.679 -8.220 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.278 -8.220 10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.842 -5.533 11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.760 -5.894 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.744 -7.061 10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.845 -6.861 12.479 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.824 -5.833 11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.246 -5.833 12.096 1.00 0.00 H new ATOM 373 N LEU A 43 -6.653 -8.519 9.388 1.00 0.00 N ATOM 374 CA LEU A 43 -7.758 -9.273 9.968 1.00 0.00 C ATOM 375 C LEU A 43 -7.966 -10.584 9.217 1.00 0.00 C ATOM 376 O LEU A 43 -8.208 -11.626 9.822 1.00 0.00 O ATOM 377 CB LEU A 43 -9.043 -8.433 9.928 1.00 0.00 C ATOM 378 CG LEU A 43 -10.232 -9.245 10.463 1.00 0.00 C ATOM 379 CD1 LEU A 43 -9.929 -9.762 11.879 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.469 -8.345 10.505 1.00 0.00 C ATOM 0 H LEU A 43 -6.916 -7.621 8.981 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.514 -9.504 11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.913 -7.530 10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.244 -8.113 8.906 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.410 -10.098 9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.780 -10.336 12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.045 -10.400 11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.747 -8.917 12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.319 -8.912 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.279 -7.495 11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.691 -7.985 9.500 1.00 0.00 H new ATOM 633 N VAL B 28 -0.290 11.538 -7.601 1.00 0.00 N ATOM 634 CA VAL B 28 -1.496 11.071 -8.275 1.00 0.00 C ATOM 635 C VAL B 28 -1.341 9.614 -8.702 1.00 0.00 C ATOM 636 O VAL B 28 -2.251 8.805 -8.525 1.00 0.00 O ATOM 637 CB VAL B 28 -1.778 11.939 -9.504 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.975 11.371 -10.272 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.094 13.367 -9.057 1.00 0.00 C ATOM 0 HA VAL B 28 -2.331 11.147 -7.579 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.901 11.944 -10.151 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.174 11.991 -11.146 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.752 10.353 -10.592 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.852 11.364 -9.625 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.295 13.986 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.970 13.360 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.243 13.774 -8.512 1.00 0.00 H new ATOM 649 N ALA B 29 -0.184 9.285 -9.271 1.00 0.00 N ATOM 650 CA ALA B 29 0.072 7.923 -9.722 1.00 0.00 C ATOM 651 C ALA B 29 0.017 6.951 -8.550 1.00 0.00 C ATOM 652 O ALA B 29 -0.498 5.843 -8.677 1.00 0.00 O ATOM 653 CB ALA B 29 1.450 7.837 -10.383 1.00 0.00 C ATOM 0 H ALA B 29 0.584 9.937 -9.429 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.698 7.654 -10.445 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.631 6.815 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.485 8.510 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.217 8.125 -9.664 1.00 0.00 H new ATOM 659 N ALA B 30 0.552 7.371 -7.410 1.00 0.00 N ATOM 660 CA ALA B 30 0.556 6.517 -6.229 1.00 0.00 C ATOM 661 C ALA B 30 -0.869 6.207 -5.782 1.00 0.00 C ATOM 662 O ALA B 30 -1.175 5.078 -5.396 1.00 0.00 O ATOM 663 CB ALA B 30 1.313 7.204 -5.092 1.00 0.00 C ATOM 0 H ALA B 30 0.984 8.286 -7.278 1.00 0.00 H new ATOM 0 HA ALA B 30 1.053 5.581 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.312 6.560 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.341 7.394 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.827 8.149 -4.850 1.00 0.00 H new ATOM 669 N ASN B 31 -1.735 7.213 -5.830 1.00 0.00 N ATOM 670 CA ASN B 31 -3.123 7.027 -5.422 1.00 0.00 C ATOM 671 C ASN B 31 -3.826 6.035 -6.348 1.00 0.00 C ATOM 672 O ASN B 31 -4.547 5.149 -5.889 1.00 0.00 O ATOM 673 CB ASN B 31 -3.856 8.370 -5.462 1.00 0.00 C ATOM 674 CG ASN B 31 -3.304 9.305 -4.388 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.572 8.824 -3.421 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 -3.538 10.510 -4.439 1.00 0.00 N flip ATOM 0 H ASN B 31 -1.505 8.156 -6.144 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.137 6.631 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.741 8.826 -6.445 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.923 8.215 -5.305 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.110 10.887 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.160 11.134 -3.726 1.00 0.00 H new ATOM 683 N ILE B 32 -3.604 6.187 -7.650 1.00 0.00 N ATOM 684 CA ILE B 32 -4.213 5.296 -8.633 1.00 0.00 C ATOM 685 C ILE B 32 -3.667 3.880 -8.479 1.00 0.00 C ATOM 686 O ILE B 32 -4.415 2.904 -8.540 1.00 0.00 O ATOM 687 CB ILE B 32 -3.936 5.813 -10.049 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.686 7.131 -10.261 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.421 4.785 -11.079 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.196 7.796 -11.548 1.00 0.00 C ATOM 0 H ILE B 32 -3.010 6.915 -8.048 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.290 5.274 -8.465 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.865 5.972 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.759 6.946 -10.320 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.524 7.795 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.222 5.156 -12.085 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.894 3.843 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.492 4.625 -10.956 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.730 8.734 -11.699 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.127 7.995 -11.470 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.381 7.133 -12.393 1.00 0.00 H new ATOM 702 N ILE B 33 -2.356 3.779 -8.289 1.00 0.00 N ATOM 703 CA ILE B 33 -1.712 2.480 -8.142 1.00 0.00 C ATOM 704 C ILE B 33 -2.241 1.760 -6.898 1.00 0.00 C ATOM 705 O ILE B 33 -2.520 0.562 -6.939 1.00 0.00 O ATOM 706 CB ILE B 33 -0.190 2.672 -8.026 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.389 3.180 -9.371 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.471 1.341 -7.638 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.698 2.014 -10.318 1.00 0.00 C ATOM 0 H ILE B 33 -1.722 4.576 -8.233 