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= -1.62 X(o=-1.6,f=-1.5) USER MOD Single : A 37 HIS : no HD1:sc= -8.81! C(o=-8.8!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.5) USER MOD Single : B 37 HIS : no HD1:sc= -9.08! C(o=-9.1!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.5) USER MOD Single : C 37 HIS : no HD1:sc= -8.23! C(o=-8.2!,f=-10!) USER MOD Single : D 31 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : D 37 HIS : no HD1:sc= -8.82! C(o=-8.8!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.686 12.952 -5.571 1.00 0.00 N ATOM 108 CA VAL A 27 -1.297 12.399 -4.364 1.00 0.00 C ATOM 109 C VAL A 27 -2.581 11.650 -4.709 1.00 0.00 C ATOM 110 O VAL A 27 -2.833 10.555 -4.205 1.00 0.00 O ATOM 111 CB VAL A 27 -1.605 13.521 -3.366 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.358 12.950 -2.163 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.295 14.154 -2.887 1.00 0.00 C ATOM 0 HA VAL A 27 -0.593 11.700 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.220 14.276 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.575 13.751 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.292 12.499 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.744 12.192 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.515 14.952 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.319 13.396 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.244 14.566 -3.741 1.00 0.00 H new ATOM 123 N VAL A 28 -3.389 12.256 -5.573 1.00 0.00 N ATOM 124 CA VAL A 28 -4.649 11.649 -5.985 1.00 0.00 C ATOM 125 C VAL A 28 -4.397 10.342 -6.727 1.00 0.00 C ATOM 126 O VAL A 28 -5.073 9.342 -6.489 1.00 0.00 O ATOM 127 CB VAL A 28 -5.421 12.617 -6.886 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.674 11.927 -7.431 1.00 0.00 C ATOM 129 CG2 VAL A 28 -5.832 13.849 -6.074 1.00 0.00 C ATOM 0 H VAL A 28 -3.195 13.162 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.239 11.435 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.785 12.921 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.221 12.619 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.384 11.049 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.311 11.621 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.382 14.540 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.466 13.542 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.941 14.344 -5.687 1.00 0.00 H new ATOM 139 N ALA A 29 -3.419 10.357 -7.627 1.00 0.00 N ATOM 140 CA ALA A 29 -3.090 9.167 -8.402 1.00 0.00 C ATOM 141 C ALA A 29 -2.757 8.001 -7.476 1.00 0.00 C ATOM 142 O ALA A 29 -3.287 6.904 -7.634 1.00 0.00 O ATOM 143 CB ALA A 29 -1.894 9.455 -9.318 1.00 0.00 C ATOM 0 H ALA A 29 -2.845 11.173 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.955 8.898 -9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.654 8.562 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.144 10.269 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.033 9.739 -8.713 1.00 0.00 H new ATOM 149 N ALA A 30 -1.881 8.246 -6.510 1.00 0.00 N ATOM 150 CA ALA A 30 -1.495 7.198 -5.575 1.00 0.00 C ATOM 151 C ALA A 30 -2.698 6.743 -4.754 1.00 0.00 C ATOM 152 O ALA A 30 -2.857 5.553 -4.482 1.00 0.00 O ATOM 153 CB ALA A 30 -0.400 7.712 -4.638 1.00 0.00 C ATOM 0 H ALA A 30 -1.430 9.148 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.116 6.349 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.117 6.923 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.470 8.009 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.772 8.571 -4.080 1.00 0.00 H new ATOM 159 N ASN A 31 -3.535 7.696 -4.357 1.00 0.00 N ATOM 160 CA ASN A 31 -4.714 7.374 -3.562 1.00 0.00 C ATOM 161 C ASN A 31 -5.681 6.493 -4.355 1.00 0.00 C ATOM 162 O ASN A 31 -6.201 5.509 -3.832 1.00 0.00 O ATOM 163 CB ASN A 31 -5.424 8.669 -3.148 1.00 0.00 C ATOM 164 CG ASN A 31 -4.652 9.363 -2.029 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.575 10.590 -1.999 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.081 8.650 -1.097 1.00 0.00 N ATOM 0 H ASN A 31 -3.421 8.687 -4.570 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.394 6.827 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.510 9.335 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.438 8.445 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.571 9.110 -0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.145 7.632 -1.122 1.00 0.00 H new ATOM 173 N ILE A 32 -5.909 6.845 -5.616 1.00 0.00 N ATOM 174 CA ILE A 32 -6.817 6.075 -6.466 1.00 0.00 C ATOM 175 C ILE A 32 -6.284 4.663 -6.676 1.00 0.00 C ATOM 176 O ILE A 32 -7.035 3.689 -6.622 1.00 0.00 O ATOM 177 CB ILE A 32 -7.001 6.775 -7.816 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.761 8.087 -7.604 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.801 5.874 -8.761 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.721 8.919 -8.886 1.00 0.00 C ATOM 0 H ILE A 32 -5.482 7.652 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.784 6.010 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.024 6.980 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.794 7.879 -7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.316 8.647 -6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.930 6.376 -9.720 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.265 4.937 -8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.779 5.667 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.263 9.852 -8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.685 9.139 -9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.186 8.359 -9.698 1.00 0.00 H new ATOM 192 N ILE A 33 -4.985 4.563 -6.918 1.00 0.00 N ATOM 193 CA ILE A 33 -4.349 3.272 -7.134 1.00 0.00 C ATOM 194 C ILE A 33 -4.486 2.392 -5.891 1.00 0.00 C ATOM 195 O ILE A 33 -4.764 1.199 -5.999 1.00 0.00 O ATOM 196 CB ILE A 33 -2.873 3.481 -7.480 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.765 4.125 -8.864 1.00 0.00 C ATOM 198 CG2 ILE A 33 -2.151 2.137 -7.490 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.328 4.595 -9.099 1.00 0.00 C ATOM 0 H ILE A 33 -4.351 5.360 -6.970 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.843 2.766 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.415 4.131 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.055 3.409 -9.633 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.451 4.969 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.100 2.290 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.229 1.675 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.607 1.484 -8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.252 5.054 -10.085 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.055 5.325 -8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.652 3.742 -9.043 1.00 0.00 H new ATOM 211 N GLY A 34 -4.283 2.982 -4.719 1.00 0.00 N ATOM 212 CA GLY A 34 -4.384 2.224 -3.478 1.00 0.00 C ATOM 213 C GLY A 34 -5.741 1.528 -3.374 1.00 0.00 C ATOM 214 O GLY A 34 -5.816 0.356 -3.006 1.00 0.00 O ATOM 0 H GLY A 34 -4.051 3.968 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.586 1.483 -3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.247 2.891 -2.627 1.00 0.00 H new ATOM 218 N ILE A 35 -6.808 2.250 -3.702 1.00 0.00 N ATOM 219 CA ILE A 35 -8.150 1.673 -3.640 1.00 0.00 C ATOM 220 C ILE A 35 -8.312 0.572 -4.687 1.00 0.00 C ATOM 221 O ILE A 35 -8.886 -0.479 -4.408 1.00 0.00 O ATOM 222 CB ILE A 35 -9.214 2.751 -3.870 1.00 0.00 C ATOM 223 CG1 ILE A 35 -9.014 3.917 -2.890 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.606 2.149 -3.668 1.00 0.00 C ATOM 225 CD1 ILE A 35 -8.984 3.416 -1.440 1.00 0.00 C ATOM 0 H ILE A 35 -6.774 3.222 -4.009 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.283 1.245 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.120 3.126 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.082 4.434 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.819 4.642 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.362 2.917 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.757 1.335 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.693 1.766 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.841 4.261 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.927 2.921 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.163 2.710 -1.316 1.00 0.00 H new ATOM 237 N LEU A 36 -7.819 0.826 -5.897 1.00 0.00 N ATOM 238 CA LEU A 36 -7.934 -0.152 -6.976 1.00 0.00 C ATOM 239 C LEU A 36 -7.203 -1.441 -6.610 1.00 0.00 C ATOM 240 O LEU A 36 -7.711 -2.539 -6.837 1.00 0.00 O ATOM 241 CB LEU A 36 -7.340 0.425 -8.265 1.00 0.00 C ATOM 242 CG LEU A 36 -8.210 1.585 -8.777 1.00 0.00 C ATOM 243 CD1 LEU A 36 -7.476 2.300 -9.917 1.00 0.00 C ATOM 244 CD2 LEU A 36 -9.572 1.062 -9.282 1.00 0.00 C ATOM 0 H LEU A 36 -7.341 1.690 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.989 -0.377 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.325 0.776 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.275 -0.354 -9.025 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.390 2.281 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.088 3.124 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.526 2.689 -9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.291 1.596 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.173 1.898 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.411 0.356 -10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.095 0.562 -8.467 1.00 0.00 H new ATOM 256 N HIS A 37 -6.015 -1.301 -6.032 1.00 0.00 N ATOM 257 CA HIS A 37 -5.237 -2.466 -5.629 1.00 0.00 C ATOM 258 C HIS A 37 -5.990 -3.288 -4.597 1.00 0.00 C ATOM 259 O HIS A 37 -6.004 -4.517 -4.658 1.00 0.00 O ATOM 260 CB HIS A 37 -3.898 -2.027 -5.035 1.00 0.00 C ATOM 261 CG HIS A 37 -3.118 -3.248 -4.633 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.915 -3.592 -5.224 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.366 -4.221 -3.698 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.491 -4.729 -4.642 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.340 -5.154 -3.705 1.00 0.00 N ATOM 0 H HIS A 37 -5.574 -0.403 -5.834 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.065 -3.077 -6.515 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.336 -1.444 -5.764 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.062 -1.383 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.231 -4.255 -3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.574 -5.236 -4.902 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.253 -5.985 -3.120 1.00 0.00 H new ATOM 273 N LEU A 38 -6.592 -2.603 -3.641 1.00 0.00 N ATOM 274 CA LEU A 38 -7.322 -3.281 -2.581 1.00 0.00 C ATOM 275 C LEU A 38 -8.462 -4.115 -3.158 1.00 0.00 C ATOM 276 O LEU A 38 -8.731 -5.215 -2.681 1.00 0.00 O ATOM 277 CB LEU A 38 -7.861 -2.240 -1.567 1.00 0.00 C ATOM 278 CG LEU A 38 -7.103 -2.341 -0.231 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.376 -1.096 0.605 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.566 -3.581 0.548 1.00 0.00 C ATOM 0 H LEU A 38 -6.591 -1.585 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.643 -3.958 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.754 -1.236 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.926 -2.404 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.036 -2.423 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.839 -1.168 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.039 -0.213 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.445 -1.016 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.023 -3.642 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.635 -3.506 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.369 -4.476 -0.042 1.00 0.00 H new ATOM 292 N ILE A 39 -9.135 -3.593 -4.168 1.00 0.00 N ATOM 293 CA ILE A 39 -10.243 -4.322 -4.761 1.00 0.00 C ATOM 294 C ILE A 39 -9.752 -5.642 -5.350 1.00 0.00 C ATOM 295 O ILE A 39 -10.367 -6.686 -5.150 1.00 0.00 O ATOM 296 CB ILE A 39 -10.890 -3.468 -5.857 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.572 -2.254 -5.217 1.00 0.00 C ATOM 298 CG2 ILE A 39 -11.933 -4.298 -6.615 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.997 -1.258 -6.302 1.00 0.00 C ATOM 0 H ILE A 39 -8.940 -2.685 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.981 -4.539 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.122 -3.133 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.443 -2.575 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.891 -1.772 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.390 -3.686 -7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.449 -5.162 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.703 -4.637 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.481 -0.399 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.118 -0.925 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.694 -1.741 -6.986 1.00 0.00 H new ATOM 311 N LEU A 40 -8.641 -5.595 -6.071 1.00 0.00 N ATOM 312 CA LEU A 40 -8.091 -6.804 -6.674 1.00 0.00 C ATOM 313 C LEU A 40 -7.574 -7.778 -5.608 1.00 0.00 C ATOM 314 O LEU A 40 -7.806 -8.984 -5.693 1.00 0.00 O ATOM 315 CB LEU A 40 -6.953 -6.425 -7.628 1.00 0.00 C ATOM 316 CG LEU A 40 -7.515 -5.655 -8.838 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.358 -5.022 -9.620 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.308 -6.599 -9.766 1.00 0.00 C ATOM 0 H LEU A 40 -8.107 -4.745 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.888 -7.304 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.218 -5.812 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.436 -7.323 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.188 -4.878 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.753 -4.477 -10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.814 -4.335 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.683 -5.804 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.696 -6.034 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.651 -7.391 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.138 -7.040 -9.214 1.00 0.00 H new ATOM 330 N TRP A 41 -6.871 -7.247 -4.610 1.00 0.00 N ATOM 331 CA TRP A 41 -6.319 -8.075 -3.535 1.00 0.00 C ATOM 332 C TRP A 41 -7.427 -8.650 -2.651 1.00 0.00 C ATOM 333 O TRP A 41 -7.339 -9.792 -2.197 1.00 0.00 O ATOM 334 CB TRP A 41 -5.330 -7.252 -2.703 1.00 0.00 C ATOM 335 CG TRP A 41 -4.788 -8.069 -1.567 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.726 -8.909 -1.636 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.241 -8.104 -0.186 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.511 -9.462 -0.387 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.420 -8.994 0.539 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.277 -7.450 0.497 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.623 -9.226 1.895 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.479 -7.679 1.866 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.655 -8.565 2.561 1.00 0.00 C ATOM 0 H TRP A 41 -6.669 -6.251 -4.521 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.791 -8.917 -3.983 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.511 -6.910 -3.335 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.825 -6.362 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.143 -9.113 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.772 -10.133 -0.177 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.923 -6.766 -0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.985 -9.914 2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.276 -7.167 2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.816 -8.739 3.615 1.00 0.00 H new ATOM 354 N ILE A 42 -8.466 -7.853 -2.405 1.00 0.00 N ATOM 355 CA ILE A 42 -9.572 -8.305 -1.565 1.00 0.00 C ATOM 356 C ILE A 42 -10.215 -9.548 -2.185 1.00 0.00 C ATOM 357 O ILE A 42 -10.463 -10.535 -1.495 1.00 0.00 O ATOM 358 CB ILE A 42 -10.616 -7.170 -1.431 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.127 -6.115 -0.412 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.978 -7.730 -0.986 1.00 0.00 C ATOM 361 CD1 ILE A 42 -10.473 -6.529 1.029 1.00 0.00 C ATOM 0 H ILE A 42 -8.564 -6.905 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.198 -8.561 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.735 -6.700 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.049 -5.987 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.584 -5.151 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.696 -6.914 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.334 -8.449 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.870 -8.224 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.116 -5.767 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.554 -6.633 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.995 -7.481 1.259 1.00 0.00 H new ATOM 373 N LEU A 43 -10.463 -9.497 -3.489 1.00 0.00 N ATOM 374 CA LEU A 43 -11.056 -10.635 -4.184 1.00 0.00 C ATOM 375 C LEU A 43 -10.114 -11.839 -4.135 1.00 0.00 C ATOM 376 O LEU A 43 -10.561 -12.977 -3.991 1.00 0.00 O ATOM 377 CB LEU A 43 -11.374 -10.262 -5.648 1.00 0.00 C ATOM 378 CG LEU A 43 -12.804 -9.691 -5.774 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.854 -10.814 -5.596 1.00 0.00 C ATOM 380 CD2 LEU A 43 -13.029 -8.590 -4.720 1.00 0.00 C ATOM 0 H LEU A 43 -10.266 -8.690 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.986 -10.902 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.652 -9.528 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.273 -11.143 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.918 -9.261 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.855 -10.394 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.708 -11.574 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.739 -11.266 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.040 -8.194 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.898 -9.009 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.308 -7.787 -4.874 1.00 0.00 H new ATOM 392 N ASP A 44 -8.813 -11.588 -4.260 1.00 0.00 N ATOM 393 CA ASP A 44 -7.839 -12.674 -4.232 1.00 0.00 C ATOM 394 C ASP A 44 -8.088 -13.562 -3.019 1.00 0.00 C ATOM 395 O ASP A 44 -8.099 -14.788 -3.126 1.00 0.00 O ATOM 396 CB ASP A 44 -6.417 -12.108 -4.169 1.00 0.00 C ATOM 397 CG ASP A 44 -5.397 -13.224 -4.364 1.00 0.00 C ATOM 398 OD1 ASP A 44 -5.805 -14.374 -4.401 1.00 0.00 O ATOM 399 OD2 ASP A 44 -4.222 -12.915 -4.471 1.00 0.00 O ATOM 0 H ASP A 44 -8.414 -10.657 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.947 -13.265 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.286 -11.347 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.254 -11.620 -3.208 1.00 0.00 H new ATOM 404 N ARG A 45 -8.304 -12.933 -1.870 1.00 0.00 N ATOM 405 CA ARG A 45 -8.571 -13.677 -0.644 1.00 0.00 C ATOM 406 C ARG A 45 -9.865 -14.476 -0.765 1.00 0.00 C ATOM 407 O ARG A 45 -9.968 -15.590 -0.252 1.00 0.00 O ATOM 408 CB ARG A 45 -8.666 -12.726 0.552 1.00 0.00 C ATOM 409 CG ARG A 45 -8.918 -13.541 1.825 1.00 0.00 C ATOM 410 CD ARG A 45 -8.806 -12.639 3.055 1.00 0.00 C ATOM 411 NE ARG A 45 -7.425 -12.211 3.238 1.00 0.00 N ATOM 412 CZ ARG A 45 -7.077 -11.433 4.256 1.00 0.00 C ATOM 413 NH1 ARG A 45 -7.977 -11.048 5.120 1.00 0.00 N ATOM 414 NH2 ARG A 45 -5.835 -11.059 4.395 1.00 0.00 N ATOM 0 H ARG A 45 -8.300 -11.919 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.743 -14.368 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.744 -12.152 0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.473 -12.009 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.908 -13.995 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.197 -14.355 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.452 -11.769 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.150 -13.174 3.940 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.714 -12.514 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.947 -11.345 