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= -1.67 K(o=-1.7,f=-4.6!) USER MOD Single : A 37 HIS : no HD1:sc= -9.92! C(o=-9.9!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.2!) USER MOD Single : B 37 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.3!) USER MOD Single : C 37 HIS : no HD1:sc= -9.81! C(o=-9.8!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -0.895 K(o=-0.9,f=-3.8!) USER MOD Single : D 37 HIS : no HD1:sc= -9.89! C(o=-9.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.407 12.680 -5.376 1.00 0.00 N ATOM 108 CA VAL A 27 -1.030 12.431 -4.079 1.00 0.00 C ATOM 109 C VAL A 27 -2.423 11.833 -4.255 1.00 0.00 C ATOM 110 O VAL A 27 -2.754 10.811 -3.649 1.00 0.00 O ATOM 111 CB VAL A 27 -1.133 13.751 -3.305 1.00 0.00 C ATOM 112 CG1 VAL A 27 -1.961 13.549 -2.034 1.00 0.00 C ATOM 113 CG2 VAL A 27 0.267 14.237 -2.929 1.00 0.00 C ATOM 0 HA VAL A 27 -0.416 11.721 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.620 14.495 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.029 14.491 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.962 13.211 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.482 12.800 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.191 15.175 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.756 13.489 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.853 14.394 -3.835 1.00 0.00 H new ATOM 123 N VAL A 28 -3.233 12.470 -5.090 1.00 0.00 N ATOM 124 CA VAL A 28 -4.587 11.990 -5.339 1.00 0.00 C ATOM 125 C VAL A 28 -4.555 10.666 -6.090 1.00 0.00 C ATOM 126 O VAL A 28 -5.324 9.751 -5.792 1.00 0.00 O ATOM 127 CB VAL A 28 -5.378 13.023 -6.144 1.00 0.00 C ATOM 128 CG1 VAL A 28 -5.596 14.276 -5.294 1.00 0.00 C ATOM 129 CG2 VAL A 28 -4.600 13.404 -7.404 1.00 0.00 C ATOM 0 H VAL A 28 -2.979 13.314 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.077 11.837 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.340 12.595 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.160 15.012 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.153 14.013 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.631 14.697 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.168 14.140 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.636 13.828 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.441 12.516 -8.016 1.00 0.00 H new ATOM 139 N ALA A 29 -3.662 10.573 -7.069 1.00 0.00 N ATOM 140 CA ALA A 29 -3.535 9.358 -7.864 1.00 0.00 C ATOM 141 C ALA A 29 -3.094 8.191 -6.989 1.00 0.00 C ATOM 142 O ALA A 29 -3.563 7.067 -7.159 1.00 0.00 O ATOM 143 CB ALA A 29 -2.516 9.568 -8.985 1.00 0.00 C ATOM 0 H ALA A 29 -3.019 11.320 -7.330 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.508 9.128 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.429 8.654 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.846 10.384 -9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.546 9.816 -8.553 1.00 0.00 H new ATOM 149 N ALA A 30 -2.191 8.463 -6.056 1.00 0.00 N ATOM 150 CA ALA A 30 -1.697 7.419 -5.166 1.00 0.00 C ATOM 151 C ALA A 30 -2.836 6.836 -4.338 1.00 0.00 C ATOM 152 O ALA A 30 -2.920 5.622 -4.151 1.00 0.00 O ATOM 153 CB ALA A 30 -0.631 7.993 -4.232 1.00 0.00 C ATOM 0 H ALA A 30 -1.789 9.387 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.262 6.626 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.266 7.208 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.198 8.384 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.064 8.797 -3.637 1.00 0.00 H new ATOM 159 N ASN A 31 -3.711 7.706 -3.845 1.00 0.00 N ATOM 160 CA ASN A 31 -4.839 7.253 -3.041 1.00 0.00 C ATOM 161 C ASN A 31 -5.776 6.380 -3.868 1.00 0.00 C ATOM 162 O ASN A 31 -6.251 5.347 -3.399 1.00 0.00 O ATOM 163 CB ASN A 31 -5.609 8.461 -2.505 1.00 0.00 C ATOM 164 CG ASN A 31 -4.785 9.173 -1.437 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.860 8.588 -0.871 1.00 0.00 O ATOM 166 ND2 ASN A 31 -5.065 10.408 -1.126 1.00 0.00 N ATOM 0 H ASN A 31 -3.662 8.715 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.454 6.663 -2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.836 9.149 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.562 8.138 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.518 10.891 -0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.831 10.891 -1.595 1.00 0.00 H new ATOM 173 N ILE A 32 -6.035 6.802 -5.103 1.00 0.00 N ATOM 174 CA ILE A 32 -6.917 6.047 -5.987 1.00 0.00 C ATOM 175 C ILE A 32 -6.304 4.692 -6.327 1.00 0.00 C ATOM 176 O ILE A 32 -6.987 3.668 -6.310 1.00 0.00 O ATOM 177 CB ILE A 32 -7.167 6.837 -7.275 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.974 8.097 -6.946 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.957 5.976 -8.267 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.975 9.030 -8.158 1.00 0.00 C ATOM 0 