USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 680 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) USER MOD Single : A 37 HIS : no HD1:sc= -9.15! C(o=-9.2!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 HIS : no HD1:sc= -9! C(o=-9!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 37 HIS : no HD1:sc= -9.2! C(o=-9.2!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 37 HIS : no HD1:sc= -9.32! C(o=-9.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -1.082 13.107 -5.027 1.00 0.00 N ATOM 108 CA VAL A 27 -1.819 12.719 -3.830 1.00 0.00 C ATOM 109 C VAL A 27 -3.118 12.012 -4.206 1.00 0.00 C ATOM 110 O VAL A 27 -3.451 10.965 -3.648 1.00 0.00 O ATOM 111 CB VAL A 27 -2.132 13.960 -2.989 1.00 0.00 C ATOM 112 CG1 VAL A 27 -3.010 13.568 -1.798 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.826 14.571 -2.478 1.00 0.00 C ATOM 0 HA VAL A 27 -1.203 12.032 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.661 14.688 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.231 14.453 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.941 13.133 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.484 12.838 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.047 15.454 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.298 13.840 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.201 14.854 -3.325 1.00 0.00 H new ATOM 123 N VAL A 28 -3.848 12.588 -5.155 1.00 0.00 N ATOM 124 CA VAL A 28 -5.108 12.002 -5.597 1.00 0.00 C ATOM 125 C VAL A 28 -4.867 10.645 -6.253 1.00 0.00 C ATOM 126 O VAL A 28 -5.582 9.678 -5.986 1.00 0.00 O ATOM 127 CB VAL A 28 -5.794 12.942 -6.593 1.00 0.00 C ATOM 128 CG1 VAL A 28 -7.036 12.263 -7.175 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.211 14.229 -5.876 1.00 0.00 C ATOM 0 H VAL A 28 -3.592 13.454 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.750 11.860 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.100 13.179 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.520 12.936 -7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.743 11.347 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.730 12.023 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.699 14.898 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.903 13.988 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.328 14.718 -5.464 1.00 0.00 H new ATOM 139 N ALA A 29 -3.856 10.582 -7.115 1.00 0.00 N ATOM 140 CA ALA A 29 -3.535 9.342 -7.807 1.00 0.00 C ATOM 141 C ALA A 29 -3.164 8.249 -6.814 1.00 0.00 C ATOM 142 O ALA A 29 -3.628 7.116 -6.925 1.00 0.00 O ATOM 143 CB ALA A 29 -2.369 9.569 -8.770 1.00 0.00 C ATOM 0 H ALA A 29 -3.251 11.369 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.416 9.025 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.135 8.637 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.644 10.328 -9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.495 9.905 -8.211 1.00 0.00 H new ATOM 149 N ALA A 30 -2.331 8.597 -5.839 1.00 0.00 N ATOM 150 CA ALA A 30 -1.902 7.633 -4.833 1.00 0.00 C ATOM 151 C ALA A 30 -3.105 7.060 -4.091 1.00 0.00 C ATOM 152 O ALA A 30 -3.127 5.880 -3.744 1.00 0.00 O ATOM 153 CB ALA A 30 -0.959 8.307 -3.835 1.00 0.00 C ATOM 0 H ALA A 30 -1.942 9.533 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.379 6.819 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.642 7.581 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.085 8.690 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.477 9.131 -3.345 1.00 0.00 H new ATOM 159 N ASN A 31 -4.103 7.902 -3.856 1.00 0.00 N ATOM 160 CA ASN A 31 -5.307 7.466 -3.160 1.00 0.00 C ATOM 161 C ASN A 31 -6.041 6.401 -3.972 1.00 0.00 C ATOM 162 O ASN A 31 -6.576 5.443 -3.417 1.00 0.00 O ATOM 163 CB ASN A 31 -6.234 8.659 -2.920 1.00 0.00 C ATOM 164 CG ASN A 31 -7.517 8.194 -2.240 1.00 0.00 C ATOM 165 OD1 ASN A 31 -8.567 8.119 -2.877 1.00 0.00 O ATOM 166 ND2 ASN A 31 -7.494 7.872 -0.975 1.00 0.00 N ATOM 0 H ASN A 31 -4.104 8.883 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.014 7.037 -2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.732 9.401 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.470 9.143 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.347 7.558 -0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.623 7.935 -0.449 1.00 0.00 H new ATOM 173 N ILE A 32 -6.060 6.578 -5.289 1.00 0.00 N ATOM 174 CA ILE A 32 -6.733 5.626 -6.167 1.00 0.00 C ATOM 175 C ILE A 32 -6.080 4.250 -6.054 1.00 0.00 C ATOM 176 O ILE A 32 -6.769 3.233 -6.016 1.00 0.00 O ATOM 177 CB ILE A 32 -6.681 6.107 -7.622 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.537 7.372 -7.766 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.234 5.016 -8.546 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.315 7.998 -9.146 1.00 0.00 C ATOM 0 H ILE A 32 -5.622 7.364 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.776 5.553 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.649 6.325 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.591 7.126 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.277 8.088 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.196 5.361 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.633 4.112 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.267 4.798 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.926 8.896 -9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.263 8.261 -9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.597 7.284 -9.919 1.00 0.00 H new ATOM 192 N ILE A 33 -4.754 4.226 -6.003 1.00 0.00 N ATOM 193 CA ILE A 33 -4.030 2.963 -5.900 1.00 0.00 C ATOM 194 C ILE A 33 -4.406 2.232 -4.609 1.00 0.00 C ATOM 195 O ILE A 33 -4.606 1.019 -4.619 1.00 0.00 O ATOM 196 CB ILE A 33 -2.504 3.229 -5.947 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.040 3.430 -7.408 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.728 2.060 -5.315 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.384 4.845 -7.878 1.00 0.00 C ATOM 0 H ILE A 33 -4.162 5.056 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.306 2.328 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.300 4.135 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.965 3.265 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.521 2.696 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.659 2.267 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.033 1.941 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.942 1.142 -5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.053 4.977 -8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.462 4.995 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.882 5.572 -7.240 1.00 0.00 H new ATOM 211 N GLY A 34 -4.485 2.957 -3.503 1.00 0.00 N ATOM 212 CA GLY A 34 -4.824 2.322 -2.235 1.00 0.00 C ATOM 213 C GLY A 34 -6.152 1.575 -2.327 1.00 0.00 C ATOM 214 O GLY A 34 -6.219 0.379 -2.044 1.00 0.00 O ATOM 0 H GLY A 34 -4.323 3.963 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.033 1.628 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.883 3.078 -1.452 1.00 0.00 H new ATOM 218 N ILE A 35 -7.206 2.285 -2.720 1.00 0.00 N ATOM 219 CA ILE A 35 -8.528 1.673 -2.843 1.00 0.00 C ATOM 220 C ILE A 35 -8.573 0.693 -4.023 1.00 0.00 C ATOM 221 O ILE A 35 -9.133 -0.399 -3.910 1.00 0.00 O ATOM 222 CB ILE A 35 -9.603 2.769 -3.008 1.00 0.00 C ATOM 223 CG1 ILE A 35 -9.905 3.408 -1.642 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.899 2.166 -3.571 1.00 0.00 C ATOM 225 CD1 ILE A 35 -8.662 4.125 -1.113 1.00 0.00 C ATOM 0 H ILE A 35 -7.173 3.276 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.733 1.110 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.226 3.523 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.730 4.114 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.221 2.641 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.647 2.951 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.699 1.716 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.272 1.403 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.885 4.574 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.848 3.408 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.365 4.904 -1.815 1.00 0.00 H new ATOM 237 N LEU A 36 -8.005 1.098 -5.155 1.00 0.00 N ATOM 238 CA LEU A 36 -8.015 0.258 -6.350 1.00 0.00 C ATOM 239 C LEU A 36 -7.286 -1.055 -6.094 1.00 0.00 C ATOM 240 O LEU A 36 -7.778 -2.128 -6.448 1.00 0.00 O ATOM 241 CB LEU A 36 -7.335 1.005 -7.506 1.00 0.00 C ATOM 242 CG LEU A 36 -7.354 0.158 -8.791 1.00 0.00 C ATOM 243 CD1 LEU A 36 -8.804 -0.133 -9.217 1.00 0.00 C ATOM 244 CD2 LEU A 36 -6.635 0.931 -9.903 1.00 0.00 C ATOM 0 H LEU A 36 -7.535 1.996 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.050 0.035 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.844 1.952 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.306 1.242 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.849 -0.790 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.802 -0.733 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.314 -0.679 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.324 0.807 -9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.642 0.341 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.146 1.878 -10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.605 1.125 -9.604 1.00 0.00 H new ATOM 256 N HIS A 37 -6.120 -0.967 -5.469 1.00 0.00 N ATOM 257 CA HIS A 37 -5.341 -2.159 -5.167 1.00 0.00 C ATOM 258 C HIS A 37 -6.137 -3.087 -4.261 1.00 0.00 C ATOM 259 O HIS A 37 -6.114 -4.306 -4.433 1.00 0.00 O ATOM 260 CB HIS A 37 -4.024 -1.783 -4.488 1.00 0.00 C ATOM 261 CG HIS A 37 -3.243 -3.039 -4.217 1.00 0.00 C ATOM 262 ND1 HIS A 37 -2.018 -3.298 -4.810 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.516 -4.131 -3.437 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.610 -4.507 -4.378 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.487 -5.056 -3.540 1.00 0.00 N ATOM 0 H HIS A 37 -5.696 -0.091 -5.164 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.120 -2.671 -6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.449 -1.111 -5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.218 -1.251 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.402 -4.254 -2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.683 -4.975 -4.676 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.417 -5.961 -3.074 1.00 0.00 H new ATOM 273 N LEU A 38 -6.833 -2.505 -3.294 1.00 0.00 N ATOM 274 CA LEU A 38 -7.621 -3.295 -2.357 1.00 0.00 C ATOM 275 C LEU A 38 -8.696 -4.091 -3.079 1.00 0.00 C ATOM 276 O LEU A 38 -8.959 -5.232 -2.719 1.00 0.00 O ATOM 277 CB LEU A 38 -8.270 -2.385 -1.291 1.00 0.00 C ATOM 278 CG LEU A 38 -7.329 -2.180 -0.089 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.826 -0.998 0.747 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.295 -3.448 0.789 1.00 0.00 C ATOM 0 H LEU A 38 -6.869 -1.498 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.946 -3.995 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.515 -1.419 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.207 -2.828 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.323 -1.979 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.162 -0.850 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.836 -0.097 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.835 -1.204 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.626 -3.287 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.298 -3.663 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.937 -4.291 0.198 1.00 0.00 H new ATOM 292 N ILE A 39 -9.325 -3.494 -4.078 1.00 0.00 N ATOM 293 CA ILE A 39 -10.380 -4.190 -4.800 1.00 0.00 C ATOM 294 C ILE A 39 -9.811 -5.432 -5.487 1.00 0.00 C ATOM 295 O ILE A 39 -10.405 -6.506 -5.438 1.00 0.00 O ATOM 296 CB ILE A 39 -11.000 -3.254 -5.841 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.714 -2.104 -5.122 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.024 -4.024 -6.679 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.093 -1.016 -6.131 1.00 0.00 C ATOM 0 H ILE A 39 -9.130 -2.547 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.151 -4.499 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.215 -2.862 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.608 -2.476 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.066 -1.688 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.464 -3.356 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.530 -4.853 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.808 -4.412 -6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.600 -0.201 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.192 -0.636 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.757 -1.436 -6.886 1.00 0.00 H new ATOM 311 N LEU A 40 -8.657 -5.282 -6.124 1.00 0.00 N ATOM 312 CA LEU A 40 -8.032 -6.414 -6.799 1.00 0.00 C ATOM 313 C LEU A 40 -7.466 -7.420 -5.788 1.00 0.00 C ATOM 314 O LEU A 40 -7.608 -8.631 -5.962 1.00 0.00 O ATOM 315 CB LEU A 40 -6.914 -5.914 -7.730 1.00 0.00 C ATOM 316 CG LEU A 40 -7.508 -5.449 -9.073 1.00 0.00 C ATOM 317 CD1 LEU A 40 -8.044 -6.652 -9.883 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.642 -4.450 -8.812 1.00 0.00 C ATOM 0 H LEU A 40 -8.141 -4.404 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.794 -6.923 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.378 -5.091 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.190 -6.710 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.722 -4.968 -9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.459 -6.299 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.230 -7.349 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.822 -7.158 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.063 -4.121 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.420 -4.930 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.251 -3.589 -8.270 1.00 0.00 H new ATOM 330 N TRP A 41 -6.810 -6.915 -4.744 1.00 0.00 N ATOM 331 CA TRP A 41 -6.212 -7.781 -3.731 1.00 0.00 C ATOM 332 C TRP A 41 -7.272 -8.490 -2.890 1.00 0.00 C ATOM 333 O TRP A 41 -7.169 -9.693 -2.639 1.00 0.00 O ATOM 334 CB TRP A 41 -5.271 -6.958 -2.839 1.00 0.00 C ATOM 335 CG TRP A 41 -4.799 -7.778 -1.676 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.760 -8.648 -1.699 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.293 -7.776 -0.305 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.621 -9.211 -0.443 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.537 -8.698 0.449 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.326 -7.079 0.346 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.792 -8.918 1.799 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.578 -7.296 1.710 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.811 -8.213 2.434 1.00 0.00 C ATOM 0 H TRP A 41 -6.680 -5.917 -4.579 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.640 -8.556 -4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.415 -6.616 -3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.788 -6.068 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.142 -8.866 -2.557 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.926 -9.919 -0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.929 -6.373 -0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.202 -9.633 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.369 -6.751 2.203 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.008 -8.374 3.484 1.00 0.00 H new ATOM 354 N ILE A 42 -8.279 -7.750 -2.441 1.00 0.00 N ATOM 355 CA ILE A 42 -9.323 -8.346 -1.616 1.00 0.00 C ATOM 356 C ILE A 42 -10.084 -9.405 -2.410 1.00 0.00 C ATOM 357 O ILE A 42 -10.356 -10.490 -1.903 1.00 0.00 O ATOM 358 CB ILE A 42 -10.290 -7.256 -1.118 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.148 -7.802 0.029 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.211 -6.799 -2.256 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.934 -6.653 0.668 1.00 0.00 C ATOM 0 H ILE A 42 -8.395 -6.754 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.859 -8.824 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.701 -6.409 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.834 -8.562 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.515 -8.283 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.889 -6.028 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.610 -6.395 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.790 -7.648 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.545 -7.040 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.239 -5.908 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.578 -6.192 -0.081 1.00 0.00 H new ATOM 373 N LEU A 43 -10.409 -9.085 -3.660 1.00 0.00 N ATOM 374 CA LEU A 43 -11.124 -10.024 -4.514 1.00 0.00 C ATOM 375 C LEU A 43 -10.269 -11.251 -4.808 1.00 0.00 C ATOM 376 O LEU A 43 -10.761 -12.377 -4.782 1.00 0.00 O ATOM 377 CB LEU A 43 -11.525 -9.346 -5.830 1.00 0.00 C ATOM 378 CG LEU A 43 -12.638 -8.316 -5.571 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.847 -7.475 -6.835 1.00 0.00 C ATOM 380 CD2 LEU A 43 -13.959 -9.023 -5.190 1.00 0.00 C ATOM 0 H LEU A 43 -10.190 -8.191 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.022 -10.344 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.659 -8.855 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.869 -10.094 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.341 -7.674 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.635 -6.743 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.921 -6.958 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.135 -8.125 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.733 -8.276 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.269 -9.679 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.808 -9.613 -4.286 1.00 0.00 H new ATOM 392 N ASP A 44 -8.987 -11.024 -5.080 1.00 0.00 N ATOM 393 CA ASP A 44 -8.072 -12.121 -5.379 1.00 0.00 C ATOM 394 C ASP A 44 -8.117 -13.164 -4.272 1.00 0.00 C ATOM 395 O ASP A 44 -7.994 -14.362 -4.529 1.00 0.00 O ATOM 396 CB ASP A 44 -6.642 -11.594 -5.528 1.00 0.00 C ATOM 397 CG ASP A 44 -5.696 -12.736 -5.884 1.00 0.00 C ATOM 398 OD1 ASP A 44 -6.148 -13.869 -5.907 1.00 0.00 O ATOM 399 OD2 ASP A 44 -4.534 -12.463 -6.131 1.00 0.00 O ATOM 0 H ASP A 44 -8.561 -10.098 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.383 -12.582 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.607 -10.828 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.322 -11.122 -4.599 1.00 0.00 H new ATOM 404 N ARG A 45 -8.298 -12.704 -3.042 1.00 0.00 N ATOM 405 CA ARG A 45 -8.358 -13.611 -1.907 1.00 0.00 C ATOM 406 C ARG A 45 -9.489 -14.622 -2.086 1.00 0.00 C ATOM 407 O ARG A 45 -9.324 -15.806 -1.792 1.00 0.00 O ATOM 408 CB ARG A 45 -8.578 -12.818 -0.614 1.00 0.00 C ATOM 409 CG ARG A 45 -8.546 -13.767 0.589 1.00 0.00 C ATOM 410 CD ARG A 45 -8.735 -12.966 1.878 1.00 0.00 C ATOM 411 NE ARG A 45 -8.544 -13.830 3.039 1.00 0.00 N ATOM 412 CZ ARG A 45 -8.681 -13.363 4.274 1.00 0.00 C ATOM 413 NH1 ARG A 45 -8.994 -12.110 4.467 1.00 0.00 N ATOM 414 NH2 ARG A 45 -8.503 -14.154 5.297 1.00 0.00 N ATOM 0 H ARG A 45 -8.405 -11.717 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.412 -14.149 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.806 -12.056 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.535 -12.299 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.332 -14.516 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.597 -14.303 0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.025 -12.140 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.733 -12.529 1.901 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.301 -14.811 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.133 -11.490 3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.099 -11.751 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.258 -15.133 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.609 -13.793 6.245 1.00 0.00 H new ATOM 617 N VAL B 27 6.721 