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.710 -10.450 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.132 -11.364 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.567 -10.461 5.177 1.00 0.00 H new ATOM 617 N VAL B 27 7.094 12.217 0.505 1.00 0.00 N ATOM 618 CA VAL B 27 5.827 11.866 -0.135 1.00 0.00 C ATOM 619 C VAL B 27 6.078 11.208 -1.487 1.00 0.00 C ATOM 620 O VAL B 27 5.448 10.207 -1.832 1.00 0.00 O ATOM 621 CB VAL B 27 4.964 13.119 -0.320 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.698 12.766 -1.104 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.569 13.677 1.050 1.00 0.00 C ATOM 0 HA VAL B 27 5.300 11.161 0.507 1.00 0.00 H new ATOM 0 HB VAL B 27 5.535 13.867 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.088 13.660 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.974 12.371 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.129 12.015 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.955 14.568 0.917 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.003 12.925 1.600 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.467 13.936 1.610 1.00 0.00 H new ATOM 633 N VAL B 28 7.001 11.784 -2.251 1.00 0.00 N ATOM 634 CA VAL B 28 7.333 11.257 -3.568 1.00 0.00 C ATOM 635 C VAL B 28 7.920 9.854 -3.450 1.00 0.00 C ATOM 636 O VAL B 28 7.567 8.956 -4.212 1.00 0.00 O ATOM 637 CB VAL B 28 8.336 12.184 -4.261 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.793 11.557 -5.581 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.670 13.534 -4.539 1.00 0.00 C ATOM 0 H VAL B 28 7.530 12.613 -1.981 1.00 0.00 H new ATOM 0 HA VAL B 28 6.421 11.204 -4.162 1.00 0.00 H new ATOM 0 HB VAL B 28 9.201 12.329 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.506 12.220 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.268 10.596 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.931 11.408 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.382 14.196 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.804 13.386 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.349 13.982 -3.599 1.00 0.00 H new ATOM 649 N ALA B 29 8.823 9.674 -2.491 1.00 0.00 N ATOM 650 CA ALA B 29 9.457 8.377 -2.286 1.00 0.00 C ATOM 651 C ALA B 29 8.405 7.299 -2.050 1.00 0.00 C ATOM 652 O ALA B 29 8.434 6.246 -2.681 1.00 0.00 O ATOM 653 CB ALA B 29 10.406 8.443 -1.084 1.00 0.00 C ATOM 0 H ALA B 29 9.130 10.404 -1.848 1.00 0.00 H new ATOM 0 HA ALA B 29 10.024 8.124 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.876 7.470 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA B 29 11.175 9.193 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.843 8.712 -0.190 1.00 0.00 H new ATOM 659 N ALA B 30 7.478 7.568 -1.139 1.00 0.00 N ATOM 660 CA ALA B 30 6.428 6.603 -0.838 1.00 0.00 C ATOM 661 C ALA B 30 5.555 6.360 -2.063 1.00 0.00 C ATOM 662 O ALA B 30 5.146 5.230 -2.330 1.00 0.00 O ATOM 663 CB ALA B 30 5.562 7.115 0.314 1.00 0.00 C ATOM 0 H ALA B 30 7.431 8.434 -0.602 1.00 0.00 H new ATOM 0 HA ALA B 30 6.898 5.663 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.780 6.388 0.532 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.182 7.258 1.199 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.106 8.064 0.033 1.00 0.00 H new ATOM 669 N ASN B 31 5.266 7.427 -2.803 1.00 0.00 N ATOM 670 CA ASN B 31 4.433 7.312 -3.993 1.00 0.00 C ATOM 671 C ASN B 31 5.113 6.441 -5.049 1.00 0.00 C ATOM 672 O ASN B 31 4.478 5.578 -5.652 1.00 0.00 O ATOM 673 CB ASN B 31 4.168 8.706 -4.573 1.00 0.00 C ATOM 674 CG ASN B 31 3.139 9.447 -3.723 1.00 0.00 C ATOM 675 OD1 ASN B 31 3.252 10.659 -3.533 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.134 8.797 -3.202 1.00 0.00 N ATOM 0 H ASN B 31 5.593 8.372 -2.601 1.00 0.00 H new ATOM 0 HA ASN B 31 3.490 6.844 -3.711 1.00 0.00 H new ATOM 0 HB2 ASN B 31 5.097 9.275 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.808 8.618 -5.598 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.443 9.293 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN B 31 2.039 7.794 -3.359 1.00 0.00 H new ATOM 683 N ILE B 32 6.406 6.665 -5.264 1.00 0.00 N ATOM 684 CA ILE B 32 7.156 5.894 -6.254 1.00 0.00 C ATOM 685 C ILE B 32 7.206 4.422 -5.859 1.00 0.00 C ATOM 686 O ILE B 32 7.034 3.536 -6.697 1.00 0.00 O ATOM 687 CB ILE B 32 8.578 6.449 -6.393 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.514 7.841 -7.025 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.409 5.524 -7.291 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.883 8.514 -6.928 1.00 0.00 C ATOM 0 H ILE B 32 6.955 7.369 -4.770 1.00 0.00 H new ATOM 0 HA ILE B 32 6.648 5.980 -7.214 1.00 0.00 H new ATOM 0 HB ILE B 32 9.042 6.509 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE B 32 8.209 7.763 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.763 8.447 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.419 5.922 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.452 4.529 -6.848 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.948 5.463 -8.277 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.834 9.505 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE B 32 10.170 8.606 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.623 7.912 -7.455 1.00 0.00 H new ATOM 702 N ILE B 33 7.438 4.172 -4.580 1.00 0.00 N ATOM 703 CA ILE B 33 7.506 2.809 -4.071 1.00 0.00 C ATOM 704 C ILE B 33 6.172 2.096 -4.269 1.00 0.00 C ATOM 705 O ILE B 33 6.137 0.929 -4.661 1.00 0.00 O ATOM 706 CB ILE B 33 7.883 2.836 -2.588 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.334 3.305 -2.443 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.741 1.438 -1.994 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.628 3.609 -0.975 1.00 0.00 C ATOM 0 H ILE B 33 7.583 4.894 -3.874 1.00 0.00 H new ATOM 0 HA ILE B 33 8.268 2.260 -4.624 1.00 0.00 H new ATOM 0 HB ILE B 33 7.220 3.521 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE B 33 10.014 2.536 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.502 4.194 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.010 1.462 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.709 1.102 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.402 0.750 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.661 3.943 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.957 4.393 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.477 2.709 -0.380 1.00 0.00 H new ATOM 721 N GLY B 34 5.077 2.795 -3.992 1.00 0.00 N ATOM 722 CA GLY B 34 3.755 2.197 -4.146 1.00 0.00 C ATOM 723 C GLY B 34 3.564 1.651 -5.558 1.00 0.00 C ATOM 724 O GLY B 34 3.062 0.542 -5.738 1.00 0.00 O ATOM 0 H GLY B 34 5.076 3.761 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.629 1.393 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.988 2.942 -3.933 1.00 0.00 H new ATOM 728 N ILE B 35 3.970 2.430 -6.558 1.00 0.00 N ATOM 729 CA ILE B 35 3.835 1.992 -7.947 1.00 0.00 C ATOM 730 C ILE B 35 4.746 0.799 -8.230 1.00 0.00 C ATOM 731 O ILE B 35 4.343 -0.155 -8.895 1.00 0.00 O ATOM 732 CB ILE B 35 4.184 3.131 -8.909 1.00 0.00 C ATOM 733 CG1 ILE B 35 3.349 4.380 -8.584 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.903 2.691 -10.347 1.00 0.00 C ATOM 735 CD1 ILE B 35 1.853 4.050 -8.564 1.00 0.00 C ATOM 0 H ILE B 35 4.388 3.352 -6.438 1.00 0.00 H new ATOM 0 HA ILE B 35 2.798 1.695 -8.101 1.00 0.00 H new ATOM 0 HB ILE B 35 5.241 3.373 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE B 35 3.650 4.781 -7.616 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.544 5.155 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.152 3.502 -11.031 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.509 1.817 -10.585 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.847 2.440 -10.451 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.285 4.951 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE B 35 1.551 3.672 -9.541 1.00 0.00 H new ATOM 0 HD13 ILE B 35 1.658 3.292 -7.805 1.00 0.00 H new ATOM 747 N LEU B 36 5.979 0.863 -7.734 1.00 0.00 N ATOM 748 CA LEU B 36 6.937 -0.216 -7.957 1.00 0.00 C ATOM 749 C LEU B 36 6.428 -1.519 -7.345 1.00 0.00 C ATOM 750 O LEU B 36 6.524 -2.581 -7.958 1.00 0.00 O ATOM 751 CB LEU B 36 8.287 0.150 -7.332 1.00 0.00 C ATOM 752 CG LEU B 36 8.926 1.321 -8.098 1.00 0.00 C ATOM 753 CD1 LEU B 36 10.144 1.829 -7.318 1.00 0.00 C ATOM 754 CD2 LEU B 36 9.361 0.875 -9.510 1.00 0.00 C ATOM 0 H LEU B 36 6.336 1.642 -7.181 1.00 0.00 H new ATOM 0 HA LEU B 36 7.058 -0.355 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.150 0.422 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU B 36 8.952 -0.714 -7.352 1.00 0.00 H new ATOM 0 HG LEU B 36 8.191 2.120 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU B 36 10.601 2.659 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU B 36 9.829 2.167 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU B 36 10.870 1.023 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU B 36 9.810 1.718 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.089 0.068 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU B 36 8.491 0.524 -10.065 1.00 0.00 H new ATOM 766 N HIS B 37 5.877 -1.429 -6.141 1.00 0.00 N ATOM 767 CA HIS B 37 5.347 -2.607 -5.466 1.00 0.00 C ATOM 768 C HIS B 37 4.224 -3.231 -6.277 1.00 0.00 C ATOM 769 O HIS B 37 4.142 -4.451 -6.409 1.00 0.00 O ATOM 770 CB HIS B 37 4.814 -2.232 -4.085 1.00 0.00 C ATOM 771 CG HIS B 37 4.276 -3.466 -3.414 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.824 -3.985 -2.255 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.235 -4.300 -3.739 1.00 0.00 C ATOM 774 CE1 HIS B 37 4.115 -5.082 -1.931 1.00 0.00 C ATOM 775 NE2 HIS B 37 3.136 -5.317 -2.803 1.00 0.00 N ATOM 0 H HIS B 37 5.786 -0.560 -5.615 1.00 0.00 H new ATOM 0 HA HIS B 37 6.159 -3.327 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.608 -1.792 -3.482 1.00 0.00 H new ATOM 0 HB3 HIS B 37 4.029 -1.481 -4.176 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.589 -4.181 -4.597 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.316 -5.698 -1.067 