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.937 1.872 -9.018 1.00 0.00 H new ATOM 0 HB ILE B 33 0.017 3.414 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.323 3.857 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.298 3.752 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.549 1.480 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.075 1.004 -6.680 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.258 0.593 -8.402 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.103 2.402 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.429 1.352 -9.853 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.217 1.458 -10.522 1.00 0.00 H new ATOM 721 N GLY B 34 -2.373 2.492 -5.793 1.00 0.00 N ATOM 722 CA GLY B 34 -2.867 1.897 -4.553 1.00 0.00 C ATOM 723 C GLY B 34 -4.278 1.343 -4.738 1.00 0.00 C ATOM 724 O GLY B 34 -4.571 0.219 -4.332 1.00 0.00 O ATOM 0 H GLY B 34 -2.148 3.485 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.197 1.098 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.867 2.646 -3.761 1.00 0.00 H new ATOM 728 N ILE B 35 -5.145 2.137 -5.360 1.00 0.00 N ATOM 729 CA ILE B 35 -6.521 1.714 -5.602 1.00 0.00 C ATOM 730 C ILE B 35 -6.549 0.522 -6.559 1.00 0.00 C ATOM 731 O ILE B 35 -7.295 -0.437 -6.353 1.00 0.00 O ATOM 732 CB ILE B 35 -7.335 2.874 -6.183 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.486 3.967 -5.120 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.722 2.373 -6.594 1.00 0.00 C ATOM 735 CD1 ILE B 35 -8.054 5.235 -5.762 1.00 0.00 C ATOM 0 H ILE B 35 -4.921 3.071 -5.704 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.965 1.412 -4.653 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.822 3.277 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.146 3.624 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.519 4.180 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.300 3.200 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.618 1.591 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.237 1.971 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.160 6.011 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.378 5.582 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -9.029 5.017 -6.197 1.00 0.00 H new ATOM 747 N LEU B 36 -5.731 0.590 -7.609 1.00 0.00 N ATOM 748 CA LEU B 36 -5.670 -0.488 -8.594 1.00 0.00 C ATOM 749 C LEU B 36 -5.252 -1.794 -7.917 1.00 0.00 C ATOM 750 O LEU B 36 -5.750 -2.868 -8.247 1.00 0.00 O ATOM 751 CB LEU B 36 -4.671 -0.136 -9.706 1.00 0.00 C ATOM 752 CG LEU B 36 -4.959 -0.976 -10.973 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.009 -0.274 -11.846 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.674 -1.147 -11.789 1.00 0.00 C ATOM 0 H LEU B 36 -5.106 1.374 -7.798 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.659 -0.614 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.739 0.926 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.653 -0.322 -9.362 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.334 -1.952 -10.663 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.204 -0.874 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.932 -0.155 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.637 0.706 -12.145 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.885 -1.739 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.298 -0.168 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.924 -1.656 -11.184 1.00 0.00 H new ATOM 766 N HIS B 37 -4.334 -1.692 -6.971 1.00 0.00 N ATOM 767 CA HIS B 37 -3.870 -2.871 -6.256 1.00 0.00 C ATOM 768 C HIS B 37 -4.995 -3.469 -5.418 1.00 0.00 C ATOM 769 O HIS B 37 -5.150 -4.686 -5.355 1.00 0.00 O ATOM 770 CB HIS B 37 -2.711 -2.502 -5.335 1.00 0.00 C ATOM 771 CG HIS B 37 -2.222 -3.739 -4.635 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.940 -4.229 -4.807 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.839 -4.601 -3.763 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.830 -5.340 -4.051 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.957 -5.607 -3.395 1.00 0.00 N ATOM 0 H HIS B 37 -3.899 -0.816 -6.682 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.540 -3.605 -6.991 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.902 -2.052 -5.911 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.033 -1.760 -4.605 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.858 -4.510 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.065 -5.941 -3.986 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.134 -6.384 -2.759 1.00 0.00 H new ATOM 783 N LEU B 38 -5.751 -2.607 -4.744 1.00 0.00 N ATOM 784 CA LEU B 38 -6.829 -3.067 -3.869 1.00 0.00 C ATOM 785 C LEU B 38 -7.874 -3.882 -4.633 1.00 0.00 C ATOM 786 O LEU B 38 -8.275 -4.952 -4.182 1.00 0.00 O ATOM 787 CB LEU B 38 -7.492 -1.843 -3.195 1.00 0.00 C ATOM 788 CG LEU B 38 -7.018 -1.704 -1.737 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.301 -0.287 -1.243 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.755 -2.711 -0.842 1.00 0.00 C ATOM 0 H LEU B 38 -5.640 -1.594 -4.785 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.400 -3.723 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.247 -0.938 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.576 -1.949 -3.222 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.947 -1.904 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.966 -0.188 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.768 0.429 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.372 -0.090 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.411 -2.603 0.187 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.827 -2.522 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.550 -3.724 -1.189 1.00 0.00 H new ATOM 802 N ILE B 39 -8.316 -3.379 -5.777 1.00 0.00 N ATOM 803 CA ILE B 39 -9.317 -4.092 -6.561 1.00 0.00 C ATOM 804 C ILE B 39 -8.780 -5.462 -6.980 1.00 0.00 C ATOM 805 O ILE B 39 -9.498 -6.459 -6.939 1.00 0.00 O ATOM 806 CB ILE B 39 -9.713 -3.255 -7.787 1.00 0.00 C ATOM 807 CG1 ILE B 39 -8.454 -2.801 -8.517 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.497 -2.026 -7.326 1.00 0.00 C ATOM 809 CD1 ILE B 39 -8.827 -2.022 -9.778 1.00 0.00 C ATOM 0 H ILE B 39 -8.004 -2.495 -6.179 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.207 -4.250 -5.952 1.00 0.00 H new ATOM 0 HB ILE B 39 -10.329 -3.856 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -7.849 -2.176 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -7.846 -3.666 -8.782 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.780 -1.429 -8.193 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -11.395 -2.345 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -9.876 -1.427 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.919 -1.703 -10.291 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -9.412 -2.660 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -9.416 -1.146 -9.504 1.00 0.00 H new ATOM 821 N LEU B 40 -7.515 -5.504 -7.380 1.00 0.00 N ATOM 822 CA LEU B 40 -6.900 -6.762 -7.790 1.00 0.00 C ATOM 823 C LEU B 40 -6.675 -7.693 -6.591 1.00 0.00 C ATOM 824 O LEU B 40 -6.952 -8.890 -6.667 1.00 0.00 O ATOM 825 CB LEU B 40 -5.563 -6.467 -8.490 1.00 0.00 C ATOM 826 CG LEU B 40 -5.819 -5.990 -9.937 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.626 -5.168 -10.432 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.004 -7.196 -10.872 1.00 0.00 C ATOM 0 H LEU B 40 -6.900 -4.692 -7.429 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.575 -7.270 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.015 -5.704 -7.938 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.942 -7.363 -8.498 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.723 -5.380 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.812 -4.835 -11.453 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.489 -4.301 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.726 -5.783 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.184 -6.844 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.104 -7.811 -10.855 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.855 -7.789 -10.537 1.00 0.00 H new ATOM 840 N TRP B 41 -6.170 -7.137 -5.487 1.00 0.00 N ATOM 841 CA TRP B 41 -5.911 -7.931 -4.284 1.00 0.00 C ATOM 842 C TRP B 41 -7.215 -8.433 -3.661 1.00 0.00 C ATOM 843 O TRP B 41 -7.341 -9.613 -3.337 1.00 0.00 O ATOM 844 CB TRP B 41 -5.121 -7.091 -3.268 1.00 0.00 C ATOM 845 CG TRP B 41 -5.101 -7.766 -1.929 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.224 -8.722 -1.544 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.969 -7.527 -0.788 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.517 -9.099 -0.245 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.581 -8.385 0.265 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.051 -6.655 -0.568 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.246 -8.377 1.489 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.711 -6.643 0.669 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.308 -7.500 1.690 1.00 0.00 C ATOM 0 H TRP B 41 -5.934 -6.148 -5.401 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.321 -8.803 -4.567 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.101 -6.945 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.571 -6.103 -3.177 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.426 -9.125 -2.151 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.009 -9.817 0.272 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.375 -5.991 -1.356 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.939 -9.048 2.278 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.536 -5.965 0.831 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.821 -7.484 2.640 1.00 0.00 H new ATOM 864 N ILE B 42 -8.178 -7.533 -3.487 1.00 0.00 N ATOM 865 CA ILE B 42 -9.454 -7.912 -2.888 1.00 0.00 C ATOM 866 C ILE B 42 -10.191 -8.892 -3.799 1.00 0.00 C ATOM 867 O ILE B 42 -10.775 -9.868 -3.332 1.00 0.00 O ATOM 868 CB ILE B 42 -10.315 -6.660 -2.647 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.476 -7.001 -1.706 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.881 -6.145 -3.977 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.184 -5.711 -1.284 1.00 0.00 C ATOM 0 H ILE B 42 -8.102 -6.550 -3.748 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.265 -8.398 -1.931 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.691 -5.888 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.179 -7.668 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.104 -7.529 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.489 -5.259 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.060 -5.891 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.497 -6.919 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.010 -5.952 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.478 -5.060 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.569 -5.202 -2.167 1.00 0.00 H new ATOM 883 N LEU B 43 -10.154 -8.628 -5.099 1.00 0.00 N ATOM 884 CA LEU B 43 -10.815 -9.498 -6.063 1.00 0.00 C ATOM 885 C LEU B 43 -10.180 -10.886 -6.056 1.00 0.00 C ATOM 886 O LEU B 43 -10.874 -11.897 -6.123 1.00 0.00 O ATOM 887 CB LEU B 43 -10.727 -8.886 -7.469 1.00 0.00 C ATOM 888 CG LEU B 43 -11.350 -9.831 -8.506 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.797 -10.170 -8.119 1.00 0.00 C ATOM 890 CD2 LEU B 43 -11.338 -9.144 -9.876 1.00 0.00 C ATOM 0 H LEU B 43 -9.677 -7.824 -5.508 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.863 -9.595 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -11.243 -7.926 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.685 -8.693 -7.724 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.771 -10.754 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -13.225 -10.841 -8.864 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.808 -10.656 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -13.386 -9.254 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -11.779 -9.808 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -11.916 -8.221 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -10.311 -8.914 -10.159 1.00 0.00 H new ATOM 1143 N VAL C 28 8.479 10.687 -2.004 1.00 0.00 N ATOM 1144 CA VAL C 28 9.098 9.985 -3.121 1.00 0.00 C ATOM 1145 C VAL C 28 9.408 8.539 -2.740 1.00 0.00 C ATOM 1146 O VAL C 28 9.154 7.616 -3.515 1.00 0.00 O ATOM 1147 CB VAL C 28 10.389 10.695 -3.536 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.095 9.887 -4.628 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.056 12.089 -4.071 1.00 0.00 C ATOM 0 HA VAL C 28 8.400 9.986 -3.958 1.00 0.00 H new ATOM 0 HB VAL C 28 11.045 10.783 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.013 10.396 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.335 8.894 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.439 9.795 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.975 