12.414 0.052 1.00 0.00 N ATOM 618 CA VAL B 27 5.483 12.239 -0.700 1.00 0.00 C ATOM 619 C VAL B 27 5.765 11.603 -2.059 1.00 0.00 C ATOM 620 O VAL B 27 5.081 10.665 -2.468 1.00 0.00 O ATOM 621 CB VAL B 27 4.800 13.595 -0.896 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.563 13.431 -1.782 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.374 14.153 0.465 1.00 0.00 C ATOM 0 HA VAL B 27 4.825 11.578 -0.136 1.00 0.00 H new ATOM 0 HB VAL B 27 5.499 14.281 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.082 14.399 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.861 13.035 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.864 12.742 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.888 15.119 0.326 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.679 13.461 0.940 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.252 14.277 1.099 1.00 0.00 H new ATOM 633 N VAL B 28 6.777 12.116 -2.749 1.00 0.00 N ATOM 634 CA VAL B 28 7.139 11.589 -4.059 1.00 0.00 C ATOM 635 C VAL B 28 7.623 10.147 -3.940 1.00 0.00 C ATOM 636 O VAL B 28 7.237 9.283 -4.730 1.00 0.00 O ATOM 637 CB VAL B 28 8.242 12.454 -4.679 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.732 11.814 -5.981 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.687 13.849 -4.977 1.00 0.00 C ATOM 0 H VAL B 28 7.357 12.890 -2.426 1.00 0.00 H new ATOM 0 HA VAL B 28 6.257 11.611 -4.699 1.00 0.00 H new ATOM 0 HB VAL B 28 9.074 12.531 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.516 12.433 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.128 10.820 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.901 11.733 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.470 14.466 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.853 13.768 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.342 14.309 -4.051 1.00 0.00 H new ATOM 649 N ALA B 29 8.473 9.894 -2.950 1.00 0.00 N ATOM 650 CA ALA B 29 9.008 8.554 -2.740 1.00 0.00 C ATOM 651 C ALA B 29 7.886 7.565 -2.450 1.00 0.00 C ATOM 652 O ALA B 29 7.856 6.469 -3.008 1.00 0.00 O ATOM 653 CB ALA B 29 9.995 8.561 -1.572 1.00 0.00 C ATOM 0 H ALA B 29 8.804 10.593 -2.285 1.00 0.00 H new ATOM 0 HA ALA B 29 9.522 8.246 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.389 7.556 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.816 9.244 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.485 8.889 -0.666 1.00 0.00 H new ATOM 659 N ALA B 30 6.965 7.959 -1.578 1.00 0.00 N ATOM 660 CA ALA B 30 5.847 7.094 -1.219 1.00 0.00 C ATOM 661 C ALA B 30 5.041 6.720 -2.458 1.00 0.00 C ATOM 662 O ALA B 30 4.547 5.597 -2.575 1.00 0.00 O ATOM 663 CB ALA B 30 4.942 7.802 -0.209 1.00 0.00 C ATOM 0 H ALA B 30 6.969 8.865 -1.109 1.00 0.00 H new ATOM 0 HA ALA B 30 6.244 6.183 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.110 7.149 0.054 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.514 8.040 0.688 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.557 8.722 -0.648 1.00 0.00 H new ATOM 669 N ASN B 31 4.912 7.667 -3.380 1.00 0.00 N ATOM 670 CA ASN B 31 4.165 7.424 -4.610 1.00 0.00 C ATOM 671 C ASN B 31 4.836 6.332 -5.436 1.00 0.00 C ATOM 672 O ASN B 31 4.166 5.498 -6.044 1.00 0.00 O ATOM 673 CB ASN B 31 4.076 8.710 -5.433 1.00 0.00 C ATOM 674 CG ASN B 31 3.336 8.440 -6.737 1.00 0.00 C ATOM 675 OD1 ASN B 31 3.953 8.377 -7.800 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.042 8.274 -6.720 1.00 0.00 N ATOM 0 H ASN B 31 5.311 8.603 -3.302 1.00 0.00 H new ATOM 0 HA ASN B 31 3.160 7.097 -4.343 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.558 9.482 -4.864 1.00 0.00 H new ATOM 0 HB3 ASN B 31 5.077 9.087 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.540 8.092 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN B 31 1.533 8.327 -5.838 1.00 0.00 H new ATOM 683 N ILE B 32 6.164 6.343 -5.455 1.00 0.00 N ATOM 684 CA ILE B 32 6.916 5.349 -6.214 1.00 0.00 C ATOM 685 C ILE B 32 6.635 3.948 -5.675 1.00 0.00 C ATOM 686 O ILE B 32 6.471 3.004 -6.445 1.00 0.00 O ATOM 687 CB ILE B 32 8.419 5.644 -6.143 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.715 6.948 -6.892 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.200 4.497 -6.796 1.00 0.00 C ATOM 690 CD1 ILE B 32 10.162 7.380 -6.639 1.00 0.00 C ATOM 0 H ILE B 32 6.739 7.023 -4.958 1.00 0.00 H new ATOM 0 HA ILE B 32 6.598 5.399 -7.255 1.00 0.00 H new ATOM 0 HB ILE B 32 8.721 5.741 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE B 32 8.550 6.809 -7.960 1.00 0.00 H new ATOM 0 HG13 ILE B 32 8.030 7.730 -6.563 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.268 4.708 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE B 32 8.989 3.567 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.899 4.400 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE B 32 10.364 8.307 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE B 32 10.313 7.538 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.841 6.603 -6.991 1.00 0.00 H new ATOM 702 N ILE B 33 6.587 3.819 -4.354 1.00 0.00 N ATOM 703 CA ILE B 33 6.331 2.522 -3.736 1.00 0.00 C ATOM 704 C ILE B 33 4.959 1.989 -4.153 1.00 0.00 C ATOM 705 O ILE B 33 4.819 0.803 -4.453 1.00 0.00 O ATOM 706 CB ILE B 33 6.416 2.649 -2.194 1.00 0.00 C ATOM 707 CG1 ILE B 33 7.891 2.634 -1.730 1.00 0.00 C ATOM 708 CG2 ILE B 33 5.648 1.502 -1.510 1.00 0.00 C ATOM 709 CD1 ILE B 33 8.530 4.004 -1.966 1.00 0.00 C ATOM 0 H ILE B 33 6.720 4.587 -3.696 1.00 0.00 H new ATOM 0 HA ILE B 33 7.088 1.815 -4.076 1.00 0.00 H new ATOM 0 HB ILE B 33 5.962 3.598 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE B 33 7.945 2.376 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE B 33 8.444 1.868 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE B 33 5.720 1.610 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE B 33 4.600 1.537 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE B 33 6.079 0.546 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE B 33 9.569 3.983 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.492 4.245 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE B 33 7.985 4.761 -1.402 1.00 0.00 H new ATOM 721 N GLY B 34 3.950 2.846 -4.161 1.00 0.00 N ATOM 722 CA GLY B 34 2.613 2.404 -4.533 1.00 0.00 C ATOM 723 C GLY B 34 2.607 1.765 -5.920 1.00 0.00 C ATOM 724 O GLY B 34 2.178 0.622 -6.082 1.00 0.00 O ATOM 0 H GLY B 34 4.027 3.834 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY B 34 2.247 1.687 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY B 34 1.929 3.253 -4.518 1.00 0.00 H new ATOM 728 N ILE B 35 3.083 2.506 -6.916 1.00 0.00 N ATOM 729 CA ILE B 35 3.123 1.997 -8.285 1.00 0.00 C ATOM 730 C ILE B 35 4.173 0.887 -8.428 1.00 0.00 C ATOM 731 O ILE B 35 3.926 -0.131 -9.073 1.00 0.00 O ATOM 732 CB ILE B 35 3.420 3.150 -9.269 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.144 3.975 -9.499 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.900 2.594 -10.619 1.00 0.00 C ATOM 735 CD1 ILE B 35 1.716 4.648 -8.195 1.00 0.00 C ATOM 0 H ILE B 35 3.444 3.453 -6.804 1.00 0.00 H new ATOM 0 HA ILE B 35 2.148 1.571 -8.522 1.00 0.00 H new ATOM 0 HB ILE B 35 4.201 3.778 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE B 35 2.322 4.729 -10.266 1.00 0.00 H new ATOM 0 HG13 ILE B 35 1.345 3.330 -9.865 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.105 3.420 -11.300 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.810 2.012 -10.470 1.00 0.00 H new ATOM 0 HG23 ILE B 35 3.126 1.955 -11.045 1.00 0.00 H new ATOM 0 HD11 ILE B 35 0.811 5.231 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE B 35 1.520 3.887 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.512 5.307 -7.848 1.00 0.00 H new ATOM 747 N LEU B 36 5.349 1.102 -7.842 1.00 0.00 N ATOM 748 CA LEU B 36 6.431 0.125 -7.938 1.00 0.00 C ATOM 749 C LEU B 36 6.015 -1.202 -7.317 1.00 0.00 C ATOM 750 O LEU B 36 6.234 -2.266 -7.900 1.00 0.00 O ATOM 751 CB LEU B 36 7.671 0.664 -7.215 1.00 0.00 C ATOM 752 CG LEU B 36 8.843 -0.328 -7.322 1.00 0.00 C ATOM 753 CD1 LEU B 36 9.225 -0.547 -8.796 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.045 0.239 -6.556 1.00 0.00 C ATOM 0 H LEU B 36 5.576 1.936 -7.300 1.00 0.00 H new ATOM 0 HA LEU B 36 6.659 -0.041 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU B 36 7.960 1.623 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.436 0.844 -6.166 1.00 0.00 H new ATOM 0 HG LEU B 36 8.546 -1.286 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU B 36 10.055 -1.251 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU B 36 8.369 -0.949 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.522 0.403 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.882 -0.456 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.333 1.197 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU B 36 9.776 0.380 -5.509 1.00 0.00 H new ATOM 766 N HIS B 37 5.412 -1.138 -6.140 1.00 0.00 N ATOM 767 CA HIS B 37 4.967 -2.343 -5.458 1.00 0.00 C ATOM 768 C HIS B 37 3.952 -3.083 -6.316 1.00 0.00 C ATOM 769 O HIS B 37 3.972 -4.312 -6.396 1.00 0.00 O ATOM 770 CB HIS B 37 4.341 -1.995 -4.107 1.00 0.00 C ATOM 771 CG HIS B 37 3.920 -3.271 -3.427 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.476 -3.698 -2.235 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.011 -4.234 -3.780 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.901 -4.875 -1.920 1.00 0.00 C ATOM 775 NE2 HIS B 37 3.001 -5.243 -2.830 1.00 0.00 N ATOM 0 H HIS B 37 5.220 -0.270 -5.640 1.00 0.00 H new ATOM 0 HA HIS B 37 5.833 -2.983 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.056 -1.455 -3.487 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.481 -1.340 -4.246 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.394 -4.210 -4.666 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.141 -5.450 -1.038 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.427 -6.086 -2.828 1.00 0.00 H new ATOM 783 N LEU B 38 3.060 -2.330 -6.948 1.00 0.00 N ATOM 784 CA LEU B 38 2.031 -2.933 -7.786 1.00 0.00 C ATOM 785 C LEU B 38 2.646 -3.719 -8.934 1.00 0.00 C ATOM 