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.460 -6.080 -2.786 1.00 0.00 H new ATOM 783 N LEU B 38 3.348 -2.386 -6.797 1.00 0.00 N ATOM 784 CA LEU B 38 2.214 -2.866 -7.570 1.00 0.00 C ATOM 785 C LEU B 38 2.684 -3.649 -8.792 1.00 0.00 C ATOM 786 O LEU B 38 2.082 -4.657 -9.155 1.00 0.00 O ATOM 787 CB LEU B 38 1.325 -1.668 -7.993 1.00 0.00 C ATOM 788 CG LEU B 38 -0.009 -1.687 -7.226 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.695 -0.332 -7.367 1.00 0.00 C ATOM 790 CD2 LEU B 38 -0.930 -2.778 -7.791 1.00 0.00 C ATOM 0 H LEU B 38 3.399 -1.372 -6.699 1.00 0.00 H new ATOM 0 HA LEU B 38 1.625 -3.541 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.849 -0.732 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU B 38 1.135 -1.710 -9.065 1.00 0.00 H new ATOM 0 HG LEU B 38 0.191 -1.895 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.640 -0.344 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.051 0.446 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -0.885 -0.128 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.871 -2.781 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.127 -2.578 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.447 -3.750 -7.690 1.00 0.00 H new ATOM 802 N ILE B 39 3.744 -3.184 -9.430 1.00 0.00 N ATOM 803 CA ILE B 39 4.243 -3.868 -10.610 1.00 0.00 C ATOM 804 C ILE B 39 4.678 -5.287 -10.254 1.00 0.00 C ATOM 805 O ILE B 39 4.356 -6.237 -10.962 1.00 0.00 O ATOM 806 CB ILE B 39 5.427 -3.089 -11.193 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.928 -1.749 -11.747 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.079 -3.897 -12.322 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.118 -0.850 -12.093 1.00 0.00 C ATOM 0 H ILE B 39 4.267 -2.352 -9.158 1.00 0.00 H new ATOM 0 HA ILE B 39 3.447 -3.923 -11.352 1.00 0.00 H new ATOM 0 HB ILE B 39 6.163 -2.913 -10.409 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.319 -1.917 -12.635 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.291 -1.257 -11.012 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.920 -3.337 -12.732 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.434 -4.850 -11.929 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.347 -4.079 -13.109 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.755 0.100 -12.486 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.710 -0.669 -11.196 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.738 -1.340 -12.844 1.00 0.00 H new ATOM 821 N LEU B 40 5.405 -5.427 -9.155 1.00 0.00 N ATOM 822 CA LEU B 40 5.869 -6.745 -8.730 1.00 0.00 C ATOM 823 C LEU B 40 4.699 -7.634 -8.292 1.00 0.00 C ATOM 824 O LEU B 40 4.642 -8.813 -8.637 1.00 0.00 O ATOM 825 CB LEU B 40 6.866 -6.585 -7.577 1.00 0.00 C ATOM 826 CG LEU B 40 8.153 -5.911 -8.084 1.00 0.00 C ATOM 827 CD1 LEU B 40 9.009 -5.484 -6.885 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.962 -6.874 -8.978 1.00 0.00 C ATOM 0 H LEU B 40 5.685 -4.657 -8.547 1.00 0.00 H new ATOM 0 HA LEU B 40 6.357 -7.229 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.422 -5.987 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.100 -7.560 -7.150 1.00 0.00 H new ATOM 0 HG LEU B 40 7.879 -5.038 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.922 -5.006 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.448 -4.781 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.267 -6.361 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.867 -6.375 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.233 -7.761 -8.405 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.358 -7.167 -9.837 1.00 0.00 H new ATOM 840 N TRP B 41 3.774 -7.062 -7.522 1.00 0.00 N ATOM 841 CA TRP B 41 2.614 -7.810 -7.033 1.00 0.00 C ATOM 842 C TRP B 41 1.663 -8.171 -8.176 1.00 0.00 C ATOM 843 O TRP B 41 1.079 -9.258 -8.187 1.00 0.00 O ATOM 844 CB TRP B 41 1.885 -6.994 -5.959 1.00 0.00 C ATOM 845 CG TRP B 41 0.668 -7.722 -5.476 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.644 -8.663 -4.498 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.710 -7.556 -5.909 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.661 -9.088 -4.320 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.530 -8.431 -5.164 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.321 -6.732 -6.866 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.905 -8.485 -5.366 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.707 -6.782 -7.069 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.495 -7.657 -6.321 1.00 0.00 C ATOM 0 H TRP B 41 3.804 -6.087 -7.224 1.00 0.00 H new ATOM 0 HA TRP B 41 2.966 -8.743 -6.593 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.557 -6.803 -5.122 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.598 -6.024 -6.365 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.502 -9.021 -3.949 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.945 -9.800 -3.647 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.718 -6.053 -7.451 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.513 -9.164 -4.787 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.166 -6.141 -7.807 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.562 -7.693 -6.481 1.00 0.00 H new ATOM 864 N ILE B 42 1.506 -7.257 -9.132 1.00 0.00 N ATOM 865 CA ILE B 42 0.613 -7.503 -10.262 1.00 0.00 C ATOM 866 C ILE B 42 1.082 -8.742 -11.029 1.00 0.00 C ATOM 867 O ILE B 42 0.282 -9.618 -11.357 1.00 0.00 O ATOM 868 CB ILE B 42 0.605 -6.268 -11.193 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.282 -5.154 -10.591 1.00 0.00 C ATOM 870 CG2 ILE B 42 0.090 -6.643 -12.595 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.763 -5.365 -10.950 1.00 0.00 C ATOM 0 H ILE B 42 1.978 -6.353 -9.148 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.399 -7.678 -9.896 1.00 0.00 H new ATOM 0 HB ILE B 42 1.628 -5.904 -11.285 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.167 -5.140 -9.507 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.049 -4.183 -10.960 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.093 -5.759 -13.232 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.737 -7.405 -13.029 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -0.926 -7.031 -12.518 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.361 -4.566 -10.512 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.880 -5.354 -12.034 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.099 -6.325 -10.559 1.00 0.00 H new ATOM 883 N LEU B 43 2.382 -8.819 -11.291 1.00 0.00 N ATOM 884 CA LEU B 43 2.939 -9.968 -12.000 1.00 0.00 C ATOM 885 C LEU B 43 2.755 -11.242 -11.173 1.00 0.00 C ATOM 886 O LEU B 43 2.476 -12.308 -11.721 1.00 0.00 O ATOM 887 CB LEU B 43 4.434 -9.736 -12.305 1.00 0.00 C ATOM 888 CG LEU B 43 4.616 -9.051 -13.676 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.305 -10.039 -14.824 1.00 0.00 C ATOM 890 CD2 LEU B 43 3.696 -7.819 -13.780 1.00 0.00 C ATOM 0 H LEU B 43 3.065 -8.109 -11.027 1.00 0.00 H new ATOM 0 HA LEU B 43 2.407 -10.087 -12.944 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.877 -9.119 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.963 -10.689 -12.297 1.00 0.00 H new ATOM 0 HG LEU B 43 5.654 -8.730 -13.765 1.00 0.00 H new ATOM 0 HD11 LEU B 43 4.439 -9.537 -15.782 1.00 0.00 H new ATOM 0 HD12 LEU B 43 4.981 -10.892 -14.763 1.00 0.00 H new ATOM 0 HD13 LEU B 43 3.275 -10.386 -14.737 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.833 -7.344 -14.751 1.00 0.00 H new ATOM 0 HD22 LEU B 43 2.657 -8.131 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.946 -7.110 -12.991 1.00 0.00 H new ATOM 902 N ASP B 44 2.915 -11.131 -9.856 1.00 0.00 N ATOM 903 CA ASP B 44 2.766 -12.294 -8.988 1.00 0.00 C ATOM 904 C ASP B 44 1.458 -13.009 -9.300 1.00 0.00 C ATOM 905 O ASP B 44 1.421 -14.232 -9.427 1.00 0.00 O ATOM 906 CB ASP B 44 2.776 -11.861 -7.519 1.00 0.00 C ATOM 907 CG ASP B 44 2.845 -13.085 -6.611 1.00 0.00 C ATOM 908 OD1 ASP B 44 2.743 -14.186 -7.124 1.00 0.00 O ATOM 909 OD2 ASP B 44 3.001 -12.901 -5.414 1.00 0.00 O ATOM 0 H ASP B 44 3.144 -10.262 -9.374 1.00 0.00 H new ATOM 0 HA ASP B 44 3.600 -12.973 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.629 -11.210 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP B 44 1.879 -11.284 -7.296 1.00 0.00 H new ATOM 914 N ARG B 45 0.388 -12.234 -9.438 1.00 0.00 N ATOM 915 CA ARG B 45 -0.918 -12.805 -9.755 1.00 0.00 C ATOM 916 C ARG B 45 -0.896 -13.487 -11.119 1.00 0.00 C ATOM 917 O ARG B 45 -1.536 -14.519 -11.317 1.00 0.00 O ATOM 918 CB ARG B 45 -1.996 -11.719 -9.742 1.00 0.00 C ATOM 919 CG ARG B 45 -3.356 -12.356 -10.046 1.00 0.00 C ATOM 920 CD ARG B 45 -4.472 -11.333 -9.833 1.00 0.00 C ATOM 921 NE ARG B 45 -4.597 -11.018 -8.417 1.00 0.00 N ATOM 922 CZ ARG B 45 -5.515 -10.162 -7.983 1.00 0.00 C ATOM 923 NH1 ARG B 45 -6.335 -9.597 -8.826 1.00 0.00 N ATOM 924 NH2 ARG B 45 -5.602 -9.889 -6.711 1.00 0.00 N ATOM 0 H ARG B 45 0.397 -11.219 -9.337 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.151 -13.549 -8.993 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -2.021 -11.226 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.766 -10.953 -10.482 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -3.375 -12.719 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -3.515 -13.220 -9.400 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -4.257 -10.426 -10.398 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -5.415 -11.728 -10.211 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.969 -11.462 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -6.272 -9.812 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -7.039 -8.940 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.965 -10.333 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.307 -9.232 -6.378 1.00 0.00 H new ATOM 1127 N VAL C 27 0.895 11.541 8.095 1.00 0.00 N ATOM 1128 CA VAL C 27 1.497 11.227 6.800 1.00 0.00 C ATOM 1129 C VAL C 27 2.762 10.395 6.989 1.00 0.00 C ATOM 1130 O VAL C 27 2.993 9.419 6.275 1.00 0.00 O ATOM 1131 CB VAL C 27 1.829 12.517 