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= -4.24! C(o=-4.2!,f=-6.1!) USER MOD Single : A 37 HIS : no HD1:sc= -9.78! C(o=-9.8!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.1!) USER MOD Single : B 37 HIS : no HD1:sc= -9.17! C(o=-9.2!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -2.25 K(o=-2.2,f=-4.2!) USER MOD Single : C 37 HIS : no HD1:sc= -9.74! C(o=-9.7!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -1.85 K(o=-1.9,f=-3.4!) USER MOD Single : D 37 HIS : no HD1:sc= -8.74! C(o=-8.7!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 0.094 12.745 -5.767 1.00 0.00 N ATOM 108 CA VAL A 27 -0.334 12.124 -4.519 1.00 0.00 C ATOM 109 C VAL A 27 -1.772 11.620 -4.639 1.00 0.00 C ATOM 110 O VAL A 27 -2.111 10.551 -4.130 1.00 0.00 O ATOM 111 CB VAL A 27 -0.225 13.130 -3.365 1.00 0.00 C ATOM 112 CG1 VAL A 27 1.128 13.845 -3.440 1.00 0.00 C ATOM 113 CG2 VAL A 27 -1.356 14.165 -3.456 1.00 0.00 C ATOM 0 HA VAL A 27 0.317 11.275 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.308 12.596 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.208 14.560 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.931 13.113 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.209 14.372 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.268 14.873 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.285 14.700 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.319 13.658 -3.397 1.00 0.00 H new ATOM 123 N VAL A 28 -2.609 12.400 -5.315 1.00 0.00 N ATOM 124 CA VAL A 28 -4.006 12.029 -5.496 1.00 0.00 C ATOM 125 C VAL A 28 -4.114 10.715 -6.265 1.00 0.00 C ATOM 126 O VAL A 28 -4.892 9.834 -5.897 1.00 0.00 O ATOM 127 CB VAL A 28 -4.741 13.133 -6.259 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.178 12.692 -6.548 1.00 0.00 C ATOM 129 CG2 VAL A 28 -4.757 14.408 -5.415 1.00 0.00 C ATOM 0 H VAL A 28 -2.346 13.287 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.462 11.900 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.228 13.325 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.698 13.481 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.166 11.784 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.695 12.497 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.280 15.196 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.269 14.214 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.733 14.724 -5.214 1.00 0.00 H new ATOM 139 N ALA A 29 -3.333 10.591 -7.332 1.00 0.00 N ATOM 140 CA ALA A 29 -3.354 9.378 -8.141 1.00 0.00 C ATOM 141 C ALA A 29 -2.921 8.175 -7.310 1.00 0.00 C ATOM 142 O ALA A 29 -3.453 7.078 -7.467 1.00 0.00 O ATOM 143 CB ALA A 29 -2.419 9.532 -9.344 1.00 0.00 C ATOM 0 H ALA A 29 -2.683 11.308 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.373 9.217 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.442 8.621 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.746 10.374 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.402 9.711 -8.994 1.00 0.00 H new ATOM 149 N ALA A 30 -1.950 8.388 -6.428 1.00 0.00 N ATOM 150 CA ALA A 30 -1.452 7.310 -5.582 1.00 0.00 C ATOM 151 C ALA A 30 -2.564 6.767 -4.689 1.00 0.00 C ATOM 152 O ALA A 30 -2.665 5.559 -4.477 1.00 0.00 O ATOM 153 CB ALA A 30 -0.302 7.819 -4.712 1.00 0.00 C ATOM 0 H ALA A 30 -1.496 9.289 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.095 6.506 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.065 7.008 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.506 8.177 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.656 8.635 -4.082 1.00 0.00 H new ATOM 159 N ASN A 31 -3.394 7.664 -4.166 1.00 0.00 N ATOM 160 CA ASN A 31 -4.492 7.253 -3.298 1.00 0.00 C ATOM 161 C ASN A 31 -5.487 6.384 -4.059 1.00 0.00 C ATOM 162 O ASN A 31 -5.962 5.371 -3.545 1.00 0.00 O ATOM 163 CB ASN A 31 -5.209 8.488 -2.751 1.00 0.00 C ATOM 164 CG ASN A 31 -4.315 9.212 -1.751 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.512 8.581 -1.063 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.404 10.508 -1.631 1.00 0.00 N ATOM 0 H ASN A 31 -3.329 8.669 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.079 6.672 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.470 9.159 -3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.142 8.193 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.808 11.001 -0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.070 11.029 -2.202 1.00 0.00 H new ATOM 173 N ILE A 32 -5.797 6.783 -5.288 1.00 0.00 N ATOM 174 CA ILE A 32 -6.736 6.032 -6.113 1.00 0.00 C ATOM 175 C ILE A 32 -6.170 4.655 -6.448 1.00 0.00 C ATOM 176 O ILE A 32 -6.879 3.651 -6.398 1.00 0.00 O ATOM 177 CB ILE A 32 -7.035 6.803 -7.403 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.805 8.080 -7.059 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.886 5.936 -8.336 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.858 8.990 -8.289 1.00 0.00 C ATOM 0 H ILE A 32 -5.414 7.617 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.662 5.901 -5.553 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.098 7.058 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.815 7.832 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.321 8.598 -6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.097 6.487 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.344 5.022 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.823 5.681 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.406 9.900 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.844 9.248 -8.595 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.361 8.471 -9.104 1.00 0.00 H new ATOM 192 N ILE A 33 -4.889 4.620 -6.792 1.00 0.00 N ATOM 193 CA ILE A 33 -4.234 3.366 -7.142 1.00 0.00 C ATOM 194 C ILE A 33 -4.240 2.398 -5.957 1.00 0.00 C ATOM 195 O ILE A 33 -4.509 1.209 -6.122 1.00 0.00 O ATOM 196 CB ILE A 33 -2.791 3.647 -7.586 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.801 4.383 -8.931 1.00 0.00 C ATOM 198 CG2 ILE A 33 -2.028 2.331 -7.728 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.395 4.900 -9.248 1.00 0.00 C ATOM 0 H ILE A 33 -4.285 5.441 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.783 2.902 -7.961 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.300 4.268 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.139 3.712 -9.721 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.505 5.214 -8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.005 2.536 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.015 1.812 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.519 1.705 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.407 5.422 -10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.074 5.586 -8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.702 4.060 -9.301 1.00 0.00 H new ATOM 211 N GLY A 34 -3.942 2.910 -4.767 1.00 0.00 N ATOM 212 CA GLY A 34 -3.918 2.068 -3.574 1.00 0.00 C ATOM 213 C GLY A 34 -5.293 1.457 -3.307 1.00 0.00 C ATOM 214 O GLY A 34 -5.406 0.278 -2.964 1.00 0.00 O ATOM 0 H GLY A 34 -3.716 3.891 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.182 1.274 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.606 2.659 -2.713 1.00 0.00 H new ATOM 218 N ILE A 35 -6.334 2.267 -3.467 1.00 0.00 N ATOM 219 CA ILE A 35 -7.701 1.803 -3.243 1.00 0.00 C ATOM 220 C ILE A 35 -8.060 0.710 -4.248 1.00 0.00 C ATOM 221 O ILE A 35 -8.657 -0.310 -3.895 1.00 0.00 O ATOM 222 CB ILE A 35 -8.670 2.981 -3.376 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.424 3.961 -2.224 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.112 2.470 -3.307 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.129 5.288 -2.512 1.00 0.00 C ATOM 0 H ILE A 35 -6.260 3.244 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.777 1.387 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.510 3.482 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.793 3.538 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.354 4.127 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.801 3.310 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.287 1.764 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.276 1.972 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.951 5.981 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.739 5.714 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.200 5.116 -2.615 1.00 0.00 H new ATOM 237 N LEU A 36 -7.680 0.929 -5.503 1.00 0.00 N ATOM 238 CA LEU A 36 -7.955 -0.039 -6.557 1.00 0.00 C ATOM 239 C LEU A 36 -7.257 -1.357 -6.248 1.00 0.00 C ATOM 240 O LEU A 36 -7.798 -2.431 -6.507 1.00 0.00 O ATOM 241 CB LEU A 36 -7.478 0.499 -7.908 1.00 0.00 C ATOM 242 CG LEU A 36 -8.369 1.671 -8.352 1.00 0.00 C ATOM 243 CD1 LEU A 36 -7.701 2.387 -9.530 1.00 0.00 C ATOM 244 CD2 LEU A 36 -9.767 1.168 -8.775 1.00 0.00 C ATOM 0 H LEU A 36 -7.183 1.764 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.031 -0.208 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.442 0.828 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.507 -0.294 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.492 2.359 -7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.326 3.220 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.726 2.763 -9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.575 1.688 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.380 2.014 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.666 0.469 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.243 0.665 -7.933 1.00 0.00 H new ATOM 256 N HIS A 37 -6.054 -1.268 -5.689 1.00 0.00 N ATOM 257 CA HIS A 37 -5.298 -2.465 -5.347 1.00 0.00 C ATOM 258 C HIS A 37 -6.100 -3.327 -4.383 1.00 0.00 C ATOM 259 O HIS A 37 -6.144 -4.549 -4.520 1.00 0.00 O ATOM 260 CB HIS A 37 -3.974 -2.084 -4.682 1.00 0.00 C ATOM 261 CG HIS A 37 -3.191 -3.339 -4.400 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.961 -3.593 -4.980 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.459 -4.429 -3.612 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.546 -4.795 -4.542 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.421 -5.346 -3.704 1.00 0.00 N ATOM 0 H HIS A 37 -5.587 -0.389 -5.466 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.099 -3.020 -6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.403 -1.421 -5.332 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.160 -1.540 -3.756 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.346 -4.555 -3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.615 -5.257 -4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.345 -6.247 -3.232 1.00 0.00 H new ATOM 273 N LEU A 38 -6.728 -2.685 -3.407 1.00 0.00 N ATOM 274 CA LEU A 38 -7.521 -3.411 -2.423 1.00 0.00 C ATOM 275 C LEU A 38 -8.659 -4.166 -3.094 1.00 0.00 C ATOM 276 O LEU A 38 -8.967 -5.289 -2.709 1.00 0.00 O ATOM 277 CB LEU A 38 -8.081 -2.437 -1.363 1.00 0.00 C ATOM 278 CG LEU A 38 -7.086 -2.289 -0.193 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.329 -0.965 0.533 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.267 -3.450 0.803 1.00 0.00 C ATOM 0 H LEU A 38 -6.705 -1.674 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.872 -4.135 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.267 -1.463 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.038 -2.804 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.072 -2.307 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.623 -0.867 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.191 -0.138 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.347 -0.945 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.561 -3.337 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.284 -3.438 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.084 -4.397 0.295 1.00 0.00 H new ATOM 292 N ILE A 39 -9.290 -3.551 -4.085 1.00 0.00 N ATOM 293 CA ILE A 39 -10.400 -4.205 -4.763 1.00 0.00 C ATOM 294 C ILE A 39 -9.952 -5.527 -5.391 1.00 0.00 C ATOM 295 O ILE A 39 -10.597 -6.558 -5.208 1.00 0.00 O ATOM 296 CB ILE A 39 -10.954 -3.284 -5.854 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.358 -1.947 -5.223 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.180 -3.930 -6.505 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.778 -0.957 -6.316 1.00 0.00 C ATOM 0 H ILE A 39 -9.059 -2.620 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.177 -4.414 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.190 -3.120 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.180 -2.099 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.525 -1.539 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.570 -3.271 -7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.896 -4.884 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.948 -4.096 -5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.063 -0.010 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.944 -0.794 -6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.625 -1.363 -6.869 1.00 0.00 H new ATOM 311 N LEU A 40 -8.851 -5.492 -6.134 1.00 0.00 N ATOM 312 CA LEU A 40 -8.343 -6.702 -6.775 1.00 0.00 C ATOM 313 C LEU A 40 -7.758 -7.679 -5.747 1.00 0.00 C ATOM 314 O LEU A 40 -7.985 -8.887 -5.832 1.00 0.00 O ATOM 315 CB LEU A 40 -7.277 -6.324 -7.817 1.00 0.00 C ATOM 316 CG LEU A 40 -7.961 -5.874 -9.113 1.00 0.00 C ATOM 317 CD1 LEU A 40 -8.896 -4.700 -8.818 1.00 0.00 C ATOM 318 CD2 LEU A 40 -6.898 -5.436 -10.124 1.00 0.00 C ATOM 0 H LEU A 40 -8.299 -4.652 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.175 -7.203 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.644 -5.524 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.628 -7.177 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.538 -6.702 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.382 -4.381 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.653 -5.010 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.320 -3.871 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.383 -5.116 -11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.322 -4.608 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.231 -6.272 -10.336 1.00 0.00 H new ATOM 330 N TRP A 41 -6.991 -7.155 -4.794 1.00 0.00 N ATOM 331 CA TRP A 41 -6.366 -7.997 -3.774 1.00 0.00 C ATOM 332 C TRP A 41 -7.408 -8.640 -2.857 1.00 0.00 C ATOM 333 O TRP A 41 -7.354 -9.843 -2.598 1.00 0.00 O ATOM 334 CB TRP A 41 -5.378 -7.162 -2.951 1.00 0.00 C ATOM 335 CG TRP A 41 -4.878 -7.948 -1.777 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.842 -8.819 -1.798 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.359 -7.921 -0.406 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.675 -9.344 -0.529 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.583 -8.815 0.365 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.389 -7.214 0.236 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.822 -8.997 1.727 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.626 -7.392 1.606 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.844 -8.283 2.347 1.00 0.00 C ATOM 0 H TRP A 41 -6.788 -6.159 -4.706 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.832 -8.802 -4.279 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.539 -6.859 -3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.864 -6.250 -2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.244 -9.064 -2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.968 -10.037 -0.284 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -7.003 -6.529 -0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.218 -9.687 2.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.416 -6.838 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.033 -8.418 3.402 1.00 0.00 H new ATOM 354 N ILE A 42 -8.343 -7.839 -2.359 1.00 0.00 N ATOM 355 CA ILE A 42 -9.372 -8.360 -1.463 1.00 0.00 C ATOM 356 C ILE A 42 -10.265 -9.345 -2.215 1.00 0.00 C ATOM 357 O ILE A 42 -10.666 -10.376 -1.673 1.00 0.00 O ATOM 358 CB ILE A 42 -10.212 -7.205 -0.885 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.969 -7.683 0.360 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.227 -6.707 -1.926 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.658 -6.486 1.017 1.00 0.00 C ATOM 0 H ILE A 42 -8.411 -6.840 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.891 -8.882 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.539 -6.390 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.706 -8.437 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.280 -8.152 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.812 -5.891 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.697 -6.352 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.892 -7.524 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.198 -6.819 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.909 -5.748 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.358 -6.037 0.312 1.00 0.00 H new ATOM 373 N LEU A 43 -10.575 -9.013 -3.464 1.00 0.00 N ATOM 374 CA LEU A 43 -11.422 -9.863 -4.288 1.00 0.00 C ATOM 375 C LEU A 43 -10.772 -11.224 -4.501 1.00 0.00 C ATOM 376 O LEU A 43 -11.443 -12.254 -4.455 1.00 0.00 O ATOM 377 CB LEU A 43 -11.687 -9.188 -5.641 1.00 0.00 C ATOM 378 CG LEU A 43 -12.533 -10.119 -6.558 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.579 -9.298 -7.326 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.621 -10.834 -7.571 1.00 0.00 C ATOM 0 H LEU A 43 -10.252 -8.163 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.370 -10.011 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.212 -8.245 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.741 -8.951 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.034 -10.856 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.164 -9.960 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.240 -8.798 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.076 -8.552 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.223 -11.483 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.110 -10.094 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.883 -11.433 -7.037 1.00 0.00 H new ATOM 392 N ASP A 44 -9.464 -11.225 -4.737 1.00 0.00 N ATOM 393 CA ASP A 44 -8.752 -12.476 -4.956 1.00 0.00 C ATOM 394 C ASP A 44 -8.920 -13.397 -3.751 1.00 0.00 C ATOM 395 O ASP A 44 -9.241 -14.575 -3.900 1.00 0.00 O ATOM 396 CB ASP A 44 -7.262 -12.203 -5.188 1.00 0.00 C ATOM 397 CG ASP A 44 -6.525 -13.514 -5.444 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.148 -14.555 -5.310 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.352 -13.458 -5.771 1.00 0.00 O ATOM 0 H ASP A 44 -8.884 -10.387 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.169 -12.961 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.135 -11.533 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.836 -11.701 -4.319 1.00 0.00 H new ATOM 404 N ARG A 45 -8.708 -12.850 -2.557 1.00 0.00 N ATOM 405 CA ARG A 45 -8.846 -13.638 -1.336 1.00 0.00 C ATOM 406 C ARG A 45 -10.317 -13.853 -0.981 1.00 0.00 C ATOM 407 O ARG A 45 -10.655 -14.775 -0.239 1.00 0.00 O ATOM 408 CB ARG A 45 -8.133 -12.946 -0.172 1.00 0.00 C ATOM 409 CG ARG A 45 -6.619 -13.048 -0.365 1.00 0.00 C ATOM 410 CD ARG A 45 -5.907 -12.365 0.802 1.00 0.00 C ATOM 411 NE ARG A 45 -4.463 -12.485 0.653 1.00 0.00 N ATOM 412 CZ ARG A 45 -3.650 -12.314 1.689 1.00 0.00 C ATOM 413 NH1 ARG A 45 -4.142 -12.040 2.866 1.00 0.00 N ATOM 414 NH2 ARG A 45 -2.360 -12.427 1.533 1.00 0.00 N ATOM 0 H ARG A 45 -8.443 -11.876 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.387 -14.610 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.433 -11.900 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.422 -13.409 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.319 -14.094 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.330 -12.579 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.189 -11.313 0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.221 -12.816 1.743 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.070 -12.704 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.151 -11.957 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.518 -11.909 