12.595 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.397 11.999 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.558 12.668 -3.293 1.00 0.00 H new ATOM 1159 N ALA C 29 9.962 8.351 -1.547 1.00 0.00 N ATOM 1160 CA ALA C 29 10.305 7.013 -1.081 1.00 0.00 C ATOM 1161 C ALA C 29 9.059 6.143 -0.984 1.00 0.00 C ATOM 1162 O ALA C 29 9.089 4.961 -1.318 1.00 0.00 O ATOM 1163 CB ALA C 29 10.975 7.088 0.292 1.00 0.00 C ATOM 0 H ALA C 29 10.181 9.100 -0.891 1.00 0.00 H new ATOM 0 HA ALA C 29 10.994 6.570 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.226 6.083 0.630 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.884 7.685 0.221 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.292 7.550 1.005 1.00 0.00 H new ATOM 1169 N ALA C 30 7.963 6.733 -0.523 1.00 0.00 N ATOM 1170 CA ALA C 30 6.716 5.991 -0.386 1.00 0.00 C ATOM 1171 C ALA C 30 6.227 5.501 -1.745 1.00 0.00 C ATOM 1172 O ALA C 30 5.746 4.375 -1.870 1.00 0.00 O ATOM 1173 CB ALA C 30 5.651 6.879 0.258 1.00 0.00 C ATOM 0 H ALA C 30 7.912 7.712 -0.241 1.00 0.00 H new ATOM 0 HA ALA C 30 6.898 5.124 0.250 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.721 6.318 0.358 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.990 7.197 1.244 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.481 7.755 -0.368 1.00 0.00 H new ATOM 1179 N ASN C 31 6.348 6.352 -2.758 1.00 0.00 N ATOM 1180 CA ASN C 31 5.909 5.988 -4.100 1.00 0.00 C ATOM 1181 C ASN C 31 6.741 4.822 -4.636 1.00 0.00 C ATOM 1182 O ASN C 31 6.202 3.876 -5.211 1.00 0.00 O ATOM 1183 CB ASN C 31 6.053 7.188 -5.038 1.00 0.00 C ATOM 1184 CG ASN C 31 5.065 8.284 -4.655 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.077 8.014 -3.844 1.00 0.00 O flip ATOM 1186 ND2 ASN C 31 5.198 9.423 -5.103 1.00 0.00 N flip ATOM 0 H ASN C 31 6.742 7.289 -2.677 1.00 0.00 H new ATOM 0 HA ASN C 31 4.863 5.685 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN C 31 7.071 7.575 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.878 6.876 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.969 9.635 -5.736 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.537 10.155 -4.841 1.00 0.00 H new ATOM 1193 N ILE C 32 8.054 4.900 -4.439 1.00 0.00 N ATOM 1194 CA ILE C 32 8.953 3.846 -4.900 1.00 0.00 C ATOM 1195 C ILE C 32 8.694 2.549 -4.139 1.00 0.00 C ATOM 1196 O ILE C 32 8.665 1.467 -4.724 1.00 0.00 O ATOM 1197 CB ILE C 32 10.411 4.282 -4.709 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.719 5.446 -5.655 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.347 3.110 -5.026 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.061 6.072 -5.275 1.00 0.00 C ATOM 0 H ILE C 32 8.517 5.676 -3.967 1.00 0.00 H new ATOM 0 HA ILE C 32 8.767 3.670 -5.959 1.00 0.00 H new ATOM 0 HB ILE C 32 10.562 4.596 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.750 5.092 -6.686 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.928 6.194 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.382 3.424 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.128 2.278 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.197 2.794 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.280 6.900 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.013 6.440 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.848 5.322 -5.355 1.00 0.00 H new ATOM 1212 N ILE C 33 8.512 2.671 -2.831 1.00 0.00 N ATOM 1213 CA ILE C 33 8.266 1.505 -1.990 1.00 0.00 C ATOM 1214 C ILE C 33 6.962 0.815 -2.400 1.00 0.00 C ATOM 1215 O ILE C 33 6.904 -0.411 -2.489 1.00 0.00 O ATOM 1216 CB ILE C 33 8.187 1.942 -0.516 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.576 2.422 -0.024 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.701 0.767 0.345 1.00 0.00 C ATOM 1219 CD1 ILE C 33 10.431 1.244 0.459 1.00 0.00 C ATOM 0 H ILE C 33 8.530 3.560 -2.331 1.00 0.00 H new ATOM 0 HA ILE C 33 9.086 0.798 -2.116 1.00 0.00 H new ATOM 0 HB ILE C 33 7.482 2.768 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.091 2.942 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.450 3.139 0.787 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.646 1.079 1.388 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.713 0.453 0.007 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.398 -0.065 0.251 1.00 0.00 H new ATOM 0 HD11 ILE C 33 11.399 1.612 0.798 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.925 0.741 1.283 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.577 0.540 -0.360 1.00 0.00 H new ATOM 1231 N GLY C 34 5.921 1.606 -2.645 1.00 0.00 N ATOM 1232 CA GLY C 34 4.630 1.046 -3.041 1.00 0.00 C ATOM 1233 C GLY C 34 4.752 0.265 -4.345 1.00 0.00 C ATOM 1234 O GLY C 34 4.254 -0.856 -4.457 1.00 0.00 O ATOM 0 H GLY C 34 5.943 2.624 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.256 0.391 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.902 1.849 -3.160 1.00 0.00 H new ATOM 1238 N ILE C 35 5.423 0.860 -5.328 1.00 0.00 N ATOM 1239 CA ILE C 35 5.614 0.208 -6.620 1.00 0.00 C ATOM 1240 C ILE C 35 6.471 -1.048 -6.461 1.00 0.00 C ATOM 1241 O ILE C 35 6.178 -2.090 -7.046 1.00 0.00 O ATOM 1242 CB ILE C 35 6.278 1.175 -7.605 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.305 2.315 -7.926 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.629 0.432 -8.899 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.042 3.420 -8.686 1.00 0.00 C ATOM 0 H ILE C 35 5.841 1.787 -5.255 1.00 0.00 H new ATOM 0 HA ILE C 35 4.639 -0.082 -7.011 1.00 0.00 H new ATOM 0 HB ILE C 35 7.188 1.578 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.474 1.940 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.880 2.714 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.101 1.122 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.316 -0.384 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.720 0.029 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.349 4.230 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.858 3.802 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.445 3.016 -9.615 1.00 0.00 H new ATOM 1257 N LEU C 36 7.532 -0.939 -5.664 1.00 0.00 N ATOM 1258 CA LEU C 36 8.429 -2.070 -5.435 1.00 0.00 C ATOM 1259 C LEU C 36 7.654 -3.234 -4.818 1.00 0.00 C ATOM 1260 O LEU C 36 7.891 -4.398 -5.139 1.00 0.00 O ATOM 1261 CB LEU C 36 9.579 -1.659 -4.502 1.00 0.00 C ATOM 1262 CG LEU C 36 10.769 -2.636 -4.657 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.683 -2.180 -5.801 