6.045 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.578 12.182 4.752 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.535 13.255 5.695 1.00 0.00 C ATOM 0 HA VAL C 27 0.781 10.649 6.217 1.00 0.00 H new ATOM 0 HB VAL C 27 2.454 13.148 6.677 1.00 0.00 H new ATOM 0 HG11 VAL C 27 2.812 13.103 4.218 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.502 11.657 4.993 1.00 0.00 H new ATOM 0 HG13 VAL C 27 1.953 11.547 4.124 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.774 14.173 5.158 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -0.088 12.619 5.067 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -0.003 13.500 6.611 1.00 0.00 H new ATOM 1143 N VAL C 28 3.582 10.799 7.954 1.00 0.00 N ATOM 1144 CA VAL C 28 4.827 10.096 8.234 1.00 0.00 C ATOM 1145 C VAL C 28 4.545 8.671 8.702 1.00 0.00 C ATOM 1146 O VAL C 28 5.200 7.725 8.269 1.00 0.00 O ATOM 1147 CB VAL C 28 5.617 10.847 9.310 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.854 10.037 9.706 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.053 12.208 8.759 1.00 0.00 C ATOM 0 H VAL C 28 3.407 11.606 8.553 1.00 0.00 H new ATOM 0 HA VAL C 28 5.415 10.052 7.317 1.00 0.00 H new ATOM 0 HB VAL C 28 4.987 10.990 10.188 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.412 10.576 10.472 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.544 9.068 10.097 1.00 0.00 H new ATOM 0 HG13 VAL C 28 7.488 9.889 8.831 1.00 0.00 H new ATOM 0 HG21 VAL C 28 6.616 12.746 9.522 1.00 0.00 H new ATOM 0 HG22 VAL C 28 6.682 12.061 7.881 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.172 12.787 8.482 1.00 0.00 H new ATOM 1159 N ALA C 29 3.566 8.528 9.590 1.00 0.00 N ATOM 1160 CA ALA C 29 3.211 7.215 10.113 1.00 0.00 C ATOM 1161 C ALA C 29 2.857 6.264 8.973 1.00 0.00 C ATOM 1162 O ALA C 29 3.366 5.147 8.909 1.00 0.00 O ATOM 1163 CB ALA C 29 2.019 7.335 11.069 1.00 0.00 C ATOM 0 H ALA C 29 3.009 9.299 9.959 1.00 0.00 H new ATOM 0 HA ALA C 29 4.069 6.816 10.653 1.00 0.00 H new ATOM 0 HB1 ALA C 29 1.761 6.349 11.455 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.282 7.991 11.898 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.165 7.750 10.535 1.00 0.00 H new ATOM 1169 N ALA C 30 1.989 6.714 8.077 1.00 0.00 N ATOM 1170 CA ALA C 30 1.582 5.884 6.951 1.00 0.00 C ATOM 1171 C ALA C 30 2.776 5.578 6.055 1.00 0.00 C ATOM 1172 O ALA C 30 2.915 4.462 5.550 1.00 0.00 O ATOM 1173 CB ALA C 30 0.502 6.599 6.137 1.00 0.00 C ATOM 0 H ALA C 30 1.557 7.638 8.106 1.00 0.00 H new ATOM 0 HA ALA C 30 1.182 4.947 7.340 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.204 5.971 5.297 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -0.363 6.792 6.771 1.00 0.00 H new ATOM 0 HB3 ALA C 30 0.895 7.544 5.762 1.00 0.00 H new ATOM 1179 N ASN C 31 3.635 6.572 5.854 1.00 0.00 N ATOM 1180 CA ASN C 31 4.809 6.390 5.009 1.00 0.00 C ATOM 1181 C ASN C 31 5.754 5.347 5.607 1.00 0.00 C ATOM 1182 O ASN C 31 6.255 4.476 4.900 1.00 0.00 O ATOM 1183 CB ASN C 31 5.549 7.725 4.859 1.00 0.00 C ATOM 1184 CG ASN C 31 4.795 8.644 3.901 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.745 9.855 4.117 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.208 8.144 2.848 1.00 0.00 N ATOM 0 H ASN C 31 3.542 7.503 6.260 1.00 0.00 H new ATOM 0 HA ASN C 31 4.478 6.039 4.031 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.648 8.205 5.832 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.558 7.549 4.487 1.00 0.00 H new ATOM 0 HD21 ASN C 31 3.708 8.757 2.204 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.250 7.141 2.669 1.00 0.00 H new ATOM 1193 N ILE C 32 5.986 5.435 6.916 1.00 0.00 N ATOM 1194 CA ILE C 32 6.875 4.493 7.592 1.00 0.00 C ATOM 1195 C ILE C 32 6.309 3.077 7.518 1.00 0.00 C ATOM 1196 O ILE C 32 7.038 2.117 7.269 1.00 0.00 O ATOM 1197 CB ILE C 32 7.071 4.906 9.056 1.00 0.00 C ATOM 1198 CG1 ILE C 32 7.860 6.218 9.105 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.852 3.817 9.800 1.00 0.00 C ATOM 1200 CD1 ILE C 32 7.838 6.778 10.526 1.00 0.00 C ATOM 0 H ILE C 32 5.575 6.143 7.525 1.00 0.00 H new ATOM 0 HA ILE C 32 7.842 4.508 7.089 1.00 0.00 H new ATOM 0 HB ILE C 32 6.099 5.040 9.530 1.00 0.00 H new ATOM 0 HG12 ILE C 32 8.888 6.047 8.787 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.428 6.940 8.412 1.00 0.00 H new ATOM 0 HG21 ILE C 32 7.989 4.114 10.840 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.297 2.880 9.760 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.826 3.682 9.330 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.400 7.711 10.558 1.00 0.00 H new ATOM 0 HD12 ILE C 32 6.807 6.965 10.828 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.291 6.058 11.208 1.00 0.00 H new ATOM 1212 N ILE C 33 5.007 2.960 7.735 1.00 0.00 N ATOM 1213 CA ILE C 33 4.343 1.664 7.690 1.00 0.00 C ATOM 1214 C ILE C 33 4.465 1.049 6.299 1.00 0.00 C ATOM 1215 O ILE C 33 4.720 -0.150 6.165 1.00 0.00 O ATOM 1216 CB ILE C 33 2.869 1.827 8.074 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.768 2.188 9.558 1.00 0.00 C ATOM 1218 CG2 ILE C 33 2.123 0.519 7.823 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.341 2.634 9.880 1.00 0.00 C ATOM 0 H ILE C 33 4.390 3.745 7.944 1.00 0.00 H new ATOM 0 HA ILE C 33 4.825 0.994 8.402 1.00 0.00 H new ATOM 0 HB ILE C 33 2.425 2.619 7.470 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.039 1.328 10.171 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.472 2.985 9.798 1.00 0.00 H new ATOM 0 HG21 ILE C 33 1.075 0.639 8.097 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.194 0.257 6.767 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.567 -0.274 8.425 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.270 2.891 10.937 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.087 3.506 9.277 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.647 1.824 9.656 1.00 0.00 H new ATOM 1231 N GLY C 34 4.281 1.863 5.267 1.00 0.00 N ATOM 1232 CA GLY C 34 4.372 1.366 3.900 1.00 0.00 C ATOM 1233 C GLY C 34 5.714 0.680 3.657 1.00 0.00 C ATOM 1234 O GLY C 34 5.767 -0.397 3.062 1.00 0.00 O ATOM 0 H GLY C 34 4.070 2.858 5.348 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.560 0.664 3.710 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.249 2.192 3.200 1.00 0.00 H new ATOM 1238 N ILE C 35 6.795 1.300 4.123 1.00 0.00 N ATOM 1239 CA ILE C 35 8.125 0.718 3.945 1.00 0.00 C ATOM 1240 C ILE C 35 8.263 -0.573 4.749 1.00 0.00 C ATOM 1241 O ILE C 35 8.813 -1.560 4.262 1.00 0.00 O ATOM 1242 CB ILE C 35 9.211 1.703 4.386 1.00 0.00 C ATOM 1243 CG1 ILE C 35 9.040 3.047 3.659 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.591 1.124 4.064 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.004 2.849 2.141 1.00 0.00 C ATOM 0 H ILE C 35 6.780 2.191 4.619 1.00 0.00 H new ATOM 0 HA ILE C 35 8.249 0.496 2.885 1.00 0.00 H new ATOM 0 HB ILE C 35 9.121 1.866 5.460 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.119 3.528 3.989 1.00 0.00 H new ATOM 0 HG13 ILE C 35 9.860 3.714 3.923 1.00 0.00 H new ATOM 0 HG21 ILE C 35 11.363 1.827 4.379 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.722 0.180 4.593 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.672 0.953 2.991 1.00 0.00 H new ATOM 0 HD11 ILE C 35 8.882 3.815 1.651 1.00 0.00 H new ATOM 0 HD12 ILE C 35 9.936 2.390 1.812 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.168 2.201 1.878 1.00 0.00 H new ATOM 1257 N LEU C 36 7.772 -0.556 5.986 1.00 0.00 N ATOM 1258 CA LEU C 36 7.865 -1.731 6.847 1.00 0.00 C ATOM 1259 C LEU C 36 7.106 -2.905 6.233 1.00 0.00 C ATOM 1260 O LEU C 36 7.589 -4.038 6.231 1.00 0.00 O ATOM 1261 CB LEU C 36 7.278 -1.412 8.226 1.00 0.00 C ATOM 1262 CG LEU C 36 8.172 -0.396 8.957 1.00 0.00 C ATOM 1263 CD1 LEU C 36 7.450 0.096 10.217 1.00 0.00 C ATOM 1264 CD2 LEU C 36 9.521 -1.039 9.346 1.00 0.00 C ATOM 0 H LEU C 36 7.311 0.249 6.410 1.00 0.00 H new ATOM 0 HA LEU C 36 8.916 -2.003 6.949 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.271 -1.010 8.117 1.00 0.00 H new ATOM 0 HB3 LEU C 36 7.195 -2.325 8.815 1.00 0.00 H new ATOM 0 HG LEU C 36 8.370 0.444 8.292 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.079 0.817 10.739 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.510 0.572 9.936 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.246 -0.750 10.873 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.139 -0.304 9.862 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.342 -1.889 10.004 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.035 -1.378 8.447 1.00 0.00 H new ATOM 1276 N HIS C 37 5.920 -2.627 5.700 1.00 0.00 N ATOM 1277 CA HIS C 37 5.115 -3.669 5.075 1.00 0.00 C ATOM 1278 C HIS C 37 5.855 -4.285 3.898 1.00 0.00 C ATOM 1279 O HIS C 37 5.841 -5.502 3.711 1.00 0.00 O ATOM 1280 CB HIS C 37 3.787 -3.094 4.586 1.00 0.00 C ATOM 1281 CG HIS C 37 2.984 -4.192 3.947 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.771 -4.622 4.457 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.216 -4.965 2.837 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.329 -5.613 3.661 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.170 -5.859 2.660 1.00 0.00 N ATOM 0 H HIS C 37 5.499 -1.698 5.688 1.00 0.00 H new ATOM 0 HA HIS C 37 4.925 -4.440 5.822 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.235 -2.660 5.420 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.965 -2.292 3.870 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.083 -4.889 2.197 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.402 -6.145 3.816 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.068 -6.555 1.921 1.00 0.00 H new ATOM 1293 N LEU C 38 6.477 -3.436 3.096 1.00 0.00 N ATOM 1294 CA LEU C 38 7.194 -3.905 1.920 1.00 0.00 C ATOM 1295 C LEU C 38 8.314 -4.863 2.316 1.00 0.00 C ATOM 1296 O LEU C 38 8.560 -5.851 1.627 1.00 0.00 O ATOM 1297 CB LEU C 38 7.759 -2.693 1.134 1.00 0.00 C ATOM 1298 CG LEU C 38 7.004 -2.507 -0.195 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.308 -1.124 -0.761 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.444 -3.574 -1.208 1.00 0.00 C ATOM 0 H LEU C 38 6.501 -2.426 3.235 1.00 0.00 H new ATOM 0 HA LEU C 38 6.501 -4.450 1.278 1.00 0.00 H new ATOM 0 HB2 LEU C 38 7.672 -1.789 1.737 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.820 -2.844 0.937 1.00 0.00 H new ATOM 0 HG LEU C 38 5.934 -2.607 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.774 -0.991 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU C 38 6.988 -0.362 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.380 -1.030 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.903 -3.432 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.515 -3.483 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU C 38 7.227 -4.565 -0.810 1.00 0.00 H new ATOM 1312 N ILE C 39 8.999 -4.567 3.408 1.00 0.00 N ATOM 1313 CA ILE C 39 10.089 -5.422 3.839 1.00 0.00 C ATOM 1314 C ILE C 39 9.569 -6.824 4.155 1.00 0.00 C ATOM 1315 O ILE C 39 10.164 -7.818 3.750 1.00 0.00 O ATOM 1316 CB ILE C 39 10.753 -4.820 5.084 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.460 -3.516 4.696 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.778 -5.806 5.659 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.905 -2.767 5.958 1.00 0.00 C ATOM 0 H ILE C 39 8.824 -3.756 4.002 1.00 0.00 H new ATOM 0 HA ILE C 39 10.822 -5.494 3.036 1.00 0.00 H new ATOM 0 HB ILE C 39 9.992 -4.618 5.838 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.324 -3.734 4.068 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.789 -2.889 4.108 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.245 -5.371 6.543 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.276 -6.734 5.933 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.542 -6.014 4.910 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.406 -1.842 5.674 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.033 -2.534 6.569 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.592 -3.392 6.529 1.00 0.00 H new ATOM 1331 N LEU C 40 8.459 -6.899 4.872 1.00 0.00 N ATOM 1332 CA LEU C 40 7.881 -8.193 5.225 1.00 0.00 C ATOM 1333 C LEU C 40 7.349 -8.923 3.986 1.00 0.00 C ATOM 1334 O LEU C 40 7.555 -10.126 3.827 1.00 0.00 O ATOM 1335 CB LEU C 40 6.750 -7.985 6.236 1.00 0.00 C ATOM 1336 CG LEU C 40 7.326 -7.485 7.573 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.180 -6.996 8.467 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.097 -8.610 8.294 1.00 0.00 C ATOM 0 H LEU C 40 7.942 -6.091 5.219 1.00 0.00 H new ATOM 0 HA LEU C 40 8.663 -8.811 5.666 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.032 -7.263 5.847 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.211 -8.920 6.389 1.00 0.00 H new ATOM 0 HG LEU C 40 8.018 -6.667 7.371 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.584 -6.641 9.415 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.653 -6.182 7.970 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.487 -7.817 8.652 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.495 -8.233 9.236 1.00 0.00 H new ATOM 0 HD22 LEU C 40 7.423 -9.444 8.492 1.00 0.00 H new ATOM 0 HD23 LEU C 40 8.919 -8.950 7.664 1.00 0.00 H new ATOM 1350 N TRP C 41 6.659 -8.188 3.116 1.00 0.00 N ATOM 1351 CA TRP C 41 6.093 -8.772 1.899 1.00 0.00 C ATOM 1352 C TRP C 41 7.189 -9.182 0.915 1.00 0.00 C ATOM 1353 O TRP C 41 7.077 -10.209 0.242 1.00 0.00 O ATOM 1354 CB TRP C 41 5.125 -7.778 1.247 1.00 0.00 C ATOM 1355 CG TRP C 41 4.568 -8.341 -0.028 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.490 -9.156 -0.124 1.00 0.00 C ATOM 1357 CD2 TRP C 41 5.023 -8.108 -1.388 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.267 -9.445 -1.461 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.187 -8.819 -2.275 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.074 -7.351 -1.933 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.389 -8.781 -3.651 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.275 -7.308 -3.317 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.433 -8.020 -4.173 1.00 0.00 C ATOM 0 H TRP C 41 6.478 -7.191 3.229 1.00 0.00 H new ATOM 0 HA TRP C 41 5.546 -9.674 2.174 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.312 -7.549 1.936 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.642 -6.841 1.042 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.901 -9.520 0.705 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.516 -10.046 -1.800 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.732 -6.798 -1.279 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.740 -9.338 -4.311 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.085 -6.721 -3.725 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.591 -7.981 -5.241 1.00 0.00 H new ATOM 1374 N ILE C 42 8.244 -8.376 0.831 1.00 0.00 N ATOM 1375 CA ILE C 42 9.345 -8.672 -0.084 1.00 0.00 C ATOM 1376 C ILE C 42 9.958 -10.027 0.275 1.00 0.00 C ATOM 1377 O ILE C 42 10.187 -10.864 -0.599 1.00 0.00 O ATOM 1378 CB ILE C 42 10.411 -7.558 0.008 1.00 0.00 C ATOM 1379 CG1 ILE C 42 9.946 -6.310 -0.778 1.00 0.00 C ATOM 1380 CG2 ILE C 42 11.762 -8.047 -0.542 1.00 0.00 C ATOM 1381 CD1 ILE C 42 10.285 -6.434 -2.273 1.00 0.00 C ATOM 0 H ILE C 42 8.361 -7.523 1.378 1.00 0.00 H new ATOM 0 HA ILE C 42 8.970 -8.714 -1.107 1.00 0.00 H new ATOM 0 HB ILE C 42 10.539 -7.295 1.058 1.00 0.00 H new ATOM 0 HG12 ILE C 42 8.871 -6.180 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE C 42 10.423 -5.420 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE C 42 12.497 -7.246 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE C 42 12.101 -8.906 0.037 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.646 -8.336 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE C 42 9.945 -5.541 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE C 42 11.363 -6.538 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE C 42 9.787 -7.310 -2.688 1.00 0.00 H new ATOM 1393 N LEU C 43 10.205 -10.244 1.562 1.00 0.00 N ATOM 1394 CA LEU C 43 10.773 -11.509 2.016 1.00 0.00 C ATOM 1395 C LEU C 43 9.803 -12.659 1.729 1.00 0.00 C ATOM 1396 O LEU C 43 10.227 -13.756 1.357 1.00 0.00 O ATOM 1397 CB LEU C 43 11.093 -11.442 3.524 1.00 0.00 C ATOM 1398 CG LEU C 43 12.536 -10.939 3.758 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.563 -12.025 3.357 1.00 0.00 C ATOM 1400 CD2 LEU C 43 12.786 -9.655 2.944 1.00 0.00 C ATOM 0 H LEU C 43 10.023 -9.568 2.304 1.00 0.00 H new ATOM 0 HA LEU C 43 11.700 -11.690 1.472 1.00 0.00 H new ATOM 0 HB2 LEU C 43 10.386 -10.777 4.021 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.970 -12.429 3.970 1.00 0.00 H new ATOM 0 HG LEU C 43 12.657 -10.720 4.819 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.573 -11.652 3.529 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.399 -12.920 3.958 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.441 -12.269 2.302 1.00 0.00 H new ATOM 0 HD21 LEU C 43 13.805 -9.308 3.115 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.647 -9.864 1.883 1.00 0.00 H new ATOM 0 HD23 LEU C 43 12.083 -8.883 3.257 1.00 0.00 H new ATOM 1412 N ASP C 44 8.509 -12.410 1.905 1.00 0.00 N ATOM 1413 CA ASP C 44 7.512 -13.448 1.663 1.00 0.00 C ATOM 1414 C ASP C 44 7.744 -14.082 0.296 1.00 0.00 C ATOM 1415 O ASP C 44 7.729 -15.303 0.156 1.00 0.00 O ATOM 1416 CB ASP C 44 6.103 -12.850 1.719 1.00 0.00 C ATOM 1417 CG ASP C 44 5.059 -13.963 1.687 1.00 0.00 C ATOM 1418 OD1 ASP C 44 5.441 -15.103 1.487 1.00 0.00 O ATOM 1419 OD2 ASP C 44 3.891 -13.657 1.862 1.00 0.00 O ATOM 0 H ASP C 44 8.130 -11.513 2.209 1.00 0.00 H new ATOM 0 HA ASP C 44 7.606 -14.211 2.436 1.00 0.00 H new ATOM 0 HB2 ASP C 44 5.987 -12.258 2.627 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.952 -12.175 0.876 1.00 0.00 H new ATOM 1424 N ARG C 45 7.978 -13.240 -0.706 1.00 0.00 N ATOM 1425 CA ARG C 45 8.232 -13.731 -2.056 1.00 0.00 C ATOM 1426 C ARG C 45 9.508 -14.566 -2.100 1.00 0.00 C ATOM 1427 O ARG C 45 9.589 -15.557 -2.826 1.00 0.00 O ATOM 1428 CB ARG C 45 8.350 -12.564 -3.038 1.00 0.00 C ATOM 1429 CG ARG C 45 8.587 -13.114 -4.449 1.00 0.00 C ATOM 1430 CD ARG C 45 8.499 -11.981 -5.473 1.00 0.00 C ATOM 1431 NE ARG C 45 7.128 -11.496 -5.566 1.00 0.00 N ATOM 1432 CZ ARG C 45 6.800 -10.521 -6.405 1.00 0.00 C ATOM 1433 NH1 ARG C 45 7.709 -9.992 -7.178 1.00 0.00 N ATOM 1434 NH2 ARG C 45 5.568 -10.099 -6.462 1.00 0.00 N ATOM 0 H ARG C 45 7.997 -12.225 -0.611 1.00 0.00 H new ATOM 0 HA ARG C 45 7.390 -14.360 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG C 45 7.441 -11.962 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG C 45 9.172 -11.910 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG C 45 9.566 -13.589 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG C 45 7.847 -13.881 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG C 45 9.162 -11.166 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG C 45 8.835 -12.334 -6.448 1.00 0.00 H new ATOM 0 HE ARG C 45 6.408 -11.913 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG C 45 8.671 -10.328 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG C 45 7.457 -9.243 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG C 45 4.857 -10.518 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG C 45 5.315 -9.350 -7.106 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.944 12.194 2.161 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.691 11.696 2.721 1.00 0.00 C ATOM 1639 C VAL D 27 -5.964 10.774 3.904 1.00 0.00 C ATOM 1640 O VAL D 27 -5.354 9.712 4.035 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.810 12.868 3.170 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.559 12.338 3.869 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.395 13.693 1.949 1.00 0.00 C ATOM 0 HA VAL D 27 -5.169 11.131 1.948 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.373 13.494 3.862 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.937 13.175 4.186 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.850 11.752 4.741 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.996 11.708 3.180 