H ILE A 32 -5.651 7.654 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.864 5.884 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.211 7.114 -7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.996 7.828 -6.679 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.542 8.604 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.132 6.543 -9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.388 5.076 -8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.913 5.696 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.549 9.927 -7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.950 9.308 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.427 8.520 -9.009 1.00 0.00 H new ATOM 192 N ILE A 33 -5.011 4.694 -6.635 1.00 0.00 N ATOM 193 CA ILE A 33 -4.316 3.460 -6.979 1.00 0.00 C ATOM 194 C ILE A 33 -4.307 2.503 -5.791 1.00 0.00 C ATOM 195 O ILE A 33 -4.542 1.305 -5.949 1.00 0.00 O ATOM 196 CB ILE A 33 -2.877 3.773 -7.413 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.895 4.514 -8.753 1.00 0.00 C ATOM 198 CG2 ILE A 33 -2.078 2.473 -7.557 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.503 5.084 -9.039 1.00 0.00 C ATOM 0 H ILE A 33 -4.427 5.530 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.842 2.982 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.405 4.400 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.193 3.835 -9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.631 5.318 -8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.058 2.705 -7.865 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.058 1.950 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.548 1.838 -8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.515 5.612 -9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.223 5.776 -8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.779 4.271 -9.083 1.00 0.00 H new ATOM 211 N GLY A 34 -4.027 3.032 -4.607 1.00 0.00 N ATOM 212 CA GLY A 34 -3.984 2.202 -3.409 1.00 0.00 C ATOM 213 C GLY A 34 -5.338 1.548 -3.147 1.00 0.00 C ATOM 214 O GLY A 34 -5.418 0.355 -2.854 1.00 0.00 O ATOM 0 H GLY A 34 -3.828 4.020 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.221 1.432 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.698 2.810 -2.551 1.00 0.00 H new ATOM 218 N ILE A 35 -6.397 2.338 -3.261 1.00 0.00 N ATOM 219 CA ILE A 35 -7.745 1.829 -3.039 1.00 0.00 C ATOM 220 C ILE A 35 -8.082 0.764 -4.078 1.00 0.00 C ATOM 221 O ILE A 35 -8.657 -0.277 -3.757 1.00 0.00 O ATOM 222 CB ILE A 35 -8.756 2.977 -3.125 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.545 3.926 -1.941 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.182 2.415 -3.076 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.278 5.242 -2.196 1.00 0.00 C ATOM 0 H ILE A 35 -6.351 3.327 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.794 1.382 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.612 3.517 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.913 3.466 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.481 4.114 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.898 3.234 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.335 1.736 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.328 1.875 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.125 5.913 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.889 5.705 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.344 5.047 -2.316 1.00 0.00 H new ATOM 237 N LEU A 36 -7.717 1.036 -5.324 1.00 0.00 N ATOM 238 CA LEU A 36 -7.991 0.096 -6.401 1.00 0.00 C ATOM 239 C LEU A 36 -7.303 -1.233 -6.120 1.00 0.00 C ATOM 240 O LEU A 36 -7.858 -2.298 -6.392 1.00 0.00 O ATOM 241 CB LEU A 36 -7.503 0.663 -7.741 1.00 0.00 C ATOM 242 CG LEU A 36 -7.776 -0.341 -8.878 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.279 -0.657 -8.966 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.289 0.261 -10.204 1.00 0.00 C ATOM 0 H LEU A 36 -7.237 1.889 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.068 -0.064 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.008 1.606 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.436 0.879 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.241 -1.269 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.455 -1.367 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.616 -1.089 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.833 0.261 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.478 -0.443 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.823 1.191 -10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.220 0.463 -10.141 1.00 0.00 H new ATOM 256 N HIS A 37 -6.094 -1.162 -5.576 1.00 0.00 N ATOM 257 CA HIS A 37 -5.338 -2.366 -5.265 1.00 0.00 C ATOM 258 C HIS A 37 -6.122 -3.251 -4.306 1.00 0.00 C ATOM 259 O HIS A 37 -6.151 -4.472 -4.459 1.00 0.00 O ATOM 260 CB HIS A 37 -4.000 -1.993 -4.629 1.00 0.00 C ATOM 261 CG HIS A 37 -3.214 -3.248 -4.355 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.995 -3.504 -4.956 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.471 -4.331 -3.556 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.569 -4.699 -4.512 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.429 -5.245 -3.655 1.00 0.00 N ATOM 0 H HIS A 37 -5.620 -0.289 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.161 -2.912 -6.192 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.439 -1.336 -5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.165 -1.444 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.351 -4.455 -2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.641 -5.161 -4.814 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.342 -6.141 -3.175 1.00 0.00 H new ATOM 273 N LEU A 38 -6.757 -2.628 -3.321 1.00 0.00 N ATOM 274 CA LEU A 38 -7.539 -3.375 -2.341 1.00 0.00 C ATOM 275 C LEU A 38 -8.668 -4.135 -3.018 1.00 0.00 C ATOM 276 O LEU A 38 -8.959 -5.267 -2.644 1.00 0.00 O ATOM 277 CB LEU A 38 -8.114 -2.415 -1.281 1.00 0.00 C ATOM 278 CG LEU A 38 -7.144 -2.287 -0.091 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.410 -0.983 0.660 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.334 -3.470 0.875 1.00 0.00 C ATOM 0 H LEU A 38 -6.747 -1.618 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.881 -4.095 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.287 -1.435 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.080 -2.783 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.123 -2.289 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.720 -0.900 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.265 -0.139 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.435 -0.979 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.644 -3.370 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.358 -3.475 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.135 -4.404 0.350 1.00 0.00 H new ATOM 292 N ILE A 39 -9.304 -3.518 -3.997 1.00 0.00 N ATOM 293 CA ILE A 39 -10.407 -4.173 -4.682 1.00 0.00 C ATOM 294 C ILE A 39 -9.921 -5.450 -5.369 1.00 0.00 C ATOM 295 O ILE A 39 -10.572 -6.492 -5.304 1.00 0.00 O ATOM 296 CB ILE A 39 -10.998 -3.220 -5.721 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.660 -2.037 -5.004 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.044 -3.954 -6.570 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.061 -0.972 -6.027 1.00 0.00 C ATOM 0 H ILE A 39 -9.082 -2.581 -4.333 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.172 -4.438 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.202 -2.858 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.538 -2.377 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.973 -1.612 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.460 -3.268 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.574 -4.794 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.842 -4.322 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.531 -0.133 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.174 -0.623 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.764 -1.400 -6.741 1.00 0.00 H new ATOM 311 N LEU A 40 -8.781 -5.364 -6.042 1.00 0.00 N ATOM 312 CA LEU A 40 -8.235 -6.522 -6.735 1.00 0.00 C ATOM 313 C LEU A 40 -7.650 -7.531 -5.750 1.00 0.00 C ATOM 314 O LEU A 40 -7.844 -8.738 -5.894 1.00 0.00 O ATOM 315 CB LEU A 40 -7.156 -6.074 -7.716 1.00 0.00 C ATOM 316 CG LEU A 40 -7.714 -4.957 -8.601 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.621 -4.491 -9.568 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.932 -5.463 -9.395 1.00 0.00 C ATOM 0 H LEU A 40 -8.222 -4.514 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.046 -7.008 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.279 -5.721 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.834 -6.915 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.031 -4.124 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.011 -3.695 -10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.768 -4.118 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.305 -5.328 -10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.319 -4.658 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.633 -6.300 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.708 -5.789 -8.702 1.00 0.00 H new ATOM 330 N TRP A 41 -6.919 -7.030 -4.760 1.00 0.00 N ATOM 331 CA TRP A 41 -6.290 -7.897 -3.767 1.00 0.00 C ATOM 332 C TRP A 41 -7.331 -8.578 -2.884 1.00 0.00 C ATOM 333 O TRP A 41 -7.258 -9.782 -2.644 1.00 0.00 O ATOM 334 CB TRP A 41 -5.325 -7.077 -2.901 1.00 0.00 C ATOM 335 CG TRP A 41 -4.838 -7.911 -1.758 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.801 -8.781 -1.810 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.329 -7.943 -0.390 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.652 -9.368 -0.567 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.562 -8.875 0.342 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.362 -7.263 0.282 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.807 -9.123 1.688 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.602 -7.505 1.643 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.827 -8.435 2.341 1.00 0.00 C ATOM 0 H TRP A 41 -6.747 -6.034 -4.623 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.738 -8.674 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.481 -6.738 -3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.827 -6.186 -2.525 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.192 -8.983 -2.678 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.954 -10.079 -0.350 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.973 -6.551 -0.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.210 -9.845 2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.389 -6.970 2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.019 -8.620 3.387 1.00 0.00 H new ATOM 354 N ILE A 42 -8.285 -7.803 -2.390 1.00 0.00 N ATOM 355 CA ILE A 42 -9.317 -8.348 -1.520 1.00 0.00 C ATOM 356 C ILE A 42 -10.159 -9.364 -2.276 1.00 0.00 C ATOM 357 O ILE A 42 -10.592 -10.372 -1.717 1.00 0.00 O ATOM 358 CB ILE A 42 -10.211 -7.214 -0.993 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.047 -7.729 0.182 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.149 -6.703 -2.101 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.775 -6.553 0.833 1.00 0.00 C ATOM 0 H ILE A 42 -8.366 -6.803 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.839 -8.846 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.575 -6.392 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.766 -8.471 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.406 -8.224 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.773 -5.901 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.556 -6.326 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.783 -7.520 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.372 -6.913 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.045 -5.828 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.427 -6.078 0.100 1.00 0.00 H new ATOM 373 N LEU A 43 -10.396 -9.085 -3.548 1.00 0.00 N ATOM 374 CA LEU A 43 -11.200 -9.972 -4.369 1.00 0.00 C ATOM 375 C LEU A 43 -10.547 -11.342 -4.479 1.00 0.00 C ATOM 376 O LEU A 43 -11.220 -12.366 -4.379 1.00 0.00 O ATOM 377 CB LEU A 43 -11.378 -9.370 -5.769 1.00 0.00 C ATOM 378 CG LEU A 43 -12.207 -10.329 -6.670 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.219 -9.532 -7.507 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.281 -11.104 -7.628 1.00 0.00 C ATOM 0 H LEU A 43 -10.045 -8.257 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.176 -10.088 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.880 -8.405 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.403 -9.189 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.733 -11.029 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.792 -10.216 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.896 -8.993 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.688 -8.820 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.878 -11.770 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.742 -10.400 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.567 -11.691 -7.049 1.00 0.00 H new ATOM 392 N ASP A 44 -9.238 -11.352 -4.683 1.00 0.00 N ATOM 393 CA ASP A 44 -8.507 -12.604 -4.803 1.00 0.00 C ATOM 394 C ASP A 44 -8.600 -13.401 -3.508 1.00 0.00 C ATOM 395 O ASP A 44 -8.736 -14.624 -3.526 1.00 0.00 O ATOM 396 CB ASP A 44 -7.039 -12.324 -5.131 1.00 0.00 C ATOM 397 CG ASP A 44 -6.907 -11.848 -6.573 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.861 -11.998 -7.318 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.853 -11.335 -6.913 1.00 0.00 O ATOM 0 H ASP A 44 -8.664 -10.513 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.951 -13.188 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.644 -11.568 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.446 -13.226 -4.982 1.00 0.00 H new ATOM 404 N ARG A 45 -8.523 -12.698 -2.387 1.00 0.00 N ATOM 405 CA ARG A 45 -8.596 -13.347 -1.086 1.00 0.00 C ATOM 406 C ARG A 45 -9.955 -14.009 -0.883 1.00 0.00 C ATOM 407 O ARG A 45 -10.048 -15.103 -0.326 1.00 0.00 O ATOM 408 CB ARG A 45 -8.358 -12.311 0.020 1.00 0.00 C ATOM 409 CG ARG A 45 -6.884 -11.868 0.033 1.00 0.00 C ATOM 410 CD ARG A 45 -6.030 -12.864 0.830 1.00 0.00 C ATOM 411 NE ARG A 45 -4.661 -12.376 0.943 1.00 0.00 N ATOM 412 CZ ARG A 45 -3.699 -13.153 1.422 1.00 0.00 C ATOM 