786 O LEU B 38 2.148 -4.781 -9.284 1.00 0.00 O ATOM 787 CB LEU B 38 1.084 -1.848 -8.346 1.00 0.00 C ATOM 788 CG LEU B 38 -0.079 -1.577 -7.372 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.768 -0.264 -7.761 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.108 -2.726 -7.430 1.00 0.00 C ATOM 0 H LEU B 38 3.028 -1.312 -6.898 1.00 0.00 H new ATOM 0 HA LEU B 38 1.460 -3.621 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.641 -0.927 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.689 -2.167 -9.311 1.00 0.00 H new ATOM 0 HG LEU B 38 0.317 -1.507 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.592 -0.068 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.049 0.554 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.154 -0.343 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.923 -2.520 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.505 -2.809 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.624 -3.662 -7.153 1.00 0.00 H new ATOM 802 N ILE B 39 3.708 -3.195 -9.525 1.00 0.00 N ATOM 803 CA ILE B 39 4.338 -3.886 -10.642 1.00 0.00 C ATOM 804 C ILE B 39 4.867 -5.244 -10.187 1.00 0.00 C ATOM 805 O ILE B 39 4.685 -6.253 -10.869 1.00 0.00 O ATOM 806 CB ILE B 39 5.484 -3.034 -11.198 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.910 -1.750 -11.802 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.217 -3.813 -12.293 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.043 -0.765 -12.104 1.00 0.00 C ATOM 0 H ILE B 39 4.145 -2.313 -9.259 1.00 0.00 H new ATOM 0 HA ILE B 39 3.598 -4.043 -11.427 1.00 0.00 H new ATOM 0 HB ILE B 39 6.178 -2.791 -10.393 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.363 -1.981 -12.716 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.199 -1.299 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE B 39 7.032 -3.206 -12.688 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.621 -4.735 -11.875 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.521 -4.053 -13.097 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.628 0.147 -12.534 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.571 -0.524 -11.181 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.738 -1.216 -12.812 1.00 0.00 H new ATOM 821 N LEU B 40 5.520 -5.272 -9.033 1.00 0.00 N ATOM 822 CA LEU B 40 6.052 -6.527 -8.512 1.00 0.00 C ATOM 823 C LEU B 40 4.926 -7.445 -8.020 1.00 0.00 C ATOM 824 O LEU B 40 4.950 -8.651 -8.263 1.00 0.00 O ATOM 825 CB LEU B 40 7.041 -6.240 -7.371 1.00 0.00 C ATOM 826 CG LEU B 40 8.431 -5.895 -7.941 1.00 0.00 C ATOM 827 CD1 LEU B 40 9.084 -7.139 -8.585 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.289 -4.780 -8.987 1.00 0.00 C ATOM 0 H LEU B 40 5.693 -4.455 -8.447 1.00 0.00 H new ATOM 0 HA LEU B 40 6.573 -7.040 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.675 -5.413 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.114 -7.109 -6.717 1.00 0.00 H new ATOM 0 HG LEU B 40 9.071 -5.556 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU B 40 10.064 -6.872 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU B 40 9.197 -7.921 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.453 -7.503 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.271 -4.534 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.638 -5.118 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.857 -3.895 -8.519 1.00 0.00 H new ATOM 840 N TRP B 41 3.954 -6.871 -7.311 1.00 0.00 N ATOM 841 CA TRP B 41 2.844 -7.655 -6.773 1.00 0.00 C ATOM 842 C TRP B 41 1.918 -8.164 -7.876 1.00 0.00 C ATOM 843 O TRP B 41 1.522 -9.331 -7.872 1.00 0.00 O ATOM 844 CB TRP B 41 2.061 -6.811 -5.755 1.00 0.00 C ATOM 845 CG TRP B 41 0.805 -7.518 -5.337 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.722 -8.468 -4.374 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.557 -7.305 -5.810 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.594 -8.880 -4.263 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.419 -8.186 -5.122 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.119 -6.449 -6.773 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.786 -8.215 -5.374 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.502 -6.473 -7.023 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.331 -7.353 -6.325 1.00 0.00 C ATOM 0 H TRP B 41 3.913 -5.874 -7.097 1.00 0.00 H new ATOM 0 HA TRP B 41 3.259 -8.531 -6.275 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.683 -6.616 -4.881 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.812 -5.844 -6.191 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.549 -8.842 -3.789 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.914 -9.608 -3.624 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.485 -5.770 -7.323 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.423 -8.902 -4.836 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.926 -5.807 -7.760 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.393 -7.366 -6.521 1.00 0.00 H new ATOM 864 N ILE B 42 1.562 -7.292 -8.813 1.00 0.00 N ATOM 865 CA ILE B 42 0.668 -7.693 -9.892 1.00 0.00 C ATOM 866 C ILE B 42 1.322 -8.772 -10.748 1.00 0.00 C ATOM 867 O ILE B 42 0.685 -9.761 -11.105 1.00 0.00 O ATOM 868 CB ILE B 42 0.304 -6.473 -10.759 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.905 -6.801 -11.643 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.488 -6.084 -11.653 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.397 -5.521 -12.324 1.00 0.00 C ATOM 0 H ILE B 42 1.872 -6.321 -8.848 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.245 -8.100 -9.457 1.00 0.00 H new ATOM 0 HB ILE B 42 0.061 -5.640 -10.099 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.631 -7.543 -12.393 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.703 -7.236 -11.041 1.00 0.00 H new ATOM 0 HG21 ILE B 42 1.217 -5.220 -12.260 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.347 -5.835 -11.031 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.742 -6.920 -12.304 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.257 -5.751 -12.953 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.687 -4.794 -11.566 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.598 -5.106 -12.939 1.00 0.00 H new ATOM 883 N LEU B 43 2.601 -8.584 -11.061 1.00 0.00 N ATOM 884 CA LEU B 43 3.331 -9.557 -11.863 1.00 0.00 C ATOM 885 C LEU B 43 3.474 -10.876 -11.117 1.00 0.00 C ATOM 886 O LEU B 43 3.308 -11.946 -11.699 1.00 0.00 O ATOM 887 CB LEU B 43 4.719 -9.014 -12.225 1.00 0.00 C ATOM 888 CG LEU B 43 4.587 -7.870 -13.244 1.00 0.00 C ATOM 889 CD1 LEU B 43 5.945 -7.175 -13.401 1.00 0.00 C ATOM 890 CD2 LEU B 43 4.116 -8.411 -14.614 1.00 0.00 C ATOM 0 H LEU B 43 3.149 -7.773 -10.773 1.00 0.00 H new ATOM 0 HA LEU B 43 2.765 -9.734 -12.778 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.224 -8.656 -11.328 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.334 -9.812 -12.640 1.00 0.00 H new ATOM 0 HG LEU B 43 3.846 -7.158 -12.882 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.857 -6.363 -14.123 1.00 0.00 H new ATOM 0 HD12 LEU B 43 6.261 -6.773 -12.439 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.684 -7.895 -13.753 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.029 -7.586 -15.321 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.841 -9.134 -14.988 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.146 -8.895 -14.500 1.00 0.00 H new ATOM 902 N ASP B 44 3.775 -10.793 -9.822 1.00 0.00 N ATOM 903 CA ASP B 44 3.942 -11.991 -9.007 1.00 0.00 C ATOM 904 C ASP B 44 2.713 -12.884 -9.123 1.00 0.00 C ATOM 905 O ASP B 44 2.820 -14.110 -9.103 1.00 0.00 O ATOM 906 CB ASP B 44 4.157 -11.608 -7.540 1.00 0.00 C ATOM 907 CG ASP B 44 4.372 -12.861 -6.697 1.00 0.00 C ATOM 908 OD1 ASP B 44 4.257 -13.947 -7.242 1.00 0.00 O ATOM 909 OD2 ASP B 44 4.656 -12.718 -5.519 1.00 0.00 O ATOM 0 H ASP B 44 3.907 -9.915 -9.319 1.00 0.00 H new ATOM 0 HA ASP B 44 4.815 -12.534 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP B 44 5.020 -10.948 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.293 -11.055 -7.170 1.00 0.00 H new ATOM 914 N ARG B 45 1.549 -12.262 -9.249 1.00 0.00 N ATOM 915 CA ARG B 45 0.310 -13.016 -9.369 1.00 0.00 C ATOM 916 C ARG B 45 0.361 -13.944 -10.583 1.00 0.00 C ATOM 917 O ARG B 45 -0.076 -15.093 -10.512 1.00 0.00 O ATOM 918 CB ARG B 45 -0.875 -12.055 -9.504 1.00 0.00 C ATOM 919 CG ARG B 45 -2.187 -12.849 -9.537 1.00 0.00 C ATOM 920 CD ARG B 45 -3.367 -11.884 -9.640 1.00 0.00 C ATOM 921 NE ARG B 45 -4.625 -12.612 -9.506 1.00 0.00 N ATOM 922 CZ ARG B 45 -5.794 -11.985 -9.587 1.00 0.00 C ATOM 923 NH1 ARG B 45 -5.831 -10.697 -9.793 1.00 0.00 N ATOM 924 NH2 ARG B 45 -6.905 -12.659 -9.464 1.00 0.00 N ATOM 0 H ARG B 45 1.437 -11.248 -9.271 1.00 0.00 H new ATOM 0 HA ARG B 45 0.185 -13.621 -8.471 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.884 -11.355 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -0.774 -11.464 -10.414 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.189 -13.533 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.279 -13.457 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.294 -11.124 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.339 -11.364 -10.598 1.00 0.00 H new ATOM 0 HE ARG B 45 -4.607 -13.619 -9.347 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.963 -10.171 -9.892 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.728 -10.216 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -6.876 -13.666 -9.306 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -7.803 -12.178 -9.526 1.00 0.00 H new ATOM 1127 N VAL C 27 1.689 11.700 7.889 1.00 0.00 N ATOM 1128 CA VAL C 27 2.414 11.537 6.633 1.00 0.00 C ATOM 1129 C VAL C 27 3.677 10.707 6.848 1.00 0.00 C ATOM 1130 O VAL C 27 3.963 9.787 6.082 1.00 0.00 O ATOM 1131 CB VAL C 27 2.787 12.910 6.066 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.654 12.735 4.818 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.513 13.669 5.695 1.00 0.00 C ATOM 0 HA VAL C 27 1.770 11.016 5.925 1.00 0.00 H new ATOM 0 HB VAL C 27 3.343 