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.584 -2.671 -3.359 1.00 0.00 C ATOM 0 H LEU C 36 7.791 -0.085 -5.169 1.00 0.00 H new ATOM 0 HA LEU C 36 8.846 -2.383 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.900 -0.644 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.234 -1.656 -3.468 1.00 0.00 H new ATOM 0 HG LEU C 36 10.376 -3.629 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.516 -2.875 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU C 36 11.117 -2.157 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.066 -1.183 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.421 -3.360 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.963 -1.673 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.948 -3.005 -2.539 1.00 0.00 H new ATOM 1276 N HIS C 37 6.729 -2.916 -3.928 1.00 0.00 N ATOM 1277 CA HIS C 37 5.927 -3.946 -3.285 1.00 0.00 C ATOM 1278 C HIS C 37 5.030 -4.640 -4.301 1.00 0.00 C ATOM 1279 O HIS C 37 4.868 -5.859 -4.265 1.00 0.00 O ATOM 1280 CB HIS C 37 5.053 -3.326 -2.196 1.00 0.00 C ATOM 1281 CG HIS C 37 4.263 -4.412 -1.520 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.413 -4.713 -0.179 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.316 -5.284 -1.996 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.573 -5.726 0.103 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.881 -6.111 -0.970 1.00 0.00 N ATOM 0 H HIS C 37 6.515 -1.963 -3.635 1.00 0.00 H new ATOM 0 HA HIS C 37 6.605 -4.677 -2.845 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.674 -2.804 -1.468 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.380 -2.586 -2.630 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.962 -5.321 -3.016 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.472 -6.173 1.081 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.183 -6.853 -1.025 1.00 0.00 H new ATOM 1293 N LEU C 38 4.419 -3.857 -5.183 1.00 0.00 N ATOM 1294 CA LEU C 38 3.497 -4.406 -6.177 1.00 0.00 C ATOM 1295 C LEU C 38 4.180 -5.433 -7.083 1.00 0.00 C ATOM 1296 O LEU C 38 3.638 -6.512 -7.309 1.00 0.00 O ATOM 1297 CB LEU C 38 2.920 -3.247 -7.023 1.00 0.00 C ATOM 1298 CG LEU C 38 1.483 -2.918 -6.580 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.105 -1.527 -7.082 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.502 -3.951 -7.153 1.00 0.00 C ATOM 0 H LEU C 38 4.543 -2.846 -5.232 1.00 0.00 H new ATOM 0 HA LEU C 38 2.694 -4.924 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.550 -2.364 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.928 -3.520 -8.078 1.00 0.00 H new ATOM 0 HG LEU C 38 1.431 -2.945 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.088 -1.291 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.792 -0.791 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.165 -1.504 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.511 -3.708 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.552 -3.935 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.768 -4.945 -6.792 1.00 0.00 H new ATOM 1312 N ILE C 39 5.354 -5.101 -7.598 1.00 0.00 N ATOM 1313 CA ILE C 39 6.065 -6.023 -8.474 1.00 0.00 C ATOM 1314 C ILE C 39 6.377 -7.321 -7.729 1.00 0.00 C ATOM 1315 O ILE C 39 6.248 -8.413 -8.283 1.00 0.00 O ATOM 1316 CB ILE C 39 7.348 -5.360 -8.995 1.00 0.00 C ATOM 1317 CG1 ILE C 39 8.129 -4.777 -7.821 1.00 0.00 C ATOM 1318 CG2 ILE C 39 6.980 -4.234 -9.962 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.444 -4.169 -8.313 1.00 0.00 C ATOM 0 H ILE C 39 5.830 -4.215 -7.429 1.00 0.00 H new ATOM 0 HA ILE C 39 5.435 -6.269 -9.329 1.00 0.00 H new ATOM 0 HB ILE C 39 7.958 -6.102 -9.510 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.532 -4.015 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE C 39 8.332 -5.556 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE C 39 7.889 -3.762 -10.333 1.00 0.00 H new ATOM 0 HG22 ILE C 39 6.416 -4.644 -10.800 1.00 0.00 H new ATOM 0 HG23 ILE C 39 6.372 -3.493 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE C 39 9.993 -3.756 -7.467 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.045 -4.941 -8.793 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.232 -3.376 -9.030 1.00 0.00 H new ATOM 1331 N LEU C 40 6.788 -7.197 -6.472 1.00 0.00 N ATOM 1332 CA LEU C 40 7.103 -8.372 -5.667 1.00 0.00 C ATOM 1333 C LEU C 40 5.837 -9.157 -5.299 1.00 0.00 C ATOM 1334 O LEU C 40 5.813 -10.384 -5.382 1.00 0.00 O ATOM 1335 CB LEU C 40 7.842 -7.931 -4.392 1.00 0.00 C ATOM 1336 CG LEU C 40 9.318 -7.620 -4.721 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.894 -6.667 -3.671 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.150 -8.913 -4.716 1.00 0.00 C ATOM 0 H LEU C 40 6.910 -6.305 -5.992 1.00 0.00 H new ATOM 0 HA LEU C 40 7.741 -9.032 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.361 -7.049 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.786 -8.717 -3.639 1.00 0.00 H new ATOM 0 HG LEU C 40 9.360 -7.161 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.936 -6.451 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.322 -5.739 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.835 -7.131 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.188 -8.678 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.095 -9.377 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.757 -9.602 -5.464 1.00 0.00 H new ATOM 1350 N TRP C 41 4.785 -8.442 -4.889 1.00 0.00 N ATOM 1351 CA TRP C 41 3.527 -9.083 -4.508 1.00 0.00 C ATOM 1352 C TRP C 41 2.848 -9.728 -5.718 1.00 0.00 C ATOM 1353 O TRP C 41 2.425 -10.883 -5.658 1.00 0.00 O ATOM 1354 CB TRP C 41 2.592 -8.048 -3.859 1.00 0.00 C ATOM 1355 CG TRP C 41 1.205 -8.602 -3.732 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.755 -9.372 -2.715 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.075 -8.408 -4.628 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.576 -9.681 -2.944 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.039 -9.103 -4.108 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.088 -7.702 -5.833 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.269 -9.099 -4.762 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.328 -7.691 -6.485 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.413 -8.388 -5.952 1.00 0.00 C ATOM 0 H TRP C 41 4.781 -7.425 -4.813 1.00 0.00 H new ATOM 0 HA TRP C 41 3.746 -9.872 -3.788 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.972 -7.772 -2.875 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.573 -7.139 -4.460 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.338 -9.693 -1.864 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.143 -10.264 -2.328 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.747 -7.165 -6.258 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.106 -9.643 -4.350 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.445 -7.139 -7.406 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.365 -8.376 -6.462 1.00 0.00 H new ATOM 1374 N ILE C 42 2.735 -8.978 -6.810 1.00 0.00 N ATOM 1375 CA ILE C 42 2.093 -9.501 -8.012 1.00 0.00 C ATOM 1376 C ILE C 42 2.911 -10.658 -8.584 1.00 0.00 C ATOM 1377 O ILE C 42 2.361 -11.672 -9.009 1.00 0.00 O ATOM 1378 CB ILE C 42 1.943 -8.385 -9.057 1.00 0.00 C ATOM 1379 CG1 ILE C 42 0.963 -8.825 -10.151 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.304 -8.074 -9.697 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.639 -7.631 -11.051 1.00 0.00 C ATOM 0 H ILE C 42 3.074 -8.019 -6.888 1.00 0.00 H new ATOM 0 HA ILE C 42 1.102 -9.871 -7.751 1.00 0.00 H new ATOM 0 HB ILE C 42 1.563 -7.492 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.397 -9.632 -10.741 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.050 -9.215 -9.702 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.186 -7.282 -10.436 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.003 -7.750 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.690 -8.970 -10.184 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.058 -7.941 -11.830 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.187 -6.838 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE C 42 1.556 -7.262 -11.510 1.00 0.00 H new ATOM 1393 N LEU C 43 4.229 -10.498 -8.588 1.00 0.00 N ATOM 1394 CA LEU C 43 5.112 -11.538 -9.105 1.00 0.00 C ATOM 1395 C LEU C 43 5.000 -12.804 -8.259 1.00 0.00 C ATOM 1396 O LEU C 43 4.974 -13.913 -8.787 1.00 0.00 O ATOM 1397 CB LEU C 43 6.562 -11.036 -9.113 1.00 0.00 C ATOM 1398 CG LEU C 43 7.514 -12.149 -9.581 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.081 -12.676 -10.958 1.00 0.00 C ATOM 1400 CD2 LEU C 43 8.932 -11.583 -9.675 1.00 0.00 C ATOM 0 H LEU C 43 4.707 -9.666 -8.242 1.00 0.00 H new ATOM 0 HA LEU C 43 4.811 -11.776 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.651 -10.172 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.844 -10.704 -8.114 1.00 0.00 H new ATOM 0 HG LEU C 43 7.485 -12.971 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU C 43 7.764 -13.463 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU C 43 6.070 -13.077 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU C 43 7.102 -11.862 -11.682 1.00 0.00 H new ATOM 0 HD21 LEU C 43 9.615 -12.365 -10.006 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.949 -10.760 -10.390 1.00 0.00 H new ATOM 0 HD23 LEU C 43 9.244 -11.220 -8.696 1.00 0.00 H new ATOM 1653 N VAL D 28 2.965 11.659 6.793 1.00 0.00 N ATOM 1654 CA VAL D 28 4.035 10.973 7.509 1.00 0.00 C ATOM 1655 C VAL D 28 3.546 9.631 8.045 1.00 0.00 C ATOM 1656 O VAL D 28 4.240 8.620 7.935 1.00 0.00 O ATOM 1657 CB VAL D 28 4.527 11.840 8.671 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.563 11.066 9.489 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.166 13.116 8.118 1.00 0.00 C ATOM 0 HA VAL D 28 4.856 10.797 6.814 1.00 0.00 H new ATOM 0 HB VAL D 28 3.683 12.100 9.310 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.911 11.686 10.315 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.110 10.157 9.884 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.407 10.803 8.852 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.517 13.735 8.944 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.008 12.853 7.478 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.428 13.670 7.538 1.00 0.00 H new ATOM 1669 N ALA D 29 2.352 9.630 8.628 1.00 0.00 N ATOM 1670 CA ALA D 29 1.787 8.403 9.180 1.00 0.00 C ATOM 1671 C ALA D 29 1.599 7.360 8.085 1.00 0.00 C ATOM 1672 O ALA D 29 1.839 6.173 8.300 1.00 0.00 O ATOM 1673 CB ALA D 29 0.436 8.696 9.837 1.00 0.00 C ATOM 0 H ALA D 29 1.762 10.455 8.730 1.00 0.00 H new ATOM 0 HA ALA D 29 2.479 8.014 9.927 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.023 7.774 10.246 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.571 9.420 10.640 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.250 9.103 9.094 1.00 0.00 H new ATOM 1679 N ALA D 30 1.168 7.805 6.914 1.00 0.00 N ATOM 1680 CA ALA D 30 0.949 6.891 5.800 1.00 0.00 C ATOM 1681 C ALA D 30 2.255 6.222 5.385 1.00 0.00 C ATOM 1682 O ALA D 30 2.283 5.028 5.086 1.00 0.00 O ATOM 1683 CB ALA D 30 0.360 7.652 4.612 1.00 0.00 C ATOM 0 H ALA D 30 0.964 8.783 6.710 1.00 0.00 H new ATOM 0 HA ALA D 30 0.250 6.119 6.121 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.199 6.963 3.783 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.590 8.100 4.902 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.051 8.436 4.303 1.00 0.00 H new ATOM 1689 N ASN D 31 3.336 6.996 5.367 1.00 0.00 N ATOM 1690 CA ASN D 31 4.636 6.458 4.984 1.00 0.00 C ATOM 1691 C ASN D 31 5.093 5.400 5.986 1.00 0.00 C ATOM 1692 O ASN D 31 5.584 4.338 5.599 1.00 0.00 O ATOM 1693 CB ASN D 31 5.667 7.588 4.928 1.00 0.00 C ATOM 1694 CG ASN D 31 5.351 8.542 3.779 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.502 8.187 2.854 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 5.888 9.650 3.728 1.00 0.00 N flip ATOM 0 H ASN D 31 3.338 7.987 5.610 1.00 0.00 H new ATOM 0 HA ASN D 31 4.545 5.996 4.001 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.669 8.134 5.872 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.666 7.171 4.798 1.00 0.00 H new ATOM 0 HD21 ASN D 31 6.552 9.929 4.450 1.00 0.00 H new ATOM 0 HD22 ASN D 31 5.669 10.288 2.963 1.00 0.00 H new ATOM 1703 N ILE D 32 4.925 5.697 7.270 1.00 0.00 N ATOM 1704 CA ILE D 32 5.318 4.765 8.323 1.00 0.00 C ATOM 1705 C ILE D 32 4.453 3.510 8.274 1.00 0.00 C ATOM 1706 O ILE D 32 4.949 2.391 8.415 1.00 0.00 O ATOM 1707 CB ILE D 32 5.186 5.436 9.695 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.226 6.555 9.812 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.425 4.404 10.803 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.919 7.411 11.040 1.00 0.00 C ATOM 0 H ILE D 32 4.521 6.571 7.607 1.00 0.00 H new ATOM 0 HA ILE D 32 6.358 4.480 8.163 1.00 0.00 H new ATOM 0 HB ILE D 32 4.183 5.850 9.799 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.226 6.129 