413 NH1 ARG A 45 -3.977 -14.370 1.800 1.00 0.00 N ATOM 414 NH2 ARG A 45 -2.481 -12.700 1.516 1.00 0.00 N ATOM 0 H ARG A 45 -8.411 -11.685 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.827 -14.118 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.003 -11.446 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.625 -12.735 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.511 -11.796 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.801 -10.874 0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.456 -13.006 1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.038 -13.836 0.337 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.440 -11.424 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.932 -14.721 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.240 -14.970 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.267 -11.747 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.741 -13.298 1.885 1.00 0.00 H new ATOM 617 N VAL B 27 7.034 11.838 0.671 1.00 0.00 N ATOM 618 CA VAL B 27 5.710 11.822 0.057 1.00 0.00 C ATOM 619 C VAL B 27 5.791 11.336 -1.389 1.00 0.00 C ATOM 620 O VAL B 27 5.051 10.439 -1.797 1.00 0.00 O ATOM 621 CB VAL B 27 5.122 13.237 0.087 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.825 13.280 -0.726 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.829 13.638 1.536 1.00 0.00 C ATOM 0 HA VAL B 27 5.071 11.140 0.618 1.00 0.00 H new ATOM 0 HB VAL B 27 5.841 13.932 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.413 14.289 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.033 12.999 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.104 12.583 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.411 14.644 1.558 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.114 12.939 1.970 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.753 13.617 2.113 1.00 0.00 H new ATOM 633 N VAL B 28 6.696 11.927 -2.154 1.00 0.00 N ATOM 634 CA VAL B 28 6.869 11.545 -3.552 1.00 0.00 C ATOM 635 C VAL B 28 7.437 10.135 -3.655 1.00 0.00 C ATOM 636 O VAL B 28 7.013 9.343 -4.494 1.00 0.00 O ATOM 637 CB VAL B 28 7.796 12.530 -4.264 1.00 0.00 C ATOM 638 CG1 VAL B 28 7.117 13.898 -4.351 1.00 0.00 C ATOM 639 CG2 VAL B 28 9.102 12.672 -3.480 1.00 0.00 C ATOM 0 H VAL B 28 7.320 12.669 -1.836 1.00 0.00 H new ATOM 0 HA VAL B 28 5.892 11.567 -4.034 1.00 0.00 H new ATOM 0 HB VAL B 28 8.010 12.157 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL B 28 7.778 14.601 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.186 13.807 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL B 28 6.903 14.262 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL B 28 9.759 13.375 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL B 28 8.886 13.041 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL B 28 9.593 11.701 -3.411 1.00 0.00 H new ATOM 649 N ALA B 29 8.404 9.835 -2.795 1.00 0.00 N ATOM 650 CA ALA B 29 9.031 8.520 -2.795 1.00 0.00 C ATOM 651 C ALA B 29 8.014 7.441 -2.441 1.00 0.00 C ATOM 652 O ALA B 29 8.031 6.351 -3.011 1.00 0.00 O ATOM 653 CB ALA B 29 10.181 8.488 -1.785 1.00 0.00 C ATOM 0 H ALA B 29 8.768 10.480 -2.094 1.00 0.00 H new ATOM 0 HA ALA B 29 9.419 8.325 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.644 7.501 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.923 9.239 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.796 8.701 -0.788 1.00 0.00 H new ATOM 659 N ALA B 30 7.134 7.750 -1.497 1.00 0.00 N ATOM 660 CA ALA B 30 6.118 6.792 -1.080 1.00 0.00 C ATOM 661 C ALA B 30 5.212 6.428 -2.248 1.00 0.00 C ATOM 662 O ALA B 30 4.867 5.260 -2.438 1.00 0.00 O ATOM 663 CB ALA B 30 5.276 7.387 0.050 1.00 0.00 C ATOM 0 H ALA B 30 7.102 8.646 -1.010 1.00 0.00 H new ATOM 0 HA ALA B 30 6.619 5.890 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.518 6.666 0.357 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.919 7.622 0.898 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.790 8.298 -0.299 1.00 0.00 H new ATOM 669 N ASN B 31 4.826 7.429 -3.032 1.00 0.00 N ATOM 670 CA ASN B 31 3.958 7.191 -4.178 1.00 0.00 C ATOM 671 C ASN B 31 4.654 6.304 -5.205 1.00 0.00 C ATOM 672 O ASN B 31 4.050 5.387 -5.761 1.00 0.00 O ATOM 673 CB ASN B 31 3.580 8.520 -4.828 1.00 0.00 C ATOM 674 CG ASN B 31 2.621 9.291 -3.925 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.980 8.701 -3.054 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.485 10.578 -4.081 1.00 0.00 N ATOM 0 H ASN B 31 5.097 8.403 -2.897 1.00 0.00 H new ATOM 0 HA ASN B 31 3.058 6.685 -3.828 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.476 9.113 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN B 31 3.114 8.340 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.846 11.100 -3.481 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.017 11.063 -4.803 1.00 