13.471 6.817 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.917 13.714 4.418 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.563 12.194 5.080 1.00 0.00 H new ATOM 0 HG13 VAL C 27 3.100 12.173 4.066 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.776 14.647 5.291 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.958 13.104 4.946 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.895 13.798 6.583 1.00 0.00 H new ATOM 1143 N VAL C 28 4.428 11.038 7.892 1.00 0.00 N ATOM 1144 CA VAL C 28 5.656 10.316 8.196 1.00 0.00 C ATOM 1145 C VAL C 28 5.350 8.864 8.555 1.00 0.00 C ATOM 1146 O VAL C 28 6.022 7.942 8.087 1.00 0.00 O ATOM 1147 CB VAL C 28 6.383 10.993 9.363 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.589 10.150 9.785 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.860 12.380 8.928 1.00 0.00 C ATOM 0 H VAL C 28 4.210 11.797 8.538 1.00 0.00 H new ATOM 0 HA VAL C 28 6.294 10.331 7.312 1.00 0.00 H new ATOM 0 HB VAL C 28 5.699 11.087 10.206 1.00 0.00 H new ATOM 0 HG11 VAL C 28 8.101 10.637 10.615 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.251 9.162 10.097 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.275 10.050 8.944 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.377 12.863 9.757 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.541 12.282 8.083 1.00 0.00 H new ATOM 0 HG23 VAL C 28 6.002 12.984 8.634 1.00 0.00 H new ATOM 1159 N ALA C 29 4.334 8.668 9.389 1.00 0.00 N ATOM 1160 CA ALA C 29 3.952 7.325 9.807 1.00 0.00 C ATOM 1161 C ALA C 29 3.537 6.484 8.608 1.00 0.00 C ATOM 1162 O ALA C 29 3.948 5.332 8.477 1.00 0.00 O ATOM 1163 CB ALA C 29 2.792 7.398 10.801 1.00 0.00 C ATOM 0 H ALA C 29 3.765 9.416 9.786 1.00 0.00 H new ATOM 0 HA ALA C 29 4.814 6.858 10.283 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.512 6.390 11.109 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.098 7.973 11.675 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.938 7.883 10.328 1.00 0.00 H new ATOM 1169 N ALA C 30 2.726 7.066 7.731 1.00 0.00 N ATOM 1170 CA ALA C 30 2.259 6.355 6.547 1.00 0.00 C ATOM 1171 C ALA C 30 3.442 5.897 5.699 1.00 0.00 C ATOM 1172 O ALA C 30 3.413 4.817 5.110 1.00 0.00 O ATOM 1173 CB ALA C 30 1.352 7.265 5.716 1.00 0.00 C ATOM 0 H ALA C 30 2.380 8.022 7.817 1.00 0.00 H new ATOM 0 HA ALA C 30 1.696 5.479 6.868 1.00 0.00 H new ATOM 0 HB1 ALA C 30 1.007 6.727 4.833 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.493 7.568 6.315 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.909 8.150 5.407 1.00 0.00 H new ATOM 1179 N ASN C 31 4.479 6.723 5.643 1.00 0.00 N ATOM 1180 CA ASN C 31 5.667 6.390 4.868 1.00 0.00 C ATOM 1181 C ASN C 31 6.343 5.146 5.433 1.00 0.00 C ATOM 1182 O ASN C 31 6.837 4.301 4.687 1.00 0.00 O ATOM 1183 CB ASN C 31 6.650 7.561 4.881 1.00 0.00 C ATOM 1184 CG ASN C 31 7.910 7.191 4.109 1.00 0.00 C ATOM 1185 OD1 ASN C 31 8.955 6.935 4.708 1.00 0.00 O ATOM 1186 ND2 ASN C 31 7.874 7.139 2.805 1.00 0.00 N ATOM 0 H ASN C 31 4.522 7.623 6.122 1.00 0.00 H new ATOM 0 HA ASN C 31 5.362 6.189 3.841 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.186 8.441 4.436 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.906 7.821 5.908 1.00 0.00 H new ATOM 0 HD21 ASN C 31 8.712 6.886 2.281 1.00 0.00 H new ATOM 0 HD22 ASN C 31 7.008 7.351 2.310 1.00 0.00 H new ATOM 1193 N ILE C 32 6.362 5.038 6.757 1.00 0.00 N ATOM 1194 CA ILE C 32 6.984 3.893 7.412 1.00 0.00 C ATOM 1195 C ILE C 32 6.268 2.603 7.018 1.00 0.00 C ATOM 1196 O ILE C 32 6.907 1.584 6.767 1.00 0.00 O ATOM 1197 CB ILE C 32 6.947 4.061 8.936 1.00 0.00 C ATOM 1198 CG1 ILE C 32 7.859 5.228 9.336 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.447 2.777 9.609 1.00 0.00 C ATOM 1200 CD1 ILE C 32 7.662 5.559 10.818 1.00 0.00 C ATOM 0 H ILE C 32 5.957 5.724 7.394 1.00 0.00 H new ATOM 0 HA ILE C 32 8.023 3.837 7.088 1.00 0.00 H new ATOM 0 HB ILE C 32 5.924 4.263 9.254 1.00 0.00 H new ATOM 0 HG12 ILE C 32 8.901 4.968 9.148 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.634 6.103 8.726 1.00 0.00 H new ATOM 0 HG21 ILE C 32 7.420 2.899 10.692 1.00 0.00 H new ATOM 0 HG22 ILE C 32 6.807 1.943 9.322 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.470 2.575 9.292 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.313 6.388 11.095 1.00 0.00 H new ATOM 0 HD12 ILE C 32 6.623 5.838 10.993 1.00 0.00 H new ATOM 0 HD13 ILE C 32 7.910 4.686 11.422 1.00 0.00 H new ATOM 1212 N ILE C 33 4.940 2.652 6.969 1.00 0.00 N ATOM 1213 CA ILE C 33 4.158 1.473 6.609 1.00 0.00 C ATOM 1214 C ILE C 33 4.507 1.011 5.192 1.00 0.00 C ATOM 1215 O ILE C 33 4.649 -0.186 4.948 1.00 0.00 O ATOM 1216 CB ILE C 33 2.646 1.794 6.716 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.179 1.710 8.188 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.821 0.819 5.858 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.592 2.975 8.944 1.00 0.00 C ATOM 0 H ILE C 33 4.388 3.485 7.171 1.00 0.00 H new ATOM 0 HA ILE C 33 4.398 0.665 7.300 1.00 0.00 H new ATOM 0 HB ILE C 33 2.490 2.808 6.348 1.00 0.00 H new ATOM 0 HG12 ILE C 33 1.096 1.590 8.228 1.00 0.00 H new ATOM 0 HG13 ILE C 33 2.614 0.833 8.666 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.762 1.062 5.947 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.126 0.904 4.815 1.00 0.00 H new ATOM 0 HG23 ILE C 33 1.989 -0.201 6.203 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.258 2.905 9.979 1.00 0.00 H new ATOM 0 HD12 ILE C 33 3.677 3.076 8.918 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.135 3.846 8.473 1.00 0.00 H new ATOM 1231 N GLY C 34 4.627 1.946 4.261 1.00 0.00 N ATOM 1232 CA GLY C 34 4.942 1.577 2.887 1.00 0.00 C ATOM 1233 C GLY C 34 6.234 0.766 2.812 1.00 0.00 C ATOM 1234 O GLY C 34 6.247 -0.345 2.283 1.00 0.00 O ATOM 0 H GLY C 34 4.514 2.946 4.425 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.121 0.996 2.467 1.00 0.00 H new ATOM 0 HA3 GLY C 34 5.039 2.477 2.280 1.00 0.00 H new ATOM 1238 N ILE C 35 7.317 1.329 3.341 1.00 0.00 N ATOM 1239 CA ILE C 35 8.609 0.644 3.324 1.00 0.00 C ATOM 1240 C ILE C 35 8.603 -0.562 4.274 1.00 0.00 C ATOM 1241 O ILE C 35 9.109 -1.630 3.931 1.00 0.00 O ATOM 1242 CB ILE C 35 9.732 1.630 3.711 1.00 0.00 C ATOM 1243 CG1 ILE C 35 10.071 2.524 2.506 1.00 0.00 C ATOM 1244 CG2 ILE C 35 11.000 0.864 4.127 1.00 0.00 C ATOM 1245 CD1 ILE C 35 8.862 3.390 2.143 1.00 0.00 C ATOM 0 H ILE C 35 7.328 2.248 3.783 1.00 0.00 H new ATOM 0 HA ILE C 35 8.792 0.276 2.315 1.00 0.00 H new ATOM 0 HB ILE C 35 9.385 2.238 4.547 1.00 0.00 H new ATOM 0 HG12 ILE C 35 10.926 3.158 2.742 1.00 0.00 H new ATOM 0 HG13 ILE C 35 10.357 1.907 1.654 1.00 0.00 H new ATOM 0 HG21 ILE C 35 11.782 1.574 4.397 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.776 0.228 4.983 1.00 0.00 H new ATOM 0 HG23 ILE C 35 11.341 0.247 3.296 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.109 4.020 1.289 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.018 2.749 1.888 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.596 4.018 2.993 1.00 0.00 H new ATOM 1257 N LEU C 36 8.051 -0.375 5.468 1.00 0.00 N ATOM 1258 CA LEU C 36 8.015 -1.447 6.461 1.00 0.00 C ATOM 1259 C LEU C 36 7.228 -2.643 5.938 1.00 0.00 C ATOM 1260 O LEU C 36 7.667 -3.787 6.056 1.00 0.00 O ATOM 1261 CB LEU C 36 7.366 -0.929 7.751 1.00 0.00 C ATOM 1262 CG LEU C 36 7.340 -2.025 8.830 1.00 0.00 C ATOM 1263 CD1 LEU C 36 8.773 -2.466 9.176 1.00 0.00 C ATOM 1264 CD2 LEU C 36 6.653 -1.471 10.083 1.00 0.00 C ATOM 0 H LEU C 36 7.625 0.501 5.772 1.00 0.00 H new ATOM 0 HA LEU C 36 9.037 -1.767 6.664 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.918 -0.064 8.119 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.350 -0.594 7.543 1.00 0.00 H new ATOM 0 HG LEU C 36 6.791 -2.889 8.456 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.740 -3.242 9.941 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.259 -2.858 8.282 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.336 -1.611 9.550 1.00 0.00 H new ATOM 0 HD21 LEU C 36 6.629 -2.240 10.855 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.207 -0.606 10.449 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.634 -1.172 9.837 1.00 0.00 H new ATOM 1276 N HIS C 37 6.068 -2.372 5.353 1.00 0.00 N ATOM 1277 CA HIS C 37 5.237 -3.436 4.813 1.00 0.00 C ATOM 1278 C HIS C 37 5.993 -4.191 3.730 1.00 0.00 C ATOM 1279 O HIS C 37 5.913 -5.417 3.642 1.00 0.00 O ATOM 1280 CB HIS C 37 3.944 -2.866 4.232 1.00 0.00 C ATOM 1281 CG HIS C 37 3.106 -3.999 3.707 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.867 -4.315 4.238 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.331 -4.917 2.717 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.402 -5.387 3.566 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.259 -5.791 2.627 1.00 0.00 N ATOM 0 H HIS C 37 5.685 -1.433 5.242 1.00 0.00 H new ATOM 0 HA HIS C 37 4.987 -4.120 5.624 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.397 -2.316 4.998 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.169 -2.161 3.432 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.214 -4.955 2.097 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.452 -5.861 3.764 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.149 -6.574 1.982 1.00 0.00 H new ATOM 1293 N LEU C 38 6.720 -3.451 2.899 1.00 0.00 N ATOM 1294 CA LEU C 38 7.475 -4.066 1.814 1.00 0.00 C ATOM 1295 C LEU C 38 8.510 -5.042 2.348 1.00 0.00 C ATOM 1296 O LEU C 38 8.721 -6.094 1.756 1.00 0.00 O ATOM 1297 CB LEU C 38 8.169 -2.982 0.959 1.00 0.00 C ATOM 1298 CG LEU C 38 7.241 -2.488 -0.167 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.796 -1.181 -0.744 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.151 -3.542 -1.291 1.00 0.00 C ATOM 0 H LEU C 38 6.802 -2.436 2.955 1.00 0.00 H new ATOM 0 HA LEU C 38 6.772 -4.619 1.191 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.456 -2.143 1.593 1.00 0.00 H new ATOM 0 HB3 LEU C 38 9.086 -3.385 0.529 1.00 0.00 H new ATOM 0 HG LEU C 38 6.245 -2.322 0.244 1.00 0.00 H new ATOM 0 HD11 LEU C 38 7.142 -0.828 