3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.975 -12.647 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.737 -12.295 2.329 1.00 0.00 H new ATOM 617 N VAL B 27 6.854 11.937 1.091 1.00 0.00 N ATOM 618 CA VAL B 27 5.549 11.490 0.621 1.00 0.00 C ATOM 619 C VAL B 27 5.620 11.092 -0.850 1.00 0.00 C ATOM 620 O VAL B 27 5.001 10.115 -1.273 1.00 0.00 O ATOM 621 CB VAL B 27 4.512 12.604 0.819 1.00 0.00 C ATOM 622 CG1 VAL B 27 4.664 13.192 2.223 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.719 13.710 -0.228 1.00 0.00 C ATOM 0 HA VAL B 27 5.248 10.617 1.201 1.00 0.00 H new ATOM 0 HB VAL B 27 3.511 12.188 0.701 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.929 13.984 2.367 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.505 12.409 2.965 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.667 13.603 2.339 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.978 14.496 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.719 14.130 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL B 27 4.606 13.290 -1.228 1.00 0.00 H new ATOM 633 N VAL B 28 6.378 11.859 -1.627 1.00 0.00 N ATOM 634 CA VAL B 28 6.525 11.585 -3.050 1.00 0.00 C ATOM 635 C VAL B 28 7.148 10.208 -3.265 1.00 0.00 C ATOM 636 O VAL B 28 6.690 9.436 -4.108 1.00 0.00 O ATOM 637 CB VAL B 28 7.405 12.655 -3.698 1.00 0.00 C ATOM 638 CG1 VAL B 28 7.652 12.303 -5.167 1.00 0.00 C ATOM 639 CG2 VAL B 28 6.703 14.013 -3.609 1.00 0.00 C ATOM 0 H VAL B 28 6.898 12.672 -1.296 1.00 0.00 H new ATOM 0 HA VAL B 28 5.538 11.601 -3.511 1.00 0.00 H new ATOM 0 HB VAL B 28 8.360 12.702 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.279 13.068 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.153 11.337 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL B 28 6.699 12.252 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.329 14.777 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.747 13.963 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.533 14.267 -2.563 1.00 0.00 H new ATOM 649 N ALA B 29 8.191 9.909 -2.502 1.00 0.00 N ATOM 650 CA ALA B 29 8.866 8.621 -2.622 1.00 0.00 C ATOM 651 C ALA B 29 7.909 7.483 -2.282 1.00 0.00 C ATOM 652 O ALA B 29 7.948 6.422 -2.902 1.00 0.00 O ATOM 653 CB ALA B 29 10.074 8.568 -1.681 1.00 0.00 C ATOM 0 H ALA B 29 8.586 10.534 -1.799 1.00 0.00 H new ATOM 0 HA ALA B 29 9.204 8.507 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.570 7.602 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.773 9.363 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.740 8.701 -0.652 1.00 0.00 H new ATOM 659 N ALA B 30 7.050 7.713 -1.295 1.00 0.00 N ATOM 660 CA ALA B 30 6.090 6.696 -0.880 1.00 0.00 C ATOM 661 C ALA B 30 5.149 6.343 -2.030 1.00 0.00 C ATOM 662 O ALA B 30 4.809 5.176 -2.226 1.00 0.00 O ATOM 663 CB ALA B 30 5.276 7.204 0.310 1.00 0.00 C ATOM 0 H ALA B 30 6.998 8.587 -0.771 1.00 0.00 H new ATOM 0 HA ALA B 30 6.640 5.801 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.561 6.440 0.615 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.946 7.426 1.141 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.740 8.109 0.024 1.00 0.00 H new ATOM 669 N ASN B 31 4.730 7.355 -2.782 1.00 0.00 N ATOM 670 CA ASN B 31 3.826 7.129 -3.905 1.00 0.00 C ATOM 671 C ASN B 31 4.493 6.265 -4.972 1.00 0.00 C ATOM 672 O ASN B 31 3.875 5.356 -5.526 1.00 0.00 O ATOM 673 CB ASN B 31 3.416 8.468 -4.520 1.00 0.00 C ATOM 674 CG ASN B 31 2.493 9.220 -3.567 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.740 8.603 -2.813 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.511 10.525 -3.554 1.00 0.00 N ATOM 0 H ASN B 31 4.997 8.329 -2.638 1.00 0.00 H new ATOM 0 HA ASN B 31 2.943 6.609 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.302 9.067 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN B 31 2.911 8.301 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.900 11.037 -2.918 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.136 11.033 -4.180 1.00 0.00 H new ATOM 683 N ILE B 32 5.759 6.552 -5.253 1.00 0.00 N ATOM 684 CA ILE B 32 6.504 5.793 -6.252 1.00 0.00 C ATOM 685 C ILE B 32 6.685 4.348 -5.800 1.00 0.00 C ATOM 686 O ILE B 32 6.532 3.417 -6.588 1.00 0.00 O ATOM 687 CB ILE B 32 7.871 6.442 -6.492 1.00 0.00 C ATOM 688 CG1 ILE B 32 7.672 7.806 -7.157 1.00 0.00 C ATOM 689 CG2 ILE B 32 8.710 5.550 -7.416 1.00 0.00 C ATOM 690 CD1 ILE B 32 8.990 8.579 -7.142 1.00 0.00 C ATOM 0 H ILE B 32 6.289 7.300 -4.806 1.00 0.00 H new ATOM 0 HA ILE B 32 5.938 5.797 -7.184 1.00 0.00 H new ATOM 0 HB ILE B 32 8.386 6.565 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.327 7.675 -8.183 1.00 0.00 H new ATOM 0 HG13 ILE B 32 6.902 8.370 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE B 32 9.682 6.014 -7.585 1.00 0.00 H new ATOM 0 HG22 ILE B 32 8.850 4.574 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.195 5.428 -8.369 1.00 0.00 H new ATOM 0 HD11 ILE B 32 8.848 9.550 -7.616 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.316 8.722 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE B 32 9.748 8.017 -7.688 1.00 0.00 H new ATOM 702 N ILE B 33 7.019 4.172 -4.526 1.00 0.00 N ATOM 703 CA ILE B 33 7.230 2.838 -3.975 1.00 0.00 C ATOM 704 C ILE B 33 5.947 2.008 -4.055 1.00 0.00 C ATOM 705 O ILE B 33 5.983 0.832 -4.419 1.00 0.00 O ATOM 706 CB ILE B 33 7.696 2.951 -2.519 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.111 3.539 -2.479 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.697 1.569 -1.864 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.481 3.905 -1.037 1.00 0.00 C ATOM 0 H ILE B 33 7.149 4.932 -3.858 1.00 0.00 H new ATOM 0 HA ILE B 33 7.998 2.334 -4.562 1.00 0.00 H new ATOM 0 HB ILE B 33 7.014 3.604 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.826 2.818 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.165 4.423 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.029 1.657 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.689 1.154 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.373 0.909 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.488 4.322 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.774 4.642 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.445 3.011 -0.414 1.00 0.00 H new ATOM 721 N GLY B 34 4.820 2.618 -3.712 1.00 0.00 N ATOM 722 CA GLY B 34 3.542 1.913 -3.750 1.00 0.00 C ATOM 723 C GLY B 34 3.216 1.445 -5.167 1.00 0.00 C ATOM 724 O GLY B 34 2.752 0.321 -5.373 1.00 0.00 O ATOM 0 H GLY B 34 4.762 3.590 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.576 1.055 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.750 2.569 -3.389 1.00 0.00 H new ATOM 728 N ILE B 35 3.465 2.314 -6.143 1.00 0.00 N ATOM 729 CA ILE B 35 3.199 1.988 -7.539 1.00 0.00 C ATOM 730 C ILE B 35 4.083 0.826 -7.989 1.00 0.00 C ATOM 731 O ILE B 35 3.625 -0.099 -8.665 1.00 0.00 O ATOM 732 CB ILE B 35 3.457 3.219 -8.411 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.413 4.293 -8.083 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.343 2.836 -9.890 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.849 5.635 -8.670 1.00 0.00 C ATOM 0 H ILE B 35 3.850 3.247 -5.993 1.00 0.00 H new ATOM 0 HA ILE B 35 2.156 1.688 -7.643 1.00 0.00 H new ATOM 0 HB ILE B 35 4.458 3.602 -8.214 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.443 4.006 -8.489 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.294 4.380 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.527 3.714 -10.509 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.079 2.066 -10.124 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.342 2.454 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.104 6.395 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.809 5.924 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.945 5.545 -9.752 1.00 0.00 H new ATOM 747 N LEU B 36 5.353 0.879 -7.599 1.00 0.00 N ATOM 748 CA LEU B 36 6.298 -0.171 -7.955 1.00 0.00 C ATOM 749 C LEU B 36 5.848 -1.500 -7.363 1.00 0.00 C ATOM 750 O LEU B 36 5.991 -2.550 -7.991 1.00 0.00 O ATOM 751 CB LEU B 36 7.696 0.178 -7.443 1.00 0.00 C ATOM 752 CG LEU B 36 8.267 1.363 -8.239 1.00 0.00 C ATOM 753 CD1 LEU B 36 9.514 1.891 -7.521 1.00 0.00 C ATOM 754 CD2 LEU B 36 8.639 0.929 -9.674 1.00 0.00 C ATOM 0 H LEU B 36 5.749 1.634 -7.039 1.00 0.00 H new ATOM 0 HA LEU B 36 6.332 -0.257 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU B 36 7.652 0.429 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU B 36 8.354 -0.686 -7.539 1.00 0.00 H new ATOM 0 HG LEU B 36 7.511 2.146 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.926 2.732 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU B 36 9.244 2.218 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU B 36 10.259 1.098 -7.456 1.00 0.00 H new ATOM 0 HD21 LEU B 36 9.041 1.783 -10.220 1.00 0.00 H new ATOM 0 HD22 LEU B 36 9.389 0.139 -9.632 1.00 0.00 H new ATOM 0 HD23 LEU B 36 7.750 0.558 -10.184 1.00 0.00 H new ATOM 766 N HIS B 37 5.299 -1.449 -6.154 1.00 0.00 N ATOM 767 CA HIS B 37 4.827 -2.660 -5.495 1.00 0.00 C ATOM 768 C HIS B 37 3.780 -3.345 -6.355 1.00 0.00 C ATOM 769 O HIS B 37 3.782 -4.567 -6.498 1.00 0.00 O ATOM 770 CB HIS B 37 4.210 -2.320 -4.138 1.00 0.00 C ATOM 771 CG HIS B 37 3.791 -3.594 -3.459 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.343 -4.013 -2.260 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.885 -4.564 -3.808 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.772 -5.186 -1.938 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.874 -5.567 -2.846 1.00 0.00 N ATOM 0 H HIS B 37 5.171 -0.592 -5.616 1.00 0.00 H new ATOM 0 HA HIS B 37 5.678 -3.326 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS B 37 4.930 -1.783 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.350 -1.663 -4.269 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.272 -4.550 -4.697 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.012 -5.752 -1.050 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.302 -6.412 -2.837 1.00 0.00 H new ATOM 783 N LEU B 38 2.884 -2.554 -6.930 1.00 0.00 N ATOM 784 CA LEU B 38 1.830 -3.103 -7.776 1.00 0.00 C ATOM 