0.00 H new ATOM 683 N ILE B 32 5.932 6.581 -5.453 1.00 0.00 N ATOM 684 CA ILE B 32 6.701 5.801 -6.417 1.00 0.00 C ATOM 685 C ILE B 32 6.862 4.363 -5.932 1.00 0.00 C ATOM 686 O ILE B 32 6.705 3.416 -6.703 1.00 0.00 O ATOM 687 CB ILE B 32 8.080 6.436 -6.621 1.00 0.00 C ATOM 688 CG1 ILE B 32 7.914 7.793 -7.308 1.00 0.00 C ATOM 689 CG2 ILE B 32 8.942 5.526 -7.503 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.236 8.560 -7.245 1.00 0.00 C ATOM 0 H ILE B 32 6.453 7.334 -5.003 1.00 0.00 H new ATOM 0 HA ILE B 32 6.164 5.793 -7.365 1.00 0.00 H new ATOM 0 HB ILE B 32 8.564 6.568 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.611 7.653 -8.346 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.125 8.366 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE B 32 9.922 5.981 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.059 4.556 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.459 5.393 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.119 9.527 -7.734 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.519 8.712 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.013 7.988 -7.752 1.00 0.00 H new ATOM 702 N ILE B 33 7.179 4.209 -4.651 1.00 0.00 N ATOM 703 CA ILE B 33 7.364 2.882 -4.075 1.00 0.00 C ATOM 704 C ILE B 33 6.059 2.092 -4.126 1.00 0.00 C ATOM 705 O ILE B 33 6.053 0.910 -4.468 1.00 0.00 O ATOM 706 CB ILE B 33 7.848 3.006 -2.625 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.276 3.563 -2.605 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.826 1.633 -1.947 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.651 3.959 -1.176 1.00 0.00 C ATOM 0 H ILE B 33 7.312 4.980 -3.996 1.00 0.00 H new ATOM 0 HA ILE B 33 8.115 2.349 -4.658 1.00 0.00 H new ATOM 0 HB ILE B 33 7.185 3.683 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.974 2.815 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.349 4.428 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.171 1.730 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.809 1.240 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.482 0.950 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.666 4.355 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.960 4.721 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.594 3.084 -0.529 1.00 0.00 H new ATOM 721 N GLY B 34 4.958 2.747 -3.776 1.00 0.00 N ATOM 722 CA GLY B 34 3.661 2.081 -3.782 1.00 0.00 C ATOM 723 C GLY B 34 3.302 1.592 -5.182 1.00 0.00 C ATOM 724 O GLY B 34 2.853 0.458 -5.361 1.00 0.00 O ATOM 0 H GLY B 34 4.936 3.725 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.679 1.237 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.894 2.768 -3.426 1.00 0.00 H new ATOM 728 N ILE B 35 3.509 2.453 -6.171 1.00 0.00 N ATOM 729 CA ILE B 35 3.207 2.103 -7.552 1.00 0.00 C ATOM 730 C ILE B 35 4.093 0.946 -8.004 1.00 0.00 C ATOM 731 O ILE B 35 3.633 0.010 -8.662 1.00 0.00 O ATOM 732 CB ILE B 35 3.436 3.317 -8.460 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.387 4.389 -8.140 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.300 2.897 -9.928 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.807 5.725 -8.758 1.00 0.00 C ATOM 0 H ILE B 35 3.883 3.393 -6.043 1.00 0.00 H new ATOM 0 HA ILE B 35 2.163 1.798 -7.619 1.00 0.00 H new ATOM 0 HB ILE B 35 4.436 3.715 -8.290 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.415 4.087 -8.529 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.279 4.495 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.463 3.762 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.040 2.130 -10.157 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.300 2.500 -10.102 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.059 6.483 -8.528 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.770 6.029 -8.348 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.892 5.615 -9.839 1.00 0.00 H new ATOM 747 N LEU B 36 5.367 1.016 -7.644 1.00 0.00 N ATOM 748 CA LEU B 36 6.309 -0.027 -8.020 1.00 0.00 C ATOM 749 C LEU B 36 5.859 -1.366 -7.448 1.00 0.00 C ATOM 750 O LEU B 36 5.984 -2.403 -8.099 1.00 0.00 O ATOM 751 CB LEU B 36 7.717 0.312 -7.512 1.00 0.00 C ATOM 752 CG LEU B 36 8.708 -0.803 -7.896 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.742 -0.990 -9.423 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.106 -0.430 -7.384 1.00 0.00 C ATOM 0 H LEU B 36 5.769 1.777 -7.097 1.00 0.00 H new ATOM 0 HA LEU B 36 6.338 -0.094 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.045 1.261 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.700 0.436 -6.429 1.00 0.00 H new ATOM 0 HG LEU B 36 8.387 -1.740 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.447 -1.781 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.748 -1.262 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.055 -0.059 