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.847 -0.429 0.043 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.795 -1.355 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.492 -3.178 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.144 -3.721 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.753 -4.473 -0.886 1.00 0.00 H new ATOM 1312 N ILE C 39 9.162 -4.697 3.446 1.00 0.00 N ATOM 1313 CA ILE C 39 10.178 -5.577 4.003 1.00 0.00 C ATOM 1314 C ILE C 39 9.551 -6.907 4.416 1.00 0.00 C ATOM 1315 O ILE C 39 10.096 -7.973 4.142 1.00 0.00 O ATOM 1316 CB ILE C 39 10.838 -4.907 5.212 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.608 -3.669 4.747 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.821 -5.883 5.867 1.00 0.00 C ATOM 1319 CD1 ILE C 39 12.031 -2.834 5.960 1.00 0.00 C ATOM 0 H ILE C 39 9.011 -3.830 3.962 1.00 0.00 H new ATOM 0 HA ILE C 39 10.937 -5.769 3.245 1.00 0.00 H new ATOM 0 HB ILE C 39 10.069 -4.621 5.929 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.487 -3.969 4.177 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.985 -3.071 4.082 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.290 -5.405 6.727 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.285 -6.774 6.194 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.588 -6.165 5.146 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.579 -1.954 5.623 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.145 -2.520 6.513 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.670 -3.433 6.609 1.00 0.00 H new ATOM 1331 N LEU C 40 8.401 -6.842 5.077 1.00 0.00 N ATOM 1332 CA LEU C 40 7.722 -8.058 5.504 1.00 0.00 C ATOM 1333 C LEU C 40 7.116 -8.804 4.307 1.00 0.00 C ATOM 1334 O LEU C 40 7.200 -10.030 4.223 1.00 0.00 O ATOM 1335 CB LEU C 40 6.624 -7.715 6.525 1.00 0.00 C ATOM 1336 CG LEU C 40 7.232 -7.569 7.934 1.00 0.00 C ATOM 1337 CD1 LEU C 40 7.708 -8.938 8.470 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.413 -6.591 7.879 1.00 0.00 C ATOM 0 H LEU C 40 7.926 -5.974 5.326 1.00 0.00 H new ATOM 0 HA LEU C 40 8.457 -8.712 5.972 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.127 -6.788 6.238 1.00 0.00 H new ATOM 0 HB3 LEU C 40 5.864 -8.496 6.528 1.00 0.00 H new ATOM 0 HG LEU C 40 6.467 -7.185 8.609 1.00 0.00 H new ATOM 0 HD11 LEU C 40 8.133 -8.811 9.465 1.00 0.00 H new ATOM 0 HD12 LEU C 40 6.862 -9.623 8.522 1.00 0.00 H new ATOM 0 HD13 LEU C 40 8.465 -9.347 7.801 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.845 -6.486 8.874 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.170 -6.972 7.193 1.00 0.00 H new ATOM 0 HD23 LEU C 40 8.064 -5.619 7.530 1.00 0.00 H new ATOM 1350 N TRP C 41 6.489 -8.061 3.395 1.00 0.00 N ATOM 1351 CA TRP C 41 5.856 -8.669 2.227 1.00 0.00 C ATOM 1352 C TRP C 41 6.885 -9.235 1.250 1.00 0.00 C ATOM 1353 O TRP C 41 6.730 -10.353 0.755 1.00 0.00 O ATOM 1354 CB TRP C 41 4.956 -7.636 1.530 1.00 0.00 C ATOM 1355 CG TRP C 41 4.455 -8.174 0.222 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.378 -8.980 0.068 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.956 -7.907 -1.119 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.220 -9.262 -1.277 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.162 -8.616 -2.048 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.022 -7.137 -1.614 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.412 -8.560 -3.414 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.270 -7.073 -2.996 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.468 -7.784 -3.892 1.00 0.00 C ATOM 0 H TRP C 41 6.407 -7.045 3.442 1.00 0.00 H new ATOM 0 HA TRP C 41 5.248 -9.506 2.569 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.113 -7.386 2.174 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.513 -6.714 1.362 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.746 -9.343 0.865 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.495 -9.873 -1.652 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.654 -6.591 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.792 -9.115 -4.102 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.086 -6.470 -3.368 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.665 -7.733 -4.953 1.00 0.00 H new ATOM 1374 N ILE C 42 7.928 -8.464 0.961 1.00 0.00 N ATOM 1375 CA ILE C 42 8.947 -8.922 0.024 1.00 0.00 C ATOM 1376 C ILE C 42 9.655 -10.157 0.575 1.00 0.00 C ATOM 1377 O ILE C 42 9.881 -11.125 -0.149 1.00 0.00 O ATOM 1378 CB ILE C 42 9.966 -7.798 -0.239 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.801 -8.131 -1.480 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.902 -7.633 0.966 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.644 -6.912 -1.867 1.00 0.00 C ATOM 0 H ILE C 42 8.089 -7.536 1.354 1.00 0.00 H new ATOM 0 HA ILE C 42 8.465 -9.188 -0.917 1.00 0.00 H new ATOM 0 HB ILE C 42 9.420 -6.868 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.448 -8.985 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE C 42 10.148 -8.413 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.617 -6.835 0.765 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.316 -7.381 1.850 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.439 -8.565 1.140 1.00 0.00 H new ATOM 0 HD11 ILE C 42 12.239 -7.146 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.987 -6.070 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.307 -6.651 -1.042 1.00 0.00 H new ATOM 1393 N LEU C 43 9.987 -10.122 1.863 1.00 0.00 N ATOM 1394 CA LEU C 43 10.655 -11.250 2.500 1.00 0.00 C ATOM 1395 C LEU C 43 9.742 -12.470 2.534 1.00 0.00 C ATOM 1396 O LEU C 43 10.183 -13.587 2.273 1.00 0.00 O ATOM 1397 CB LEU C 43 11.081 -10.881 3.925 1.00 0.00 C ATOM 1398 CG LEU C 43 12.241 -9.873 3.882 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.484 -9.326 5.294 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.529 -10.544 3.354 1.00 0.00 C ATOM 0 H LEU C 43 9.806 -9.331 2.481 1.00 0.00 H new ATOM 0 HA LEU C 43 11.541 -11.494 1.914 1.00 0.00 H new ATOM 0 HB2 LEU C 43 10.237 -10.454 4.467 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.386 -11.777 4.466 1.00 0.00 H new ATOM 0 HG LEU C 43 11.977 -9.058 3.208 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.306 -8.610 5.270 1.00 0.00 H new ATOM 0 HD12 LEU C 43 11.582 -8.831 5.653 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.738 -10.148 5.964 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.337 -9.813 3.332 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.804 -11.370 4.010 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.355 -10.923 2.347 1.00 0.00 H new ATOM 1412 N ASP C 44 8.470 -12.246 2.854 1.00 0.00 N ATOM 1413 CA ASP C 44 7.505 -13.339 2.922 1.00 0.00 C ATOM 1414 C ASP C 44 7.508 -14.128 1.621 1.00 0.00 C ATOM 1415 O ASP C 44 7.328 -15.346 1.622 1.00 0.00 O ATOM 1416 CB ASP C 44 6.101 -12.787 3.185 1.00 0.00 C ATOM 1417 CG ASP C 44 5.100 -13.936 3.298 1.00 0.00 C ATOM 1418 OD1 ASP C 44 5.500 -15.068 3.081 1.00 0.00 O ATOM 1419 OD2 ASP C 44 3.952 -13.667 3.606 1.00 0.00 O ATOM 0 H ASP C 44 8.086 -11.326 3.069 1.00 0.00 H new ATOM 0 HA ASP C 44 7.789 -14.001 3.740 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.098 -12.200 4.103 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.808 -12.116 2.377 1.00 0.00 H new ATOM 1424 N ARG C 45 7.714 -13.430 0.515 1.00 0.00 N ATOM 1425 CA ARG C 45 7.737 -14.082 -0.788 1.00 0.00 C ATOM 1426 C ARG C 45 8.821 -15.159 -0.828 1.00 0.00 C ATOM 1427 O ARG C 45 8.601 -16.246 -1.361 1.00 0.00 O ATOM 1428 CB ARG C 45 7.999 -13.046 -1.886 1.00 0.00 C ATOM 1429 CG ARG C 45 7.931 -13.721 -3.259 1.00 0.00 C ATOM 1430 CD ARG C 45 8.162 -12.677 -4.355 1.00 0.00 C ATOM 1431 NE ARG C 45 7.936 -13.271 -5.670 1.00 0.00 N ATOM 1432 CZ ARG C 45 8.101 -12.560 -6.780 1.00 0.00 C ATOM 1433 NH1 ARG C 45 8.472 -11.312 -6.708 1.00 0.00 N ATOM 1434 NH2 ARG C 45 7.891 -13.113 -7.945 1.00 0.00 N ATOM 0 H ARG C 45 7.866 -12.422 0.491 1.00 0.00 H new ATOM 0 HA ARG C 45 6.768 -14.552 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG C 45 7.262 -12.245 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.978 -12.589 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.683 -14.507 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.960 -14.197 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG C 45 7.490 -11.831 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG C 45 9.179 -12.291 -4.292 1.00 0.00 H new ATOM 0 HE ARG C 45 7.647 -14.247 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG C 45 8.636 -10.880 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG C 45 8.598 -10.767 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG C 45 7.601 -14.089 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG C 45 8.017 -12.568 -8.798 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.245 12.422 2.832 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.019 12.043 3.525 1.00 0.00 C ATOM 1639 C VAL D 27 -5.332 11.147 4.720 1.00 0.00 C ATOM 1640 O VAL D 27 -4.689 10.117 4.920 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.282 13.298 4.001 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.057 12.898 4.825 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.830 14.115 2.787 1.00 0.00 C ATOM 0 HA VAL D 27 -4.386 11.491 2.831 1.00 0.00 H new ATOM 0 HB VAL D 27 -4.953 13.896 4.618 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.536 13.795 5.161 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.375 12.317 5.691 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.386 12.297 4.211 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.305 15.009 3.125 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.162 13.513 2.171 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.701 14.406 2.200 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.327 11.544 5.506 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.718 10.766 6.676 1.00 0.00 C ATOM 1655 C VAL D 28 -7.257 9.400 6.257 1.00 0.00 C ATOM 1656 O VAL D 28 -6.911 8.377 6.846 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.788 