785 C LEU B 38 2.422 -3.834 -8.973 1.00 0.00 C ATOM 786 O LEU B 38 1.916 -4.881 -9.365 1.00 0.00 O ATOM 787 CB LEU B 38 0.892 -1.977 -8.253 1.00 0.00 C ATOM 788 CG LEU B 38 -0.275 -1.794 -7.261 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.846 -0.383 -7.382 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.385 -2.818 -7.564 1.00 0.00 C ATOM 0 H LEU B 38 2.864 -1.539 -6.828 1.00 0.00 H new ATOM 0 HA LEU B 38 1.256 -3.819 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.449 -1.045 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.503 -2.214 -9.243 1.00 0.00 H new ATOM 0 HG LEU B 38 0.097 -1.949 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.670 -0.262 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.067 0.345 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.210 -0.224 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.206 -2.683 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.750 -2.669 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.985 -3.827 -7.467 1.00 0.00 H new ATOM 802 N ILE B 39 3.472 -3.281 -9.557 1.00 0.00 N ATOM 803 CA ILE B 39 4.081 -3.915 -10.720 1.00 0.00 C ATOM 804 C ILE B 39 4.558 -5.327 -10.378 1.00 0.00 C ATOM 805 O ILE B 39 4.270 -6.278 -11.101 1.00 0.00 O ATOM 806 CB ILE B 39 5.266 -3.074 -11.201 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.786 -1.651 -11.494 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.849 -3.687 -12.477 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.980 -0.753 -11.837 1.00 0.00 C ATOM 0 H ILE B 39 3.915 -2.413 -9.255 1.00 0.00 H new ATOM 0 HA ILE B 39 3.334 -3.983 -11.511 1.00 0.00 H new ATOM 0 HB ILE B 39 6.035 -3.052 -10.428 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.078 -1.661 -12.323 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.257 -1.252 -10.628 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.692 -3.086 -12.817 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.187 -4.703 -12.271 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.083 -3.709 -13.253 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.628 0.258 -12.044 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.672 -0.731 -10.995 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.490 -1.146 -12.716 1.00 0.00 H new ATOM 821 N LEU B 40 5.297 -5.460 -9.283 1.00 0.00 N ATOM 822 CA LEU B 40 5.800 -6.767 -8.873 1.00 0.00 C ATOM 823 C LEU B 40 4.669 -7.673 -8.364 1.00 0.00 C ATOM 824 O LEU B 40 4.623 -8.859 -8.691 1.00 0.00 O ATOM 825 CB LEU B 40 6.872 -6.590 -7.785 1.00 0.00 C ATOM 826 CG LEU B 40 8.211 -6.231 -8.435 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.048 -4.961 -9.275 1.00 0.00 C ATOM 828 CD2 LEU B 40 9.260 -5.991 -7.347 1.00 0.00 C ATOM 0 H LEU B 40 5.559 -4.689 -8.669 1.00 0.00 H new ATOM 0 HA LEU B 40 6.241 -7.251 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.572 -5.806 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.972 -7.508 -7.206 1.00 0.00 H new ATOM 0 HG LEU B 40 8.534 -7.052 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.001 -4.706 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.302 -5.132 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.724 -4.140 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU B 40 10.213 -5.736 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.937 -5.171 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU B 40 9.378 -6.895 -6.750 1.00 0.00 H new ATOM 840 N TRP B 41 3.774 -7.113 -7.552 1.00 0.00 N ATOM 841 CA TRP B 41 2.666 -7.888 -6.992 1.00 0.00 C ATOM 842 C TRP B 41 1.690 -8.342 -8.078 1.00 0.00 C ATOM 843 O TRP B 41 1.304 -9.510 -8.122 1.00 0.00 O ATOM 844 CB TRP B 41 1.933 -7.048 -5.936 1.00 0.00 C ATOM 845 CG TRP B 41 0.676 -7.739 -5.494 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.594 -8.680 -4.524 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.683 -7.527 -5.967 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.726 -9.071 -4.391 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.551 -8.382 -5.255 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.237 -6.681 -6.940 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.921 -8.398 -5.500 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.618 -6.690 -7.185 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.456 -7.546 -6.466 1.00 0.00 C ATOM 0 H TRP B 41 3.793 -6.133 -7.268 1.00 0.00 H new ATOM 0 HA TRP B 41 3.078 -8.783 -6.527 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.585 -6.882 -5.078 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.691 -6.068 -6.346 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.424 -9.063 -3.948 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -1.049 -9.782 -3.735 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.596 -6.019 -7.504 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.565 -9.065 -4.946 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.036 -6.032 -7.933 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.519 -7.548 -6.658 1.00 0.00 H new ATOM 864 N ILE B 42 1.286 -7.420 -8.944 1.00 0.00 N ATOM 865 CA ILE B 42 0.346 -7.758 -10.009 1.00 0.00 C ATOM 866 C ILE B 42 0.991 -8.742 -10.981 1.00 0.00 C ATOM 867 O ILE B 42 0.345 -9.675 -11.461 1.00 0.00 O ATOM 868 CB ILE B 42 -0.100 -6.485 -10.753 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.387 -6.764 -11.540 1.00 0.00 C ATOM 870 CG2 ILE B 42 0.991 -6.021 -11.729 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.908 -5.450 -12.128 1.00 0.00 C ATOM 0 H ILE B 42 1.588 -6.446 -8.932 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.534 -8.226 -9.567 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.278 -5.703 -10.015 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.193 -7.482 -12.337 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.138 -7.208 -10.887 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.658 -5.121 -12.245 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.906 -5.805 -11.177 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.185 -6.807 -12.459 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.823 -5.640 -12.689 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.116 -4.748 -11.321 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.156 -5.026 -12.793 1.00 0.00 H new ATOM 883 N LEU B 43 2.270 -8.522 -11.268 1.00 0.00 N ATOM 884 CA LEU B 43 3.000 -9.385 -12.185 1.00 0.00 C ATOM 885 C LEU B 43 3.063 -10.810 -11.646 1.00 0.00 C ATOM 886 O LEU B 43 2.912 -11.772 -12.397 1.00 0.00 O ATOM 887 CB LEU B 43 4.420 -8.843 -12.401 1.00 0.00 C ATOM 888 CG LEU B 43 5.235 -9.796 -13.322 1.00 0.00 C ATOM 889 CD1 LEU B 43 6.092 -8.982 -14.303 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.163 -10.686 -12.475 1.00 0.00 C ATOM 0 H LEU B 43 2.820 -7.756 -10.879 1.00 0.00 H new ATOM 0 HA LEU B 43 2.474 -9.398 -13.139 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.372 -7.850 -12.848 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.925 -8.737 -11.441 1.00 0.00 H new ATOM 0 HG LEU B 43 4.533 -10.418 -13.877 1.00 0.00 H new ATOM 0 HD11 LEU B 43 6.657 -9.661 -14.942 1.00 0.00 H new ATOM 0 HD12 LEU B 43 5.445 -8.358 -14.919 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.782 -8.349 -13.745 1.00 0.00 H new ATOM 0 HD21 LEU B 43 6.729 -11.349 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.853 -10.059 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU B 43 5.566 -11.281 -11.784 1.00 0.00 H new ATOM 902 N ASP B 44 3.292 -10.941 -10.344 1.00 0.00 N ATOM 903 CA ASP B 44 3.372 -12.261 -9.732 1.00 0.00 C ATOM 904 C ASP B 44 2.076 -13.029 -9.971 1.00 0.00 C ATOM 905 O ASP B 44 2.100 -14.188 -10.388 1.00 0.00 O ATOM 906 CB ASP B 44 3.623 -12.130 -8.227 1.00 0.00 C ATOM 907 CG ASP B 44 3.732 -13.514 -7.599 1.00 0.00 C ATOM 908 OD1 ASP B 44 3.483 -14.481 -8.300 1.00 0.00 O ATOM 909 OD2 ASP B 44 4.064 -13.588 -6.427 1.00 0.00 O ATOM 0 H ASP B 44 3.424 -10.161 -9.700 1.00 0.00 H new ATOM 0 HA ASP B 44 4.200 -12.806 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.539 -11.567 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.811 -11.572 -7.761 1.00 0.00 H new ATOM 914 N ARG B 45 0.946 -12.377 -9.709 1.00 0.00 N ATOM 915 CA ARG B 45 -0.351 -13.017 -9.907 1.00 0.00 C ATOM 916 C ARG B 45 -0.721 -13.072 -11.389 1.00 0.00 C ATOM 917 O ARG B 45 -1.556 -13.881 -11.797 1.00 0.00 O ATOM 918 CB ARG B 45 -1.437 -12.262 -9.136 1.00 0.00 C ATOM 919 CG ARG B 45 -1.262 -12.503 -7.636 1.00 0.00 C ATOM 920 CD ARG B 45 -2.353 -11.758 -6.866 1.00 0.00 C ATOM 921 NE ARG B 45 -2.223 -12.009 -5.436 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.237 -11.791 -4.607 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.374 -11.349 -5.070 1.00 0.00 N ATOM 924 NH2 ARG B 45 -3.099 -12.025 -3.333 1.00 0.00 N ATOM 0 H ARG B 45 0.901 -11.418 -9.364 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.279 -14.037 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.376 -11.195 -9.353 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.424 -12.597 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.315 -13.570 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.278 -12.161 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.281 -10.688 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.336 -12.080 -7.211 1.00 0.00 H new ATOM 0 HE ARG B 45 -1.339 -12.358 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.484 -11.171 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -5.153 -11.181 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -2.212 -12.376 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.878 -11.857 -2.696 1.00 0.00 H new ATOM 1127 N VAL C 27 0.533 11.338 8.067 1.00 0.00 N ATOM 1128 CA VAL C 27 0.919 10.954 6.715 1.00 0.00 C ATOM 1129 C VAL C 27 2.330 10.371 6.708 1.00 0.00 C ATOM 1130 O VAL C 27 2.612 9.409 5.994 1.00 0.00 O ATOM 1131 CB VAL C 27 0.844 12.167 5.780 1.00 0.00 C ATOM 1132 CG1 VAL C 27 -0.472 12.912 6.022 1.00 0.00 C ATOM 1133 CG2 VAL C 27 2.025 13.115 6.041 1.00 0.00 C ATOM 0 HA VAL C 27 0.226 10.191 6.360 1.00 0.00 H new ATOM 0 HB VAL C 