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.813 -1.215 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.420 0.511 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.079 -0.321 -6.300 1.00 0.00 H new ATOM 766 N HIS B 37 5.340 -1.335 -6.226 1.00 0.00 N ATOM 767 CA HIS B 37 4.879 -2.551 -5.573 1.00 0.00 C ATOM 768 C HIS B 37 3.805 -3.225 -6.413 1.00 0.00 C ATOM 769 O HIS B 37 3.795 -4.449 -6.554 1.00 0.00 O ATOM 770 CB HIS B 37 4.310 -2.219 -4.194 1.00 0.00 C ATOM 771 CG HIS B 37 3.877 -3.492 -3.517 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.441 -3.932 -2.334 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.941 -4.437 -3.855 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.847 -5.092 -2.006 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.923 -5.444 -2.899 1.00 0.00 N ATOM 0 H HIS B 37 5.229 -0.486 -5.672 1.00 0.00 H new ATOM 0 HA HIS B 37 5.726 -3.229 -5.463 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.061 -1.710 -3.591 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.464 -1.539 -4.291 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.313 -4.403 -4.733 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.089 -5.669 -1.126 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.330 -6.274 -2.884 1.00 0.00 H new ATOM 783 N LEU B 38 2.908 -2.425 -6.968 1.00 0.00 N ATOM 784 CA LEU B 38 1.831 -2.962 -7.793 1.00 0.00 C ATOM 785 C LEU B 38 2.390 -3.700 -8.998 1.00 0.00 C ATOM 786 O LEU B 38 1.869 -4.743 -9.380 1.00 0.00 O ATOM 787 CB LEU B 38 0.900 -1.824 -8.260 1.00 0.00 C ATOM 788 CG LEU B 38 -0.255 -1.630 -7.257 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.834 -0.220 -7.393 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.368 -2.657 -7.530 1.00 0.00 C ATOM 0 H LEU B 38 2.901 -1.410 -6.865 1.00 0.00 H new ATOM 0 HA LEU B 38 1.259 -3.667 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.467 -0.898 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.499 -2.055 -9.247 1.00 0.00 H new ATOM 0 HG LEU B 38 0.133 -1.771 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.649 -0.091 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.055 0.514 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.211 -0.078 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.179 -2.512 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.747 -2.522 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.967 -3.665 -7.424 1.00 0.00 H new ATOM 802 N ILE B 39 3.437 -3.161 -9.598 1.00 0.00 N ATOM 803 CA ILE B 39 4.019 -3.800 -10.768 1.00 0.00 C ATOM 804 C ILE B 39 4.538 -5.194 -10.411 1.00 0.00 C ATOM 805 O ILE B 39 4.330 -6.154 -11.150 1.00 0.00 O ATOM 806 CB ILE B 39 5.172 -2.942 -11.292 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.612 -1.618 -11.832 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.908 -3.681 -12.416 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.762 -0.663 -12.158 1.00 0.00 C ATOM 0 H ILE B 39 3.895 -2.299 -9.303 1.00 0.00 H new ATOM 0 HA ILE B 39 3.253 -3.898 -11.537 1.00 0.00 H new ATOM 0 HB ILE B 39 5.871 -2.744 -10.479 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.016 -1.802 -12.726 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.949 -1.165 -11.095 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.727 -3.062 -12.783 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.306 -4.621 -12.034 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.215 -3.886 -13.232 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.359 0.275 -12.541 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.340 -0.468 -11.255 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.408 -1.115 -12.911 1.00 0.00 H new ATOM 821 N LEU B 40 5.226 -5.298 -9.283 1.00 0.00 N ATOM 822 CA LEU B 40 5.764 -6.584 -8.856 1.00 0.00 C ATOM 823 C LEU B 40 4.660 -7.504 -8.343 1.00 0.00 C ATOM 824 O LEU B 40 4.642 -8.697 -8.645 1.00 0.00 O ATOM 825 CB LEU B 40 6.806 -6.366 -7.763 1.00 0.00 C ATOM 826 CG LEU B 40 7.827 -5.328 -8.236 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.855 -5.094 -7.126 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.535 -5.822 -9.509 1.00 0.00 C ATOM 0 H LEU B 40 5.424 -4.520 -8.654 1.00 0.00 H new ATOM 0 HA LEU B 40 6.229 -7.063 -9.718 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.323 -6.026 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.307 -7.306 -7.530 1.00 0.00 H new ATOM 0 HG LEU B 40 7.314 -4.394 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.585 -4.356 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.349 -4.729 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.364 -6.031 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.259 -5.075 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.050 -6.759 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.798 -5.982 -10.296 1.00 