11.523 7.469 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.309 10.644 8.608 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.178 12.802 8.054 1.00 0.00 C ATOM 0 H VAL D 28 -6.873 12.392 5.356 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.839 10.617 7.303 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.613 11.779 6.805 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -9.070 11.188 9.168 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.744 9.734 8.195 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.485 10.384 9.273 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.938 13.342 8.619 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.351 12.542 8.715 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.810 13.433 7.245 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.113 9.397 5.240 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.700 8.154 4.755 1.00 0.00 C ATOM 1671 C ALA D 29 -7.618 7.204 4.257 1.00 0.00 C ATOM 1672 O ALA D 29 -7.634 6.016 4.573 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.679 8.447 3.616 1.00 0.00 C ATOM 0 H ALA D 29 -8.413 10.234 4.740 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.230 7.683 5.583 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.113 7.513 3.260 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.473 9.101 3.978 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.150 8.936 2.798 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.676 7.737 3.486 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.593 6.924 2.949 1.00 0.00 C ATOM 1681 C ALA D 30 -4.805 6.266 4.077 1.00 0.00 C ATOM 1682 O ALA D 30 -4.360 5.126 3.952 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.657 7.795 2.109 1.00 0.00 C ATOM 0 H ALA D 30 -6.641 8.721 3.221 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.025 6.144 2.322 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -3.849 7.181 1.710 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.215 8.240 1.285 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.239 8.585 2.732 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.645 6.990 5.178 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.915 6.465 6.325 1.00 0.00 C ATOM 1691 C ASN D 31 -4.632 5.249 6.905 1.00 0.00 C ATOM 1692 O ASN D 31 -3.996 4.281 7.318 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.778 7.544 7.400 1.00 0.00 C ATOM 1694 CG ASN D 31 -3.055 6.974 8.617 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -3.681 6.712 9.644 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -1.769 6.763 8.561 1.00 0.00 N ATOM 0 H ASN D 31 -5.008 7.935 5.301 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.922 6.162 5.992 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -3.226 8.396 7.004 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.763 7.909 7.689 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.279 6.380 9.370 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -1.253 6.981 7.709 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.959 5.309 6.931 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.754 4.208 7.466 1.00 0.00 C ATOM 1705 C ILE D 32 -6.523 2.943 6.643 1.00 0.00 C ATOM 1706 O ILE D 32 -6.401 1.852 7.194 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.242 4.570 7.463 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -8.489 5.698 8.471 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.071 3.344 7.863 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.917 6.230 8.319 1.00 0.00 C ATOM 0 H ILE D 32 -6.504 6.101 6.591 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.442 4.024 8.494 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.535 4.896 6.465 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -8.335 5.331 9.486 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.773 6.504 8.311 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.130 3.604 7.860 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.894 2.537 7.152 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.780 3.018 8.862 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -10.085 7.031 9.039 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -10.056 6.614 7.309 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.627 5.423 8.502 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.474 3.093 5.324 1.00 0.00 N ATOM 1723 CA ILE D 33 -6.265 1.947 4.443 1.00 0.00 C ATOM 1724 C ILE D 33 -4.917 1.284 4.735 1.00 0.00 C ATOM 1725 O ILE D 33 -4.827 0.059 4.777 1.00 0.00 O ATOM 1726 CB ILE D 33 -6.338 2.402 2.965 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -7.811 2.542 2.513 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -5.610 1.398 2.050 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -8.397 3.855 3.036 1.00 0.00 C ATOM 0 H ILE D 33 -6.575 3.987 4.844 1.00 0.00 H new ATOM 0 HA ILE D 33 -7.050 1.213 4.626 1.00 0.00 H new ATOM 0 HB ILE D 33 -5.847 3.372 2.887 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -7.870 2.516 1.425 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -8.395 1.700 2.884 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -5.673 1.736 1.016 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -4.563 1.329 2.346 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -6.078 0.418 2.140 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -9.434 3.945 2.713 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.354 3.864 4.125 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -7.821 4.693 2.643 1.00 0.00 H new ATOM 1741 N GLY D 34 -3.876 2.080 4.920 1.00 0.00 N ATOM 1742 CA GLY D 34 -2.559 1.515 5.185 1.00 0.00 C ATOM 1743 C GLY D 34 -2.585 0.598 6.407 1.00 0.00 C ATOM 1744 O GLY D 34 -2.204 -0.569 6.322 1.00 0.00 O ATOM 0 H GLY D 34 -3.912 3.099 4.893 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -2.219 0.955 4.314 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -1.841 2.319 5.346 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.037 1.132 7.539 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.104 0.347 8.769 1.00 0.00 C ATOM 1750 C ILE D 35 -4.199 -0.726 8.677 1.00 0.00 C ATOM 1751 O ILE D 35 -3.995 -1.867 9.092 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.359 1.277 9.974 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.052 1.981 10.370 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.869 0.468 11.179 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -1.580 2.888 9.230 1.00 0.00 C ATOM 0 H ILE D 35 -3.359 2.095 7.630 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.149 -0.159 8.908 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.110 2.013 9.688 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -2.206 2.570 11.274 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -1.285 1.241 10.598 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -4.044 1.139 12.020 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.801 -0.032 10.914 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -3.124 -0.277 11.458 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -0.653 3.383 9.519 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -1.408 2.289 8.336 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.343 3.638 9.023 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.361 -0.345 8.156 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.483 -1.277 8.045 1.00 0.00 C ATOM 1769 C LEU D 36 -6.118 -2.460 7.157 1.00 0.00 C ATOM 1770 O LEU D 36 -6.380 -3.612 7.503 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.697 -0.549 7.456 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.907 -1.493 7.355 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.305 -2.003 8.752 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.080 -0.731 6.730 1.00 0.00 C ATOM 0 H LEU D 36 -5.552 0.594 7.806 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.723 -1.652 9.040 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -7.950 0.308 8.080 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.449 -0.161 6.468 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.646 -2.350 6.734 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -10.163 -2.670 8.665 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.468 -2.544 9.194 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.566 -1.157 9.387 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.944 -1.392 6.654 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.332 0.125 7.355 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -9.800 -0.384 5.735 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.504 -2.171 6.018 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.105 -3.224 5.096 1.00 0.00 C ATOM 1788 C HIS D 37 -4.124 -4.168 5.774 1.00 0.00 C ATOM 1789 O HIS D 37 -4.192 -5.384 5.593 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.459 -2.627 3.845 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.084 -3.746 2.912 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.653 -3.895 1.660 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.215 -4.796 3.053 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.124 -5.003 1.105 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.240 -5.587 1.913 1.00 0.00 N ATOM 0 H HIS D 37 -5.273 -1.226 5.713 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.996 -3.778 4.802 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.150 -1.942 3.354 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.575 -2.049 4.116 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.602 -4.981 3.922 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.385 -5.373 0.124 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.699 -6.433 1.733 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.206 -3.602 6.549 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.205 -4.406 7.237 1.00 0.00 C ATOM 1805 C LEU D 38 -2.859 -5.391 8.194 1.00 0.00 C ATOM 1806 O LEU D 38 -2.405 -6.523 8.312 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.220 -3.502 8.009 1.00 