9.893 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.214 7.172 8.914 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.330 4.886 11.776 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.689 3.605 10.721 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.427 3.986 10.701 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.659 8.207 11.123 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.926 7.848 10.940 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.953 6.789 11.935 1.00 0.00 H new ATOM 1722 N ILE D 33 3.154 3.707 8.082 1.00 0.00 N ATOM 1723 CA ILE D 33 2.219 2.590 8.026 1.00 0.00 C ATOM 1724 C ILE D 33 2.550 1.674 6.847 1.00 0.00 C ATOM 1725 O ILE D 33 2.539 0.451 6.980 1.00 0.00 O ATOM 1726 CB ILE D 33 0.784 3.127 7.887 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.356 3.858 9.185 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.176 1.964 7.599 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.204 2.872 10.219 1.00 0.00 C ATOM 0 H ILE D 33 2.726 4.625 7.963 1.00 0.00 H new ATOM 0 HA ILE D 33 2.303 2.012 8.947 1.00 0.00 H new ATOM 0 HB ILE D 33 0.749 3.836 7.060 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.211 4.385 9.607 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.398 4.610 8.950 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.192 2.347 7.501 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.117 1.471 6.672 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.136 1.247 8.419 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.496 3.414 11.118 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -1.074 2.364 9.803 1.00 0.00 H new ATOM 0 HD13 ILE D 33 0.560 2.136 10.471 1.00 0.00 H new ATOM 1741 N GLY D 34 2.840 2.269 5.691 1.00 0.00 N ATOM 1742 CA GLY D 34 3.167 1.482 4.503 1.00 0.00 C ATOM 1743 C GLY D 34 4.409 0.626 4.740 1.00 0.00 C ATOM 1744 O GLY D 34 4.423 -0.563 4.424 1.00 0.00 O ATOM 0 H GLY D 34 2.855 3.279 5.552 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.324 0.842 4.243 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.335 2.147 3.656 1.00 0.00 H new ATOM 1748 N ILE D 35 5.447 1.236 5.307 1.00 0.00 N ATOM 1749 CA ILE D 35 6.684 0.520 5.591 1.00 0.00 C ATOM 1750 C ILE D 35 6.441 -0.570 6.636 1.00 0.00 C ATOM 1751 O ILE D 35 6.936 -1.689 6.507 1.00 0.00 O ATOM 1752 CB ILE D 35 7.755 1.497 6.089 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.149 2.441 4.950 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.989 0.716 6.548 1.00 0.00 C ATOM 1755 CD1 ILE D 35 9.008 3.583 5.501 1.00 0.00 C ATOM 0 H ILE D 35 5.455 2.220 5.577 1.00 0.00 H new ATOM 0 HA ILE D 35 7.033 0.050 4.672 1.00 0.00 H new ATOM 0 HB ILE D 35 7.359 2.074 6.925 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.701 1.894 4.186 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.256 2.843 4.472 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.749 1.412 6.902 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.712 0.040 7.357 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.386 0.139 5.713 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.287 4.253 4.688 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.441 4.137 6.249 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.908 3.173 5.958 1.00 0.00 H new ATOM 1767 N LEU D 36 5.673 -0.230 7.669 1.00 0.00 N ATOM 1768 CA LEU D 36 5.371 -1.186 8.733 1.00 0.00 C ATOM 1769 C LEU D 36 4.650 -2.403 8.157 1.00 0.00 C ATOM 1770 O LEU D 36 4.882 -3.536 8.571 1.00 0.00 O ATOM 1771 CB LEU D 36 4.493 -0.524 9.810 1.00 0.00 C ATOM 1772 CG LEU D 36 4.589 -1.312 11.137 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.782 -0.813 11.963 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.307 -1.114 11.954 1.00 0.00 C ATOM 0 H LEU D 36 5.252 0.691 7.792 1.00 0.00 H new ATOM 0 HA LEU D 36 6.308 -1.508 9.187 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.812 0.506 9.967 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.457 -0.489 9.474 1.00 0.00 H new ATOM 0 HG LEU D 36 4.721 -2.368 10.903 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.840 -1.375 12.895 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.702 -0.955 11.396 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.653 0.246 12.185 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.381 -1.672 12.888 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.175 -0.054 12.174 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.452 -1.475 11.382 1.00 0.00 H new ATOM 1786 N HIS D 37 3.771 -2.161 7.198 1.00 0.00 N ATOM 1787 CA HIS D 37 3.036 -3.247 6.569 1.00 0.00 C ATOM 1788 C HIS D 37 3.978 -4.155 5.787 1.00 0.00 C ATOM 1789 O HIS D 37 3.842 -5.376 5.820 1.00 0.00 O ATOM 1790 CB HIS D 37 1.985 -2.686 5.614 1.00 0.00 C ATOM 1791 CG HIS D 37 1.211 -3.821 5.007 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.149 -3.979 5.203 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.597 -4.868 4.207 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.527 -5.084 4.533 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.498 -5.662 3.910 1.00 0.00 N ATOM 0 H HIS D 37 3.550 -1.232 6.840 1.00 0.00 H new ATOM 0 HA HIS D 37 2.551 -3.825 7.356 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.312 -2.016 6.149 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.465 -2.098 4.832 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.604 -5.047 3.861 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.540 -5.457 4.504 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.480 -6.506 3.338 1.00 0.00 H new ATOM 1803 N LEU D 38 4.909 -3.550 5.058 1.00 0.00 N ATOM 1804 CA LEU D 38 5.840 -4.315 4.228 1.00 0.00 C ATOM 1805 C LEU D 38 6.672 -5.293 5.060 1.00 0.00 C ATOM 1806 O LEU D 38 6.803 -6.458 4.693 1.00 0.00 O ATOM 1807 CB LEU D 38 6.767 -3.335 3.473 1.00 0.00 C ATOM 1808 CG LEU D 38 6.327 -3.196 2.005 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.934 -1.928 1.413 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.800 -4.413 1.194 1.00 0.00 C ATOM 0 H LEU D 38 5.041 -2.539 5.023 1.00 0.00 H new ATOM 0 HA LEU D 38 5.261 -4.905 3.518 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.746 -2.359 3.958 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.796 -3.692 3.518 1.00 0.00 H new ATOM 0 HG LEU D 38 5.239 -3.140 1.963 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.624 -1.827 0.373 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.591 -1.062 1.979 