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.769 14.526 2.268 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.836 13.063 1.257 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.285 14.078 1.451 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.887 11.193 4.765 1.00 0.00 N ATOM 1654 CA VAL D 28 -7.240 10.408 5.940 1.00 0.00 C ATOM 1655 C VAL D 28 -7.847 9.071 5.527 1.00 0.00 C ATOM 1656 O VAL D 28 -7.514 8.026 6.088 1.00 0.00 O ATOM 1657 CB VAL D 28 -8.237 11.186 6.804 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.717 10.305 7.961 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.554 12.435 7.366 1.00 0.00 C ATOM 0 H VAL D 28 -7.401 12.069 4.670 1.00 0.00 H new ATOM 0 HA VAL D 28 -6.335 10.217 6.516 1.00 0.00 H new ATOM 0 HB VAL D 28 -9.092 11.478 6.194 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -9.426 10.863 8.573 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -9.203 9.414 7.563 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.864 10.010 8.572 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -8.261 12.991 7.981 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.698 12.140 7.973 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -7.215 13.065 6.544 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.742 9.109 4.545 1.00 0.00 N ATOM 1670 CA ALA D 29 -9.392 7.895 4.069 1.00 0.00 C ATOM 1671 C ALA D 29 -8.355 6.873 3.619 1.00 0.00 C ATOM 1672 O ALA D 29 -8.406 5.712 4.015 1.00 0.00 O ATOM 1673 CB ALA D 29 -10.327 8.228 2.901 1.00 0.00 C ATOM 0 H ALA D 29 -9.032 9.962 4.066 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.971 7.469 4.888 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.810 7.316 2.550 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -11.086 8.936 3.233 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.751 8.669 2.088 1.00 0.00 H new ATOM 1679 N ALA D 30 -7.414 7.309 2.791 1.00 0.00 N ATOM 1680 CA ALA D 30 -6.378 6.413 2.300 1.00 0.00 C ATOM 1681 C ALA D 30 -5.520 5.903 3.454 1.00 0.00 C ATOM 1682 O ALA D 30 -5.131 4.736 3.480 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.493 7.139 1.287 1.00 0.00 C ATOM 0 H ALA D 30 -7.348 8.268 2.449 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.860 5.564 1.816 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.721 6.460 0.926 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -6.102 7.476 0.448 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -5.025 8.000 1.764 1.00 0.00 H new ATOM 1689 N ASN D 31 -5.224 6.786 4.403 1.00 0.00 N ATOM 1690 CA ASN D 31 -4.407 6.410 5.550 1.00 0.00 C ATOM 1691 C ASN D 31 -5.111 5.349 6.396 1.00 0.00 C ATOM 1692 O ASN D 31 -4.496 4.369 6.808 1.00 0.00 O ATOM 1693 CB ASN D 31 -4.127 7.647 6.410 1.00 0.00 C ATOM 1694 CG ASN D 31 -3.077 8.532 5.743 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -3.168 9.759 5.811 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.078 7.988 5.103 1.00 0.00 N ATOM 0 H ASN D 31 -5.535 7.758 4.401 1.00 0.00 H new ATOM 0 HA ASN D 31 -3.468 5.994 5.183 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -5.048 8.212 6.557 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -3.780 7.341 7.397 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.374 8.578 4.660 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.001 6.972 5.046 1.00 0.00 H new ATOM 1703 N ILE D 32 -6.402 5.547 6.645 1.00 0.00 N ATOM 1704 CA ILE D 32 -7.175 4.597 7.447 1.00 0.00 C ATOM 1705 C ILE D 32 -7.241 3.243 6.750 1.00 0.00 C ATOM 1706 O ILE D 32 -7.093 2.199 7.385 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.587 5.137 7.690 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -8.507 6.367 8.598 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.442 4.060 8.367 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.866 7.067 8.635 1.00 0.00 C ATOM 0 H ILE D 32 -6.934 6.349 6.307 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.678 4.468 8.409 1.00 0.00 H new ATOM 0 HB ILE D 32 -9.040 5.411 6.737 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -8.212 6.070 9.604 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.743 7.053 8.232 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.446 4.447 8.539 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.497 3.182 7.724 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.992 3.784 9.321 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.807 7.942 9.282 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -10.142 7.378 7.628 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.619 6.380 9.022 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.466 3.274 5.447 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.549 2.049 4.662 1.00 0.00 C ATOM 1724 C ILE D 33 -6.227 1.287 4.715 1.00 0.00 C ATOM 1725 O ILE D 33 -6.215 0.062 4.852 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.909 2.395 3.214 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.350 2.906 3.157 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.780 1.150 2.342 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.623 3.515 1.781 1.00 0.00 C ATOM 0 H ILE D 33 -7.595 4.131 4.909 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.325 1.409 5.082 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.231 3.166 2.848 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -10.045 2.088 3.348 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.513 3.652 3.935 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.037 1.399 1.312 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.755 0.783 2.382 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.457 0.378 2.708 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.650 3.879 1.741 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.937 4.344 1.608 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.477 2.757 1.012 1.00 0.00 H new ATOM 1741 N GLY D 34 -5.118 2.007 4.600 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.809 1.370 4.632 1.00 0.00 C ATOM 1743 C GLY D 34 -3.638 0.536 5.901 1.00 0.00 C ATOM 1744 O GLY D 34 -3.155 -0.595 5.848 1.00 0.00 O ATOM 0 H GLY D 34 -5.098 3.020 4.485 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.688 0.734 3.755 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -3.029 2.130 4.584 1.00 0.00 H new ATOM 1748 N ILE D 35 -4.040 1.095 7.040 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.926 0.376 8.307 1.00 0.00 C ATOM 1750 C ILE D 35 -4.858 -0.834 8.327 1.00 0.00 C ATOM 1751 O ILE D 35 -4.476 -1.913 8.780 1.00 0.00 O ATOM 1752 CB ILE D 35 -4.264 1.294 9.485 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -3.404 2.567 9.435 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -4.008 0.558 10.801 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -1.910 2.218 9.370 1.00 0.00 C ATOM 0 H ILE D 35 -4.442 2.030 7.113 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.895 0.036 8.403 1.00 0.00 H new ATOM 0 HB ILE D 35 -5.315 1.574 9.420 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -3.680 3.163 8.565 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -3.601 3.178 10.316 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -4.249 1.214 11.638 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.633 -0.334 10.847 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.959 0.269 10.858 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.323 3.136 9.335 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -1.632 1.643 10.253 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -1.713 1.627 8.475 1.00 0.00 H new ATOM 1767 N LEU D 36 -6.085 -0.646 7.847 1.00 0.00 N ATOM 1768 CA LEU D 36 -7.061 -1.733 7.835 1.00 0.00 C ATOM 1769 C LEU D 36 -6.564 -2.886 6.966 1.00 0.00 C ATOM 1770 O LEU D 36 -6.678 -4.053 7.344 1.00 0.00 O ATOM 1771 CB LEU D 36 -8.399 -1.224 7.292 1.00 0.00 C ATOM 1772 CG LEU D 36 -9.030 -0.229 8.279 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -10.232 0.452 7.615 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -9.484 -0.952 9.565 1.00 0.00 C ATOM 0 H LEU D 36 -6.424 0.237 7.466 1.00 0.00 H new ATOM 0 HA LEU D 36 -7.194 -2.091 8.856 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.248 -0.742 6.326 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -9.076 -2.063 7.128 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.285 0.520 8.549 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -10.681 1.158 8.313 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -9.902 0.984 6.723 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -10.969 -0.301 7.336 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -9.928 -0.230 10.251 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.221 -1.714 9.313 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -8.624 -1.423 10.041 1.00 0.00 H new ATOM 1786 N HIS D 37 -6.003 -2.554 5.809 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.483 -3.575 4.908 1.00 0.00 C ATOM 1788 C HIS D 37 -4.376 -4.371 5.577 1.00 0.00 C ATOM 1789 O HIS D 37 -4.313 -5.593 5.453 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.931 -2.930 3.639 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.406 -4.004 2.729 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.953 -4.263 1.484 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.381 -4.905 2.878 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.259 -5.281 0.943 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.289 -5.707 1.751 1.00 0.00 N ATOM 0 H HIS D 37 -5.897 -1.596 5.475 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.304 -4.245 4.653 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.713 -2.360 3.136 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -4.136 -2.228 3.890 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.741 -4.978 3.745 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.464 -5.702 -0.030 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.623 -6.460 1.578 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.493 -3.669 6.269 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.373 -4.318 6.931 1.00 0.00 C ATOM 1805 C LEU D 38 -2.867 -5.331 7.960 1.00 0.00 C ATOM 1806 O LEU D 38 -2.284 -6.401 8.110 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.466 -3.251 7.597 1.00 0.00 C ATOM 1808 CG LEU D 38 -0.123 -3.137 6.850 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.593 -1.855 7.269 1.00 0.00 C ATOM 1810 CD2 LEU D 38 0.770 -4.340 7.183 1.00 0.00 C ATOM 0 H LEU D 38 -3.529 -2.656 6.387 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.788 -4.858 6.186 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.971 -2.285 7.597 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -1.287 -3.517 8.639 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.320 -3.117 5.778 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.542 -1.778 6.739 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.030 -0.994 7.025 1.00 0.00 H new ATOM 0 HD13 LEU D 38 0.778 -1.876 8.343 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.716 -4.249 6.650 1.00 0.00 H new ATOM 0 HD22 LEU D 38 0.959 -4.367 8.256 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.270 -5.260 6.880 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.929 -4.994 8.673 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.450 -5.902 9.681 1.00 0.00 C ATOM 1824 C ILE D 39 -4.904 -7.210 9.032 1.00 0.00 C ATOM 1825 O ILE D 39 -4.602 -8.293 9.528 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.629 -5.244 10.406 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -5.116 -4.059 11.233 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.303 -6.260 11.335 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.298 -3.232 11.751 1.00 0.00 C ATOM 0 H ILE D 39 -4.439 -4.116 8.576 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.661 -6.124 10.400 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.355 -4.895 9.671 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.519 -4.420 12.071 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.464 -3.434 10.623 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.140 -5.785 11.847 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.667 -7.103 10.749 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.581 -6.615 12.071 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.925 -2.392 12.337 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.877 -2.857 10.907 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.933 -3.858 12.377 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.623 -7.106 7.924 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.103 -8.296 7.230 1.00 0.00 C ATOM 1843 C LEU D 40 -4.942 -9.094 6.623 1.00 0.00 C ATOM 1844 O LEU D 40 -4.908 -10.323 6.714 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.083 -7.882 6.129 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.367 -7.308 6.758 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.202 -6.625 5.669 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.198 -8.425 7.424 1.00 0.00 C ATOM 0 H LEU D 40 -5.886 -6.222 7.489 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.608 -8.937 7.953 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.621 -7.138 5.480 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.326 -8.742 5.505 1.00 0.00 H new ATOM 0 HG LEU D 40 -8.089 -6.583 7.523 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.112 -6.217 6.110 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.623 -5.818 5.219 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.465 -7.353 4.902 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -10.100 -7.996 7.861 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.475 -9.168 6.676 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.607 -8.901 8.206 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.001 -8.390 5.999 1.00 0.00 N ATOM 1861 CA TRP D 41 -2.848 -9.039 5.371 1.00 0.00 C ATOM 1862 C TRP D 41 -1.914 -9.648 6.418 1.00 0.00 C ATOM 1863 O TRP D 41 -1.348 -10.723 6.206 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.097 -8.030 4.496 1.00 0.00 C ATOM 1865 CG TRP D 41 -0.887 -8.664 3.879 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -0.871 -9.381 2.728 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.490 -8.612 4.341 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.429 -9.783 2.471 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.303 -9.329 3.437 1.00 0.00 C ATOM 1870 CE3 TRP D 41 1.106 -8.017 5.453 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.675 -9.447 3.630 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.489 -8.130 5.647 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.270 -8.844 4.737 1.00 0.00 C ATOM 0 H TRP D 41 -4.012 -7.374 5.914 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.211 -9.853 4.744 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.758 -7.657 3.713 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.798 -7.171 5.097 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.731 -9.602 2.113 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.706 -10.346 1.667 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.509 -7.467 6.165 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.276 -10.003 2.926 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.952 -7.663 6.504 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.336 -8.929 4.891 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.751 -8.958 7.546 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.874 -9.447 8.605 1.00 0.00 C ATOM 1886 C ILE D 42 -1.369 -10.812 9.091 1.00 0.00 C ATOM 1887 O ILE D 42 -0.584 -11.749 9.234 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.857 -8.435 9.774 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.055 -7.235 9.423 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -0.362 -9.103 11.068 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.529 -7.541 9.741 1.00 0.00 C ATOM 0 H ILE D 42 -2.209 -8.069 7.748 1.00 0.00 H new ATOM 0 HA ILE D 42 0.140 -9.556 8.219 1.00 0.00 H new ATOM 0 HB ILE D 42 -1.875 -8.081 9.934 1.00 0.00 H new ATOM 0 HG12 ILE D 42 -0.049 -6.994 8.365 1.00 0.00 H new ATOM 0 HG13 ILE D 42 -0.265 -6.356 9.983 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -0.358 -8.372 11.877 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -1.025 -9.928 11.328 1.00 0.00 H new ATOM 0 HG23 ILE D 42 0.649 -9.483 10.918 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.143 -6.678 9.483 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.635 -7.757 10.804 1.00 0.00 H new ATOM 0 HD13 ILE D 42 1.855 -8.405 9.161 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.673 -10.920 9.324 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.254 -12.181 9.772 1.00 0.00 C ATOM 1905 C LEU D 43 -3.082 -13.258 8.698 1.00 0.00 C ATOM 1906 O LEU D 43 -2.823 -14.420 9.013 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.748 -11.995 10.109 1.00 0.00 C ATOM 1908 CG LEU D 43 -4.935 -11.608 11.593 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -4.650 -12.821 12.509 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -3.998 -10.442 11.958 1.00 0.00 C ATOM 0 H LEU D 43 -3.342 -10.158 9.212 1.00 0.00 H new ATOM 0 HA LEU D 43 -2.732 -12.502 10.673 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.175 -11.221 9.471 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.290 -12.917 9.899 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.968 -11.294 11.741 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -4.786 -12.530 13.551 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -5.338 -13.631 12.265 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -3.625 -13.158 12.358 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -4.138 -10.177 13.006 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -2.963 -10.742 11.795 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -4.229 -9.580 11.332 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.228 -12.870 7.434 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.088 -13.829 6.341 1.00 0.00 C ATOM 1924 C ASP D 44 -1.794 -14.614 6.504 1.00 0.00 C ATOM 1925 O ASP D 44 -1.778 -15.837 6.371 1.00 0.00 O ATOM 1926 CB ASP D 44 -3.079 -13.097 4.996 1.00 0.00 C ATOM 1927 CG ASP D 44 -3.157 -14.102 3.851 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -3.074 -15.289 4.123 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -3.295 -13.670 2.718 1.00 0.00 O ATOM 0 H ASP D 44 -3.440 -11.915 7.144 1.00 0.00 H new ATOM 0 HA ASP D 44 -3.933 -14.517 6.367 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.922 -12.408 4.943 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -2.172 -12.500 4.904 1.00 0.00 H new ATOM 1934 N ARG D 45 -0.714 -13.905 6.810 1.00 0.00 N ATOM 1935 CA ARG D 45 0.581 -14.551 7.007 1.00 0.00 C ATOM 1936 C ARG D 45 0.533 -15.504 8.199 1.00 0.00 C ATOM 1937 O ARG D 45 1.156 -16.566 8.180 1.00 0.00 O ATOM 1938 CB ARG D 45 1.674 -13.504 7.229 1.00 0.00 C ATOM 1939 CG ARG D 45 3.021 -14.214 7.404 1.00 0.00 C ATOM 1940 CD ARG D 45 4.155 -13.189 7.416 1.00 0.00 C ATOM 1941 NE ARG D 45 4.301 -12.587 6.096 1.00 0.00 N ATOM 1942 CZ ARG D 45 5.237 -11.677 5.855 1.00 0.00 C ATOM 1943 NH1 ARG D 45 6.056 -11.315 6.805 1.00 0.00 N ATOM 1944 NH2 ARG D 45 5.343 -11.151 4.666 1.00 0.00 N ATOM 0 H ARG D 45 -0.707 -12.892 6.927 1.00 0.00 H new ATOM 0 HA ARG D 45 0.812 -15.122 6.108 1.00 0.00 H new ATOM 0 HB2 ARG D 45 1.717 -12.820 6.382 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.447 -12.905 8.111 1.00 0.00 H new ATOM 0 HG2 ARG D 45 3.024 -14.782 8.334 1.00 0.00 H new ATOM 0 HG3 ARG D 45 3.173 -14.927 6.594 1.00 0.00 H new ATOM 0 HD2 ARG D 45 3.949 -12.416 8.156 1.00 0.00 H new ATOM 0 HD3 ARG D 45 5.088 -13.671 7.710 1.00 0.00 H new ATOM 0 HE ARG D 45 3.673 -12.870 5.344 1.00 0.00 H new ATOM 0 HH11 ARG D 45 5.977 -11.731 7.733 1.00 0.00 H new ATOM 0 HH12 ARG D 45 6.775 -10.616 6.619 1.00 0.00 H new ATOM 0 HH21 ARG D 45 4.707 -11.439 3.922 1.00 0.00 H new ATOM 0 HH22 ARG D 45 6.062 -10.452 4.480 1.00 0.00 H new