27 0.890 11.823 4.747 1.00 0.00 H new ATOM 0 HG11 VAL C 27 -0.529 13.775 5.359 1.00 0.00 H new ATOM 0 HG12 VAL C 27 -1.310 12.245 5.821 1.00 0.00 H new ATOM 0 HG13 VAL C 27 -0.515 13.247 7.058 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.959 13.972 5.370 1.00 0.00 H new ATOM 0 HG22 VAL C 27 1.993 13.460 7.074 1.00 0.00 H new ATOM 0 HG23 VAL C 27 2.962 12.587 5.864 1.00 0.00 H new ATOM 1143 N VAL C 28 3.207 10.960 7.509 1.00 0.00 N ATOM 1144 CA VAL C 28 4.587 10.498 7.589 1.00 0.00 C ATOM 1145 C VAL C 28 4.635 9.054 8.082 1.00 0.00 C ATOM 1146 O VAL C 28 5.362 8.225 7.534 1.00 0.00 O ATOM 1147 CB VAL C 28 5.382 11.393 8.539 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.797 10.837 8.708 1.00 0.00 C ATOM 1149 CG2 VAL C 28 5.454 12.808 7.960 1.00 0.00 C ATOM 0 H VAL C 28 2.990 11.755 8.110 1.00 0.00 H new ATOM 0 HA VAL C 28 5.029 10.546 6.594 1.00 0.00 H new ATOM 0 HB VAL C 28 4.888 11.420 9.510 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.361 11.478 9.386 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.745 9.829 9.120 1.00 0.00 H new ATOM 0 HG13 VAL C 28 7.295 10.808 7.739 1.00 0.00 H new ATOM 0 HG21 VAL C 28 6.021 13.449 8.635 1.00 0.00 H new ATOM 0 HG22 VAL C 28 5.947 12.779 6.988 1.00 0.00 H new ATOM 0 HG23 VAL C 28 4.446 13.205 7.843 1.00 0.00 H new ATOM 1159 N ALA C 29 3.857 8.760 9.119 1.00 0.00 N ATOM 1160 CA ALA C 29 3.822 7.411 9.675 1.00 0.00 C ATOM 1161 C ALA C 29 3.323 6.417 8.632 1.00 0.00 C ATOM 1162 O ALA C 29 3.800 5.286 8.563 1.00 0.00 O ATOM 1163 CB ALA C 29 2.905 7.371 10.901 1.00 0.00 C ATOM 0 H ALA C 29 3.248 9.430 9.588 1.00 0.00 H new ATOM 0 HA ALA C 29 4.834 7.135 9.972 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.886 6.360 11.308 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.279 8.060 11.658 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.896 7.664 10.611 1.00 0.00 H new ATOM 1169 N ALA C 30 2.356 6.844 7.827 1.00 0.00 N ATOM 1170 CA ALA C 30 1.798 5.977 6.797 1.00 0.00 C ATOM 1171 C ALA C 30 2.873 5.567 5.795 1.00 0.00 C ATOM 1172 O ALA C 30 2.912 4.421 5.350 1.00 0.00 O ATOM 1173 CB ALA C 30 0.666 6.700 6.063 1.00 0.00 C ATOM 0 H ALA C 30 1.946 7.777 7.867 1.00 0.00 H new ATOM 0 HA ALA C 30 1.408 5.081 7.279 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.254 6.046 5.295 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -0.118 6.964 6.773 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.054 7.606 5.598 1.00 0.00 H new ATOM 1179 N ASN C 31 3.743 6.510 5.443 1.00 0.00 N ATOM 1180 CA ASN C 31 4.811 6.225 4.489 1.00 0.00 C ATOM 1181 C ASN C 31 5.768 5.177 5.050 1.00 0.00 C ATOM 1182 O ASN C 31 6.190 4.264 4.337 1.00 0.00 O ATOM 1183 CB ASN C 31 5.585 7.508 4.180 1.00 0.00 C ATOM 1184 CG ASN C 31 4.721 8.453 3.354 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.880 8.005 2.573 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.875 9.742 3.481 1.00 0.00 N ATOM 0 H ASN C 31 3.731 7.466 5.798 1.00 0.00 H new ATOM 0 HA ASN C 31 4.363 5.837 3.574 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.884 7.994 5.108 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.499 7.269 3.636 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.299 10.381 2.933 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.572 10.111 4.128 1.00 0.00 H new ATOM 1193 N ILE C 32 6.108 5.314 6.327 1.00 0.00 N ATOM 1194 CA ILE C 32 7.016 4.371 6.973 1.00 0.00 C ATOM 1195 C ILE C 32 6.384 2.983 7.042 1.00 0.00 C ATOM 1196 O ILE C 32 7.042 1.978 6.784 1.00 0.00 O ATOM 1197 CB ILE C 32 7.362 4.858 8.383 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.194 6.140 8.283 1.00 0.00 C ATOM 1199 CG2 ILE C 32 8.178 3.786 9.113 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.302 6.790 9.663 1.00 0.00 C ATOM 0 H ILE C 32 5.772 6.063 6.932 1.00 0.00 H new ATOM 0 HA ILE C 32 7.930 4.309 6.382 1.00 0.00 H new ATOM 0 HB ILE C 32 6.442 5.053 8.935 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.188 5.911 7.899 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.731 6.832 7.579 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.423 4.135 10.116 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.594 2.868 9.181 1.00 0.00 H new ATOM 0 HG23 ILE C 32 9.098 3.591 8.562 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.894 7.702 9.590 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.305 7.033 10.030 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.784 6.099 10.354 1.00 0.00 H new ATOM 1212 N ILE C 33 5.104 2.941 7.397 1.00 0.00 N ATOM 1213 CA ILE C 33 4.391 1.674 7.506 1.00 0.00 C ATOM 1214 C ILE C 33 4.340 0.959 6.155 1.00 0.00 C ATOM 1215 O ILE C 33 4.551 -0.252 6.080 1.00 0.00 O ATOM 1216 CB ILE C 33 2.969 1.929 8.021 1.00 0.00 C ATOM 1217 CG1 ILE C 33 3.026 2.389 9.483 1.00 0.00 C ATOM 1218 CG2 ILE C 33 2.141 0.646 7.921 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.651 2.902 9.921 1.00 0.00 C ATOM 0 H ILE C 33 4.542 3.764 7.613 1.00 0.00 H new ATOM 0 HA ILE C 33 4.923 1.033 8.209 1.00 0.00 H new ATOM 0 HB ILE C 33 2.503 2.705 7.413 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.336 1.562 10.122 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.771 3.176 9.597 1.00 0.00 H new ATOM 0 HG21 ILE C 33 1.132 0.834 8.288 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.094 0.323 6.881 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.606 -0.135 8.522 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.698 3.227 10.960 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.358 3.742 9.291 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.917 2.102 9.824 1.00 0.00 H new ATOM 1231 N GLY C 34 4.057 1.706 5.095 1.00 0.00 N ATOM 1232 CA GLY C 34 3.982 1.117 3.761 1.00 0.00 C ATOM 1233 C GLY C 34 5.322 0.507 3.354 1.00 0.00 C ATOM 1234 O GLY C 34 5.373 -0.588 2.788 1.00 0.00 O ATOM 0 H GLY C 34 3.877 2.709 5.130 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.208 0.349 3.742 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.692 1.880 3.039 1.00 0.00 H new ATOM 1238 N ILE C 35 6.405 1.219 3.650 1.00 0.00 N ATOM 1239 CA ILE C 35 7.743 0.744 3.316 1.00 0.00 C ATOM 1240 C ILE C 35 8.056 -0.540 4.083 1.00 0.00 C ATOM 1241 O ILE C 35 8.599 -1.498 3.525 1.00 0.00 O ATOM 1242 CB ILE C 35 8.769 1.830 3.654 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.558 3.023 2.716 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.184 1.275 3.464 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.316 4.241 3.247 1.00 0.00 C ATOM 0 H ILE C 35 6.382 2.124 4.119 1.00 0.00 H new ATOM 0 HA ILE C 35 7.791 0.526 2.249 1.00 0.00 H new ATOM 0 HB ILE C 35 8.643 2.147 4.689 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.907 2.775 1.713 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.495 3.251 2.636 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.913 2.048 3.705 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.331 0.420 4.123 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.316 0.962 2.428 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.162 5.086 2.576 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.947 4.495 4.241 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.380 4.011 3.303 1.00 0.00 H new ATOM 1257 N LEU C 36 7.698 -0.551 5.362 1.00 0.00 N ATOM 1258 CA LEU C 36 7.933 -1.720 6.202 1.00 0.00 C ATOM 1259 C LEU C 36 7.168 -2.918 5.656 1.00 0.00 C ATOM 1260 O LEU C 36 7.657 -4.046 5.689 1.00 0.00 O ATOM 1261 CB LEU C 36 7.496 -1.435 7.640 1.00 0.00 C ATOM 1262 CG LEU C 36 8.448 -0.415 8.288 1.00 0.00 C ATOM 1263 CD1 LEU C 36 7.828 0.087 9.596 1.00 0.00 C ATOM 1264 CD2 LEU C 36 9.823 -1.058 8.578 1.00 0.00 C ATOM 0 H LEU C 36 7.247 0.230 5.838 1.00 0.00 H new ATOM 0 HA LEU C 36 8.999 -1.946 6.196 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.476 -1.050 7.649 1.00 0.00 H new ATOM 0 HB3 LEU C 36 7.493 -2.359 8.218 1.00 0.00 H new ATOM 0 HG LEU C 36 8.596 0.418 7.601 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.497 0.811 10.062 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.870 0.562 9.386 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.676 -0.754 10.273 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.481 -0.319 9.036 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.695 -1.901 9.258 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.265 -1.408 7.645 1.00 0.00 H new ATOM 1276 N HIS C 37 5.966 -2.666 5.146 1.00 0.00 N ATOM 1277 CA HIS C 37 5.149 -3.736 4.591 1.00 0.00 C ATOM 1278 C HIS C 37 5.898 -4.427 3.464 1.00 0.00 C ATOM 1279 O HIS C 37 5.886 -5.653 3.358 1.00 0.00 O ATOM 1280 CB HIS C 37 3.836 -3.172 4.042 1.00 0.00 C ATOM 1281 CG HIS C 37 2.990 -4.307 3.526 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.749 -4.609 4.060 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.201 -5.235 2.538 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.271 -5.678 3.400 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.116 -6.098 2.460 1.00 0.00 N ATOM 0 H HIS C 37 5.541 -1.740 5.106 1.00 0.00 H new ATOM 0 HA HIS C 37 4.932 -4.451 5.384 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.303 -2.631 4.824 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.038 -2.460 3.242 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.081 -5.287 1.913 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.317 -6.140 3.607 1.00 0.00 H new ATOM 0 HE2 HIS C 37 1.993 -6.884 1.821 1.00 0.00 H new ATOM 1293 N LEU C 38 6.551 -3.638 2.622 1.00 0.00 N ATOM 1294 CA LEU C 38 7.298 -4.193 1.501 1.00 0.00 C ATOM 1295 C LEU C 38 8.404 -5.119 1.991 1.00 0.00 C ATOM 1296 O LEU C 38 8.652 -6.157 1.387 1.00 0.00 O ATOM 1297 CB LEU C 38 7.899 -3.056 0.646 1.00 0.00 C ATOM 1298 CG LEU C 38 6.909 -2.639 -0.464 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.207 -1.212 -0.919 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.038 -3.592 -1.666 1.00 0.00 C ATOM 0 H LEU C 38 6.579 -2.621 2.692 1.00 0.00 H new ATOM 0 HA LEU C 38 6.610 -4.775 0.887 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.129 -2.199 1.279 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.838 -3.384 0.201 1.00 0.00 H new ATOM 0 HG LEU C 38 5.895 -2.689 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.505 -0.926 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.105 -0.532 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.224 -1.159 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.337 -3.292 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.055 -3.549 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.814 -4.610 -1.349 1.00 0.00 H new ATOM 1312 N ILE C 39 9.072 -4.740 3.069 1.00 0.00 N ATOM 1313 CA ILE C 39 10.156 -5.565 3.589 1.00 0.00 C ATOM 1314 C ILE C 39 9.646 -6.961 3.952 1.00 0.00 C ATOM 1315 O ILE C 39 10.236 -7.966 3.560 1.00 0.00 O ATOM 1316 CB ILE C 39 10.762 -4.903 4.827 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.227 -3.490 4.462 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.960 -5.720 5.315 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.705 -2.752 5.718 1.00 0.00 C ATOM 0 H ILE C 39 8.890 -3.884 3.594 1.00 0.00 H new ATOM 0 HA ILE C 39 10.918 -5.662 2.816 1.00 0.00 H new ATOM 0 HB ILE C 39 10.013 -4.855 5.618 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.035 -3.542 3.732 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.410 -2.939 3.996 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.389 -5.245 6.197 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.634 -6.729 5.568 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.712 -5.769 4.527 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.033 -1.748 5.447 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.886 -2.685 6.434 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.536 -3.297 6.166 1.00 0.00 H new ATOM 1331 N LEU C 40 8.554 -7.019 4.707 1.00 0.00 N ATOM 1332 CA LEU C 40 7.992 -8.306 5.110 1.00 0.00 C ATOM 1333 C LEU C 40 7.350 -9.035 3.922 1.00 0.00 C ATOM 1334 O LEU C 40 7.519 -10.244 3.763 1.00 0.00 O ATOM 1335 CB LEU C 40 6.955 -8.089 6.224 1.00 0.00 C ATOM 1336 CG LEU C 40 7.671 -7.933 7.570 1.00 0.00 C ATOM 1337 CD1 LEU C 40 8.661 -6.771 7.493 1.00 0.00 C ATOM 1338 CD2 LEU C 40 6.641 -7.655 8.666 1.00 0.00 C ATOM 0 H LEU C 40 8.046 -6.204 5.049 1.00 0.00 H new ATOM 0 HA LEU C 40 8.803 -8.932 5.482 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.360 -7.201 6.012 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.266 -8.933 6.263 1.00 0.00 H new ATOM 0 HG LEU C 40 8.210 -8.852 7.802 1.00 0.00 H new ATOM 0 HD11 LEU C 40 9.169 -6.662 8.451 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.396 -6.970 6.713 1.00 0.00 H new ATOM 0 HD13 LEU C 40 8.125 -5.851 7.260 1.00 0.00 H new ATOM 0 HD21 LEU C 40 7.150 -7.544 9.624 1.00 0.00 H new ATOM 0 HD22 LEU C 40 6.101 -6.737 8.433 1.00 0.00 H new ATOM 0 HD23 LEU C 40 5.937 -8.485 8.723 1.00 0.00 H new ATOM 1350 N TRP C 41 6.600 -8.299 3.103 1.00 0.00 N ATOM 1351 CA TRP C 41 5.924 -8.896 1.950 1.00 0.00 C ATOM 1352 C TRP C 41 6.926 -9.394 0.907 1.00 0.00 C ATOM 1353 O TRP C 41 6.812 -10.520 0.419 1.00 0.00 O ATOM 1354 CB TRP C 41 4.974 -7.868 1.324 1.00 0.00 C ATOM 1355 CG TRP C 41 4.424 -8.385 0.028 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.344 -9.192 -0.103 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.897 -8.114 -1.320 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.141 -9.448 -1.449 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.071 -8.800 -2.238 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.957 -7.345 -1.827 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.292 -8.724 -3.611 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.178 -7.264 -3.209 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.346 -7.951 -4.098 1.00 0.00 C ATOM 0 H TRP C 41 6.445 -7.297 3.214 1.00 0.00 H new ATOM 0 HA TRP C 41 5.354 -9.758 2.296 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.157 -7.652 2.013 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.504 -6.931 1.153 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.741 -9.573 0.708 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.396 -10.042 -1.813 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.606 -6.812 -1.148 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.651 -9.261 -4.295 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 6.995 -6.668 -3.589 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.519 -7.883 -5.162 1.00 0.00 H new ATOM 1374 N ILE C 42 7.895 -8.556 0.556 1.00 0.00 N ATOM 1375 CA ILE C 42 8.890 -8.941 -0.441 1.00 0.00 C ATOM 1376 C ILE C 42 9.741 -10.094 0.086 1.00 0.00 C ATOM 1377 O ILE C 42 10.083 -11.017 -0.652 1.00 0.00 O ATOM 1378 CB ILE C 42 9.782 -7.736 -0.796 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.503 -7.996 -2.127 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.831 -7.499 0.300 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.245 -6.728 -2.550 1.00 0.00 C ATOM 0 H ILE C 42 8.014 -7.618 0.940 1.00 0.00 H new ATOM 0 HA ILE C 42 8.375 -9.270 -1.344 1.00 0.00 H new ATOM 0 HB ILE C 42 9.147 -6.854 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.204 -8.824 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.784 -8.285 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.451 -6.644 0.031 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.329 -7.300 1.247 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.458 -8.385 0.401 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.759 -6.905 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.532 -5.913 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.974 -6.460 -1.785 1.00 0.00 H new ATOM 1393 N LEU C 43 10.075 -10.027 1.371 1.00 0.00 N ATOM 1394 CA LEU C 43 10.886 -11.062 1.997 1.00 0.00 C ATOM 1395 C LEU C 43 10.170 -12.405 1.954 1.00 0.00 C ATOM 1396 O LEU C 43 10.790 -13.436 1.698 1.00 0.00 O ATOM 1397 CB LEU C 43 11.197 -10.678 3.451 1.00 0.00 C ATOM 1398 CG LEU C 43 12.003 -11.809 4.154 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.096 -11.205 5.048 1.00 0.00 C ATOM 1400 CD2 LEU C 43 11.067 -12.664 5.026 1.00 0.00 C ATOM 0 H LEU C 43 9.797 -9.270 1.996 1.00 0.00 H new ATOM 0 HA LEU C 43 11.821 -11.151 1.443 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.767 -9.749 3.474 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.268 -10.495 3.992 1.00 0.00 H new ATOM 0 HG LEU C 43 12.460 -12.431 3.385 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.653 -12.006 5.534 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.776 -10.609 4.439 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.637 -10.571 5.806 1.00 0.00 H new ATOM 0 HD21 LEU C 43 11.642 -13.452 5.513 1.00 0.00 H new ATOM 0 HD22 LEU C 43 10.600 -12.035 5.784 1.00 0.00 H new ATOM 0 HD23 LEU C 43 10.295 -13.112 4.400 1.00 0.00 H new ATOM 1412 N ASP C 44 8.864 -12.392 2.207 1.00 0.00 N ATOM 1413 CA ASP C 44 8.093 -13.628 2.190 1.00 0.00 C ATOM 1414 C ASP C 44 8.208 -14.300 0.825 1.00 0.00 C ATOM 1415 O ASP C 44 8.474 -15.498 0.735 1.00 0.00 O ATOM 1416 CB ASP C 44 6.620 -13.337 2.498 1.00 0.00 C ATOM 1417 CG ASP C 44 5.827 -14.638 2.507 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.394 -15.660 2.159 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.660 -14.596 2.867 1.00 0.00 O ATOM 0 H ASP C 44 8.326 -11.553 2.423 1.00 0.00 H new ATOM 0 HA ASP C 44 8.492 -14.297 2.953 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.532 -12.841 3.464 1.00 0.00 H new ATOM 0 HB3 ASP C 44 6.211 -12.656 1.752 1.00 0.00 H new ATOM 1424 N ARG C 45 8.011 -13.522 -0.235 1.00 0.00 N ATOM 1425 CA ARG C 45 8.102 -14.061 -1.587 1.00 0.00 C ATOM 1426 C ARG C 45 9.559 -14.270 -2.005 1.00 0.00 C ATOM 1427 O ARG C 45 9.843 -15.045 -2.916 1.00 0.00 O ATOM 1428 CB ARG C 45 7.415 -13.121 -2.582 1.00 0.00 C ATOM 1429 CG ARG C 45 5.899 -13.185 -2.383 1.00 0.00 C ATOM 1430 CD ARG C 45 5.213 -12.254 -3.383 1.00 0.00 C ATOM 1431 NE ARG C 45 3.766 -12.335 -3.235 1.00 0.00 N ATOM 1432 CZ ARG C 45 2.954 -11.926 -4.204 1.00 0.00 C ATOM 1433 NH1 ARG C 45 3.451 -11.449 -5.310 1.00 0.00 N ATOM 1434 NH2 ARG C 45 1.661 -12.005 -4.051 1.00 0.00 N ATOM 0 H ARG C 45 7.790 -12.528 -0.186 1.00 0.00 H new ATOM 0 HA ARG C 45 7.598 -15.028 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG C 45 7.768 -12.100 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG C 45 7.671 -13.405 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG C 45 5.546 -14.207 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG C 45 5.643 -12.894 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG C 45 5.545 -11.228 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG C 45 5.498 -12.527 -4.399 1.00 0.00 H new ATOM 0 HE ARG C 45 3.370 -12.712 -2.374 1.00 0.00 H new ATOM 0 HH11 ARG C 45 4.462 -11.390 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG C 45 2.829 -11.135 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG C 45 1.272 -12.381 -3.186 1.00 0.00 H new ATOM 0 HH22 ARG C 45 1.039 -11.691 -4.796 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.078 12.275 1.094 1.00 0.00 N ATOM 1638 CA VAL D 27 -4.807 11.666 1.467 1.00 0.00 C ATOM 1639 C VAL D 27 -4.914 11.001 2.837 1.00 0.00 C ATOM 1640 O VAL D 27 -4.358 9.927 3.063 1.00 0.00 O ATOM 1641 CB VAL D 27 -3.698 12.727 1.475 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.806 13.586 0.212 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.828 13.619 2.717 1.00 0.00 C ATOM 0 HA VAL D 27 -4.558 10.901 0.732 1.00 0.00 H new ATOM 0 HB VAL D 27 -2.729 12.229 1.498 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -3.019 14.340 0.216 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.697 12.953 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -4.779 14.077 0.188 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.036 14.368 2.712 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -4.798 14.117 2.708 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -3.743 13.007 3.615 1.00 0.00 H new ATOM 1653 N VAL D 28 -5.634 11.650 3.745 1.00 0.00 N ATOM 1654 CA VAL D 28 -5.809 11.115 5.091 1.00 0.00 C ATOM 1655 C VAL D 28 -6.515 9.764 5.039 1.00 0.00 C ATOM 1656 