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.021 -1.987 1.463 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.483 -4.304 0.157 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.887 -4.478 1.237 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.365 -5.321 1.613 1.00 0.00 H new ATOM 1822 N ILE D 39 7.232 -4.824 6.165 1.00 0.00 N ATOM 1823 CA ILE D 39 8.043 -5.692 7.008 1.00 0.00 C ATOM 1824 C ILE D 39 7.204 -6.860 7.525 1.00 0.00 C ATOM 1825 O ILE D 39 7.665 -8.000 7.567 1.00 0.00 O ATOM 1826 CB ILE D 39 8.638 -4.884 8.169 1.00 0.00 C ATOM 1827 CG1 ILE D 39 7.528 -4.092 8.855 1.00 0.00 C ATOM 1828 CG2 ILE D 39 9.685 -3.910 7.625 1.00 0.00 C ATOM 1829 CD1 ILE D 39 8.088 -3.327 10.054 1.00 0.00 C ATOM 0 H ILE D 39 7.143 -3.863 6.496 1.00 0.00 H new ATOM 0 HA ILE D 39 8.863 -6.101 6.418 1.00 0.00 H new ATOM 0 HB ILE D 39 9.103 -5.563 8.884 1.00 0.00 H new ATOM 0 HG12 ILE D 39 7.078 -3.395 8.148 1.00 0.00 H new ATOM 0 HG13 ILE D 39 6.738 -4.768 9.182 1.00 0.00 H new ATOM 0 HG21 ILE D 39 10.109 -3.335 8.448 1.00 0.00 H new ATOM 0 HG22 ILE D 39 10.477 -4.469 7.126 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.216 -3.232 6.912 1.00 0.00 H new ATOM 0 HD11 ILE D 39 7.286 -2.766 10.534 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.516 -4.031 10.767 1.00 0.00 H new ATOM 0 HD13 ILE D 39 8.861 -2.637 9.716 1.00 0.00 H new ATOM 1841 N LEU D 40 5.966 -6.574 7.915 1.00 0.00 N ATOM 1842 CA LEU D 40 5.076 -7.614 8.415 1.00 0.00 C ATOM 1843 C LEU D 40 4.626 -8.555 7.288 1.00 0.00 C ATOM 1844 O LEU D 40 4.612 -9.774 7.458 1.00 0.00 O ATOM 1845 CB LEU D 40 3.856 -6.961 9.080 1.00 0.00 C ATOM 1846 CG LEU D 40 4.231 -6.450 10.489 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.270 -5.336 10.912 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.138 -7.592 11.513 1.00 0.00 C ATOM 0 H LEU D 40 5.559 -5.639 7.895 1.00 0.00 H new ATOM 0 HA LEU D 40 5.618 -8.212 9.147 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.498 -6.133 8.468 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.041 -7.682 9.151 1.00 0.00 H new ATOM 0 HG LEU D 40 5.252 -6.070 10.455 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.540 -4.980 11.906 1.00 0.00 H new ATOM 0 HD12 LEU D 40 3.334 -4.511 10.202 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.251 -5.722 10.929 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.405 -7.217 12.501 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.119 -7.979 11.535 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.824 -8.391 11.230 1.00 0.00 H new ATOM 1860 N TRP D 41 4.256 -7.981 6.141 1.00 0.00 N ATOM 1861 CA TRP D 41 3.805 -8.779 5.000 1.00 0.00 C ATOM 1862 C TRP D 41 4.948 -9.619 4.425 1.00 0.00 C ATOM 1863 O TRP D 41 4.788 -10.817 4.192 1.00 0.00 O ATOM 1864 CB TRP D 41 3.222 -7.854 3.917 1.00 0.00 C ATOM 1865 CG TRP D 41 3.028 -8.603 2.633 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.945 -9.350 2.315 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.917 -8.661 1.483 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.126 -9.879 1.048 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.325 -9.477 0.494 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.171 -8.089 1.207 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.957 -9.717 -0.723 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.801 -8.325 -0.024 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.196 -9.135 -0.983 1.00 0.00 C ATOM 0 H TRP D 41 4.260 -6.974 5.979 1.00 0.00 H new ATOM 0 HA TRP D 41 3.030 -9.464 5.344 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.269 -7.446 4.254 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.891 -7.009 3.754 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.082 -9.507 2.945 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.456 -10.490 0.582 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.652 -7.465 1.946 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.489 -10.351 -1.462 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.761 -7.876 -0.230 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.688 -9.312 -1.928 1.00 0.00 H new ATOM 1884 N ILE D 42 6.093 -8.987 4.189 1.00 0.00 N ATOM 1885 CA ILE D 42 7.237 -9.700 3.633 1.00 0.00 C ATOM 1886 C ILE D 42 7.730 -10.755 4.620 1.00 0.00 C ATOM 1887 O ILE D 42 8.063 -11.875 4.235 1.00 0.00 O ATOM 1888 CB ILE D 42 8.367 -8.709 3.306 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.405 -9.385 2.402 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.052 -8.243 4.597 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.391 -8.333 1.890 1.00 0.00 C ATOM 0 H ILE D 42 6.253 -7.996 4.371 1.00 0.00 H new ATOM 0 HA ILE D 42 6.929 -10.198 2.714 1.00 0.00 H new ATOM 0 HB ILE D 42 7.938 -7.848 2.794 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.936 -10.160 2.955 1.00 0.00 H new ATOM 0 HG13 ILE D 42 8.910 -9.875 1.563 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.850 -7.542 4.353 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.321 -7.752 5.240 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.472 -9.104 5.117 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.131 -8.810 1.247 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.852 -7.575 1.322 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.894 -7.864 2.736 1.00 0.00 H new ATOM 1903 N LEU D 43 7.770 -10.394 5.898 1.00 0.00 N ATOM 1904 CA LEU D 43 8.216 -11.321 6.929 1.00 0.00 C ATOM 1905 C LEU D 43 7.272 -12.515 7.023 1.00 0.00 C ATOM 1906 O LEU D 43 7.710 -13.655 7.169 1.00 0.00 O ATOM 1907 CB LEU D 43 8.292 -10.601 8.284 1.00 0.00 C ATOM 1908 CG LEU D 43 8.685 -11.585 9.395 1.00 0.00 C ATOM 1909 CD1 LEU D 43 10.008 -12.283 9.046 1.00 0.00 C ATOM 1910 CD2 LEU D 43 8.849 -10.814 10.708 1.00 0.00 C ATOM 0 H LEU D 43 7.501 -9.472 6.242 1.00 0.00 H new ATOM 0 HA LEU D 43 9.208 -11.686 6.662 1.00 0.00 H new ATOM 0 HB2 LEU D 43 9.021 -9.792 8.232 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.328 -10.148 8.516 1.00 0.00 H new ATOM 0 HG LEU D 43 7.905 -12.340 9.497 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.274 -12.978 9.843 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.895 -12.830 8.110 1.00 0.00 H new ATOM 0 HD13 LEU D 43 10.795 -11.537 8.937 1.00 0.00 H new ATOM 0 HD21 LEU D 43 9.128 -11.505 11.503 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.628 -10.060 10.592 1.00 0.00 H new ATOM 0 HD23 LEU D 43 7.908 -10.327 10.964 1.00 0.00 H new