0.00 C ATOM 1808 CG LEU D 38 -0.042 -3.081 7.110 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.699 -1.909 7.766 1.00 0.00 C ATOM 1810 CD2 LEU D 38 0.938 -4.258 6.919 1.00 0.00 C ATOM 0 H LEU D 38 -3.135 -2.598 6.715 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.655 -4.969 6.483 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.741 -2.616 8.372 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.844 -4.031 8.884 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.430 -2.783 6.136 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.534 -1.607 7.134 1.00 0.00 H new ATOM 0 HD12 LEU D 38 0.015 -1.069 7.889 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.075 -2.217 8.742 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.764 -3.944 6.281 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.326 -4.569 7.889 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.417 -5.093 6.452 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.902 -4.964 8.886 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.564 -5.848 9.835 1.00 0.00 C ATOM 1824 C ILE D 39 -5.144 -7.058 9.106 1.00 0.00 C ATOM 1825 O ILE D 39 -5.006 -8.193 9.557 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.678 -5.088 10.561 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -5.057 -3.984 11.423 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.448 -6.050 11.469 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.153 -3.041 11.928 1.00 0.00 C ATOM 0 H ILE D 39 -4.304 -4.029 8.813 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.835 -6.195 10.567 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.356 -4.653 9.827 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.526 -4.424 12.267 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.323 -3.425 10.842 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.240 -5.508 11.985 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.886 -6.846 10.867 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.767 -6.482 12.202 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.706 -2.258 12.540 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.664 -2.589 11.078 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.870 -3.604 12.526 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.794 -6.816 7.974 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.372 -7.909 7.201 1.00 0.00 C ATOM 1843 C LEU D 40 -5.281 -8.748 6.522 1.00 0.00 C ATOM 1844 O LEU D 40 -5.354 -9.976 6.506 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.343 -7.350 6.150 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.722 -7.079 6.784 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.426 -8.403 7.154 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.542 -6.215 8.041 1.00 0.00 C ATOM 0 H LEU D 40 -5.933 -5.888 7.575 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.917 -8.559 7.885 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.942 -6.428 5.729 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.446 -8.058 5.328 1.00 0.00 H new ATOM 0 HG LEU D 40 -9.344 -6.552 6.060 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.397 -8.187 7.600 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -9.565 -9.005 6.256 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -8.814 -8.953 7.868 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.515 -6.021 8.492 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -7.909 -6.740 8.756 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.074 -5.269 7.768 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.284 -8.076 5.949 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.202 -8.772 5.254 1.00 0.00 C ATOM 1862 C TRP D 41 -2.302 -9.539 6.222 1.00 0.00 C ATOM 1863 O TRP D 41 -1.954 -10.694 5.968 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.383 -7.765 4.434 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.154 -8.419 3.873 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.106 -9.147 2.731 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.212 -8.366 4.377 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.194 -9.580 2.533 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.042 -9.119 3.515 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.804 -7.757 5.497 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.406 -9.256 3.753 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.182 -7.888 5.732 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.979 -8.637 4.861 1.00 0.00 C ATOM 0 H TRP D 41 -4.203 -7.059 5.952 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.648 -9.507 4.584 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.992 -7.367 3.623 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.098 -6.921 5.063 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.944 -9.355 2.082 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.488 -10.169 1.754 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.195 -7.185 6.181 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.018 -9.840 3.081 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.629 -7.408 6.590 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.038 -8.735 5.047 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.917 -8.901 7.319 1.00 0.00 N ATOM 1885 CA ILE D 42 -1.045 -9.554 8.286 1.00 0.00 C ATOM 1886 C ILE D 42 -1.747 -10.765 8.896 1.00 0.00 C ATOM 1887 O ILE D 42 -1.150 -11.832 9.033 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.639 -8.561 9.390 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.552 -9.115 10.180 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.810 -8.322 10.350 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.092 -8.029 11.115 1.00 0.00 C ATOM 0 H ILE D 42 -2.189 -7.948 7.559 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.145 -9.894 7.773 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.361 -7.618 8.919 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.246 -9.988 10.757 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.335 -9.444 9.496 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.507 -7.618 11.125 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.656 -7.912 9.798 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -2.101 -9.266 10.811 1.00 0.00 H new ATOM 0 HD11 ILE D 42 1.939 -8.421 11.678 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.414 -7.170 10.527 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.308 -7.722 11.807 1.00 0.00 H new ATOM 1903 N LEU D 43 -3.018 -10.595 9.248 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.791 -11.685 9.828 1.00 0.00 C ATOM 1905 C LEU D 43 -3.981 -12.812 8.820 1.00 0.00 C ATOM 1906 O LEU D 43 -3.862 -13.985 9.163 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.157 -11.176 10.300 1.00 0.00 C ATOM 1908 CG LEU D 43 -4.985 -10.280 11.538 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.314 -9.581 11.841 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -4.544 -11.118 12.761 1.00 0.00 C ATOM 0 H LEU D 43 -3.530 -9.719 9.142 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.238 -12.073 10.684 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.642 -10.616 9.500 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.806 -12.019 10.538 1.00 0.00 H new ATOM 0 HG LEU D 43 -4.213 -9.538 11.334 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.198 -8.944 12.718 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.608 -8.972 10.986 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -7.083 -10.329 12.035 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -4.428 -10.466 13.626 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -5.299 -11.874 12.975 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -3.594 -11.606 12.544 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.272 -12.443 7.574 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.482 -13.436 6.523 1.00 0.00 C ATOM 1924 C ASP D 44 -3.292 -14.381 6.446 1.00 0.00 C ATOM 1925 O ASP D 44 -3.446 -15.570 6.167 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.674 -12.743 5.171 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.936 -13.781 4.083 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -4.864 -14.961 4.387 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.209 -13.381 2.963 1.00 0.00 O ATOM 0 H ASP D 44 -4.367 -11.474 7.270 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.378 -14.008 6.763 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -5.509 -12.044 5.227 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.787 -12.160 4.923 1.00 0.00 H new ATOM 1934 N ARG D 45 -2.105 -13.848 6.695 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.896 -14.659 6.649 1.00 0.00 C ATOM 1936 C ARG D 45 -0.990 -15.818 7.639 1.00 0.00 C ATOM 1937 O ARG D 45 -0.598 -16.942 7.325 1.00 0.00 O ATOM 1938 CB ARG D 45 0.325 -13.795 6.980 1.00 0.00 C ATOM 1939 CG ARG D 45 1.602 -14.631 6.839 1.00 0.00 C ATOM 1940 CD ARG D 45 2.821 -13.755 7.140 1.00 0.00 C ATOM 1941 NE ARG D 45 4.049 -14.489 6.852 1.00 0.00 N ATOM 1942 CZ ARG D 45 5.244 -13.941 7.060 1.00 0.00 C ATOM 1943 NH1 ARG D 45 5.331 -12.728 7.532 1.00 0.00 N ATOM 1944 NH2 ARG D 45 6.327 -14.617 6.792 1.00 0.00 N ATOM 0 H ARG D 45 -1.953 -12.867 6.929 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.790 -15.065 5.643 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.366 -12.935 6.312 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.243 -13.406 7.995 1.00 0.00 H new ATOM 0 HG2 ARG D 45 1.572 -15.479 7.524 1.00 0.00 H new ATOM 0 HG3 ARG D 45 1.673 -15.038 5.830 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.782 -12.846 6.540 1.00 0.00 H new ATOM 0 HD3 ARG D 45 2.808 -13.448 8.186 1.00 0.00 H new ATOM 0 HE ARG D 45 3.990 -15.439 6.485 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.484 -12.200 7.741 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.246 -12.307 7.692 1.00 0.00 H new ATOM 0 HH21 ARG D 45 6.258 -15.565 6.423 1.00 0.00 H new ATOM 0 HH22 ARG D 45 7.243 -14.197 6.951 1.00 0.00 H new