O VAL D 28 -6.112 8.818 5.715 1.00 0.00 O ATOM 1657 CB VAL D 28 -6.630 12.094 5.935 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -6.913 11.480 7.308 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -5.847 13.396 6.108 1.00 0.00 C ATOM 0 H VAL D 28 -6.103 12.540 3.576 1.00 0.00 H new ATOM 0 HA VAL D 28 -4.827 10.981 5.544 1.00 0.00 H new ATOM 0 HB VAL D 28 -7.575 12.301 5.433 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -7.497 12.179 7.906 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -7.473 10.553 7.184 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -5.971 11.270 7.814 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -6.430 14.094 6.709 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -4.901 13.188 6.609 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.651 13.835 5.130 1.00 0.00 H new ATOM 1669 N ALA D 29 -7.570 9.681 4.235 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.321 8.438 4.105 1.00 0.00 C ATOM 1671 C ALA D 29 -7.431 7.331 3.552 1.00 0.00 C ATOM 1672 O ALA D 29 -7.540 6.174 3.955 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.520 8.640 3.175 1.00 0.00 C ATOM 0 H ALA D 29 -7.922 10.453 3.668 1.00 0.00 H new ATOM 0 HA ALA D 29 -8.675 8.148 5.094 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.073 7.705 3.086 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.173 9.410 3.585 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.169 8.949 2.191 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.550 7.693 2.623 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.651 6.716 2.020 1.00 0.00 C ATOM 1681 C ALA D 30 -4.743 6.093 3.077 1.00 0.00 C ATOM 1682 O ALA D 30 -4.475 4.890 3.044 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.795 7.392 0.947 1.00 0.00 C ATOM 0 H ALA D 30 -6.440 8.646 2.275 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.253 5.928 1.567 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.125 6.658 0.500 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.442 7.810 0.176 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.207 8.190 1.400 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.272 6.912 4.010 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.394 6.419 5.067 1.00 0.00 C ATOM 1691 C ASN D 31 -4.123 5.409 5.947 1.00 0.00 C ATOM 1692 O ASN D 31 -3.566 4.374 6.313 1.00 0.00 O ATOM 1693 CB ASN D 31 -2.911 7.587 5.926 1.00 0.00 C ATOM 1694 CG ASN D 31 -1.941 8.453 5.131 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.212 7.948 4.278 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -1.890 9.738 5.358 1.00 0.00 N ATOM 0 H ASN D 31 -4.480 7.910 4.058 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.540 5.927 4.602 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -3.762 8.185 6.252 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.422 7.211 6.825 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.245 10.324 4.828 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.495 10.155 6.065 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.372 5.715 6.282 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.169 4.826 7.118 1.00 0.00 C ATOM 1705 C ILE D 32 -6.432 3.508 6.396 1.00 0.00 C ATOM 1706 O ILE D 32 -6.343 2.435 6.989 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.496 5.498 7.482 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.222 6.694 8.396 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.396 4.498 8.218 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -8.491 7.535 8.532 1.00 0.00 C ATOM 0 H ILE D 32 -5.851 6.566 5.989 1.00 0.00 H new ATOM 0 HA ILE D 32 -5.613 4.617 8.032 1.00 0.00 H new ATOM 0 HB ILE D 32 -7.993 5.833 6.572 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -6.896 6.348 9.377 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.414 7.300 7.987 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.340 4.979 8.476 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.590 3.640 7.574 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -7.899 4.163 9.128 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.295 8.387 9.183 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -8.797 7.893 7.549 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.287 6.926 8.961 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.764 3.601 5.114 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.049 2.412 4.318 1.00 0.00 C ATOM 1724 C ILE D 33 -5.820 1.506 4.232 1.00 0.00 C ATOM 1725 O ILE D 33 -5.930 0.286 4.365 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.493 2.832 2.912 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -8.871 3.501 2.990 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.573 1.604 2.002 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.205 4.159 1.648 1.00 0.00 C ATOM 0 H ILE D 33 -6.842 4.482 4.605 1.00 0.00 H new ATOM 0 HA ILE D 33 -7.850 1.852 4.801 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.767 3.535 2.502 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.631 2.761 3.242 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -8.878 4.248 3.784 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.889 1.910 1.005 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.593 1.131 1.943 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.294 0.895 2.410 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.185 4.633 1.709 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.452 4.912 1.414 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.216 3.402 0.864 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.654 2.102 4.010 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.422 1.326 3.910 1.00 0.00 C ATOM 1743 C GLY D 34 -3.138 0.577 5.211 1.00 0.00 C ATOM 1744 O GLY D 34 -2.745 -0.592 5.196 1.00 0.00 O ATOM 0 H GLY D 34 -4.535 3.109 3.897 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.502 0.615 3.087 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.588 1.989 3.679 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.344 1.255 6.335 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.111 0.650 7.643 1.00 0.00 C ATOM 1750 C ILE D 35 -4.069 -0.521 7.861 1.00 0.00 C ATOM 1751 O ILE D 35 -3.675 -1.585 8.343 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.306 1.702 8.740 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.200 2.756 8.628 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.229 1.031 10.114 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.561 3.971 9.483 1.00 0.00 C ATOM 0 H ILE D 35 -3.671 2.221 6.368 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.088 0.275 7.685 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.281 2.175 8.622 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.249 2.337 8.957 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.073 3.055 7.588 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.368 1.780 10.893 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.010 0.275 10.194 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.254 0.559 10.234 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.773 4.720 9.402 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.502 4.395 9.133 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.666 3.665 10.524 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.328 -0.317 7.492 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.339 -1.355 7.640 1.00 0.00 C ATOM 1769 C LEU D 36 -5.966 -2.572 6.802 1.00 0.00 C ATOM 1770 O LEU D 36 -6.177 -3.712 7.218 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.709 -0.830 7.207 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.216 0.213 8.218 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.422 0.945 7.618 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -8.628 -0.465 9.543 1.00 0.00 C ATOM 0 H LEU D 36 -5.672 0.555 7.089 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.388 -1.644 8.690 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -7.640 -0.383 6.215 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -8.418 -1.655 7.136 1.00 0.00 H new ATOM 0 HG LEU D 36 -7.415 0.921 8.429 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.788 1.686 8.328 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -9.123 1.443 6.695 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -10.213 0.227 7.403 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -8.983 0.291 10.243 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -9.424 -1.185 9.351 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -7.768 -0.980 9.971 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.405 -2.323 5.625 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.004 -3.411 4.743 1.00 0.00 C ATOM 1788 C HIS D 37 -4.004 -4.311 5.453 1.00 0.00 C ATOM 1789 O HIS D 37 -4.079 -5.535 5.357 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.360 -2.854 3.474 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.012 -3.995 2.560 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.579 -4.139 1.306 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.166 -5.065 2.711 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.071 -5.256 0.759 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.203 -5.859 1.573 1.00 0.00 N ATOM 0 H HIS D 37 -5.219 -1.388 5.262 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.891 -3.985 4.476 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.044 -2.167 2.975 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.464 -2.286 3.725 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.562 -5.260 3.585 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.334 -5.622 -0.222 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.680 -6.717 1.397 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.066 -3.700 6.167 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.055 -4.463 6.888 1.00 0.00 C ATOM 1805 C LEU D 38 -2.699 -5.375 7.922 1.00 0.00 C ATOM 1806 O LEU D 38 -2.263 -6.507 8.105 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.055 -3.508 7.573 1.00 0.00 C ATOM 1808 CG LEU D 38 0.132 -3.208 6.634 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.785 -1.883 7.023 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.176 -4.336 6.732 1.00 0.00 C ATOM 0 H LEU D 38 -2.984 -2.688 6.262 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.519 -5.084 6.170 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.557 -2.579 7.844 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.691 -3.955 8.498 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.239 -3.142 5.611 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.622 -1.680 6.355 1.00 0.00 H new ATOM 0 HD12 LEU D 38 0.053 -1.079 6.943 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.147 -1.943 8.049 1.00 0.00 H new ATOM 0 HD21 LEU D 38 2.011 -4.118 6.066 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.538 -4.408 7.757 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.718 -5.282 6.442 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.721 -4.884 8.606 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.378 -5.690 9.625 1.00 0.00 C ATOM 1824 C ILE D 39 -4.936 -6.979 9.020 1.00 0.00 C ATOM 1825 O ILE D 39 -4.713 -8.067 9.546 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.515 -4.889 10.263 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.952 -3.579 10.823 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.144 -5.699 11.397 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.093 -2.693 11.337 1.00 0.00 C ATOM 0 H ILE D 39 -4.108 -3.949 8.479 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.642 -5.952 10.385 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.275 -4.674 9.512 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.253 -3.791 11.632 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.394 -3.053 10.048 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.953 -5.125 11.849 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.540 -6.634 11.000 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.388 -5.916 12.152 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.682 -1.764 11.733 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.776 -2.468 10.518 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.633 -3.216 12.126 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.670 -6.852 7.920 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.249 -8.025 7.268 1.00 0.00 C ATOM 1843 C LEU D 40 -5.171 -8.882 6.591 1.00 0.00 C ATOM 1844 O LEU D 40 -5.199 -10.108 6.682 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.296 -7.577 6.237 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.619 -7.267 6.948 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -8.387 -6.194 8.014 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.641 -6.758 5.928 1.00 0.00 C ATOM 0 H LEU D 40 -5.877 -5.963 7.465 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.727 -8.639 8.031 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.942 -6.694 5.705 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.446 -8.359 5.493 1.00 0.00 H new ATOM 0 HG LEU D 40 -8.997 -8.174 7.420 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.327 -5.974 8.519 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -7.660 -6.555 8.742 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -8.008 -5.288 7.542 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -10.581 -6.538 6.434 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.263 -5.852 5.455 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -9.808 -7.521 5.168 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.234 -8.232 5.901 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.168 -8.950 5.200 1.00 0.00 C ATOM 1862 C TRP D 41 -2.232 -9.664 6.176 1.00 0.00 C ATOM 1863 O TRP D 41 -1.919 -10.841 5.993 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.375 -7.969 4.325 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.157 -8.635 3.755 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.124 -9.376 2.623 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.207 -8.601 4.256 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.172 -9.812 2.410 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.028 -9.355 3.389 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.804 -7.993 5.373 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.394 -9.499 3.622 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.179 -8.134 5.605 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.971 -8.884 4.732 1.00 0.00 C ATOM 0 H TRP D 41 -4.190 -7.217 5.812 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.628 -9.712 4.571 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -3.007 -7.602 3.517 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.079 -7.103 4.917 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.971 -9.592 1.989 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.458 -10.399 1.626 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.200 -7.414 6.056 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.002 -10.083 2.947 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.629 -7.660 6.464 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.030 -8.987 4.917 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.782 -8.951 7.204 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.875 -9.545 8.181 1.00 0.00 C ATOM 1886 C ILE D 42 -1.587 -10.658 8.948 1.00 0.00 C ATOM 1887 O ILE D 42 -1.004 -11.701 9.238 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.360 -8.469 9.155 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.900 -8.972 9.871 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.431 -8.136 10.205 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.493 -7.833 10.700 1.00 0.00 C ATOM 0 H ILE D 42 -2.025 -7.976 7.381 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.022 -9.972 7.654 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.127 -7.572 8.581 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.655 -9.817 10.514 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.630 -9.327 9.143 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.050 -7.374 10.885 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.326 -7.763 9.707 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.679 -9.035 10.770 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.389 -8.184 11.212 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.752 -7.002 10.044 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.762 -7.500 11.436 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.853 -10.420 9.273 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.644 -11.397 10.009 1.00 0.00 C ATOM 1905 C LEU D 43 -3.788 -12.683 9.205 1.00 0.00 C ATOM 1906 O LEU D 43 -3.700 -13.781 9.756 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.031 -10.820 10.328 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.911 -11.881 11.049 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.728 -11.219 12.170 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -6.882 -12.532 10.048 1.00 0.00 C ATOM 0 H LEU D 43 -3.351 -9.561 9.039 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.130 -11.626 10.942 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -4.927 -9.936 10.958 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.519 -10.500 9.407 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.254 -12.641 11.472 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -7.340 -11.972 12.667 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.051 -10.765 12.894 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -7.373 -10.450 11.745 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.493 -13.273 10.563 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.527 -11.767 9.616 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -6.315 -13.018 9.254 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.012 -12.546 7.903 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.165 -13.718 7.048 1.00 0.00 C ATOM 1924 C ASP D 44 -2.920 -14.594 7.133 1.00 0.00 C ATOM 1925 O ASP D 44 -3.016 -15.807 7.317 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.393 -13.285 5.598 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.578 -14.512 4.714 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -4.397 -15.610 5.218 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.899 -14.341 3.550 1.00 0.00 O ATOM 0 H ASP D 44 -4.091 -11.650 7.422 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.028 -14.290 7.389 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -5.273 -12.644 5.535 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.545 -12.698 5.247 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.749 -13.974 6.999 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.496 -14.718 7.066 1.00 0.00 C ATOM 1936 C ARG D 45 -0.144 -15.082 8.508 1.00 0.00 C ATOM 1937 O ARG D 45 0.637 -16.002 8.750 1.00 0.00 O ATOM 1938 CB ARG D 45 0.642 -13.896 6.451 1.00 0.00 C ATOM 1939 CG ARG D 45 0.467 -13.834 4.933 1.00 0.00 C ATOM 1940 CD ARG D 45 1.609 -13.022 4.321 1.00 0.00 C ATOM 1941 NE ARG D 45 1.482 -12.984 2.868 1.00 0.00 N ATOM 1942 CZ ARG D 45 2.517 -12.674 2.098 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.672 -12.398 2.639 1.00 0.00 N ATOM 1944 NH2 ARG D 45 2.381 -12.648 0.801 1.00 0.00 N ATOM 0 H ARG D 45 -1.643 -12.971 6.845 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.626 -15.640 6.500 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.644 -12.889 6.869 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.604 -14.345 6.698 1.00 0.00 H new ATOM 0 HG2 ARG D 45 0.458 -14.841 4.516 1.00 0.00 H new ATOM 0 HG3 ARG D 45 -0.491 -13.378 4.685 1.00 0.00 H new ATOM 0 HD2 ARG D 45 1.598 -12.008 4.720 1.00 0.00 H new ATOM 0 HD3 ARG D 45 2.567 -13.463 4.598 1.00 0.00 H new ATOM 0 HE ARG D 45 0.583 -13.199 2.437 1.00 0.00 H new ATOM 0 HH11 ARG D 45 3.779 -12.421 3.653 1.00 0.00 H new ATOM 0 HH12 ARG D 45 4.468 -12.160 2.048 1.00 0.00 H new ATOM 0 HH21 ARG D 45 1.479 -12.866 0.378 1.00 0.00 H new ATOM 0 HH22 ARG D 45 3.177 -12.410 0.209 1.00 0.00 H new