0.00 H new ATOM 840 N TRP B 41 3.751 -6.945 -7.550 1.00 0.00 N ATOM 841 CA TRP B 41 2.658 -7.728 -6.980 1.00 0.00 C ATOM 842 C TRP B 41 1.684 -8.191 -8.060 1.00 0.00 C ATOM 843 O TRP B 41 1.288 -9.356 -8.089 1.00 0.00 O ATOM 844 CB TRP B 41 1.916 -6.893 -5.929 1.00 0.00 C ATOM 845 CG TRP B 41 0.677 -7.612 -5.494 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.625 -8.572 -4.541 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.687 -7.421 -5.958 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.684 -9.004 -4.419 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.530 -8.316 -5.263 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.273 -6.565 -6.911 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.898 -8.364 -5.501 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.654 -6.606 -7.147 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.463 -7.503 -6.443 1.00 0.00 C ATOM 0 H TRP B 41 3.748 -5.959 -7.288 1.00 0.00 H new ATOM 0 HA TRP B 41 3.084 -8.614 -6.509 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.563 -6.713 -5.071 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.656 -5.919 -6.342 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.465 -8.940 -3.971 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.986 -9.741 -3.782 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.654 -5.873 -7.463 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.520 -9.063 -4.961 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.095 -5.942 -7.876 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.527 -7.530 -6.628 1.00 0.00 H new ATOM 864 N ILE B 42 1.286 -7.276 -8.932 1.00 0.00 N ATOM 865 CA ILE B 42 0.344 -7.606 -9.989 1.00 0.00 C ATOM 866 C ILE B 42 0.951 -8.632 -10.932 1.00 0.00 C ATOM 867 O ILE B 42 0.261 -9.514 -11.440 1.00 0.00 O ATOM 868 CB ILE B 42 -0.036 -6.337 -10.768 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.277 -6.616 -11.623 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.124 -5.895 -11.679 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.775 -5.303 -12.226 1.00 0.00 C ATOM 0 H ILE B 42 1.599 -6.305 -8.928 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.554 -8.030 -9.540 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.247 -5.539 -10.056 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.036 -7.326 -12.414 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.059 -7.070 -11.014 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.837 -4.995 -12.223 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.005 -5.687 -11.071 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.353 -6.690 -12.389 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.658 -5.494 -12.836 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.030 -4.609 -11.425 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.992 -4.868 -12.848 1.00 0.00 H new ATOM 883 N LEU B 43 2.246 -8.500 -11.168 1.00 0.00 N ATOM 884 CA LEU B 43 2.936 -9.411 -12.065 1.00 0.00 C ATOM 885 C LEU B 43 2.869 -10.836 -11.539 1.00 0.00 C ATOM 886 O LEU B 43 2.629 -11.773 -12.298 1.00 0.00 O ATOM 887 CB LEU B 43 4.401 -8.983 -12.219 1.00 0.00 C ATOM 888 CG LEU B 43 5.162 -9.974 -13.146 1.00 0.00 C ATOM 889 CD1 LEU B 43 6.087 -9.206 -14.100 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.015 -10.948 -12.312 1.00 0.00 C ATOM 0 H LEU B 43 2.836 -7.778 -10.755 1.00 0.00 H new ATOM 0 HA LEU B 43 2.445 -9.376 -13.037 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.450 -7.976 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.881 -8.949 -11.241 1.00 0.00 H new ATOM 0 HG LEU B 43 4.422 -10.534 -13.718 1.00 0.00 H new ATOM 0 HD11 LEU B 43 6.613 -9.911 -14.743 1.00 0.00 H new ATOM 0 HD12 LEU B 43 5.494 -8.528 -14.714 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.811 -8.632 -13.521 1.00 0.00 H new ATOM 0 HD21 LEU B 43 6.540 -11.633 -12.977 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.741 -10.385 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU B 43 5.369 -11.516 -11.642 1.00 0.00 H new ATOM 902 N ASP B 44 3.081 -10.993 -10.240 1.00 0.00 N ATOM 903 CA ASP B 44 3.040 -12.312 -9.627 1.00 0.00 C ATOM 904 C ASP B 44 1.649 -12.919 -9.765 1.00 0.00 C ATOM 905 O ASP B 44 1.503 -14.115 -10.010 1.00 0.00 O ATOM 906 CB ASP B 44 3.413 -12.212 -8.148 1.00 0.00 C ATOM 907 CG ASP B 44 4.908 -11.943 -8.002 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.617 -12.101 -8.983 1.00 0.00 O ATOM 909 OD2 ASP B 44 5.321 -11.581 -6.913 1.00 0.00 O ATOM 0 H ASP B 44 3.282 -10.229 -9.595 1.00 0.00 H new ATOM 0 HA ASP B 44 3.757 -12.954 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP B 44 2.844 -11.412 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.150 -13.137 -7.635 1.00 0.00 H new ATOM 914 N ARG B 45 0.631 -12.085 -9.604 1.00 0.00 N ATOM 915 CA ARG B 45 -0.745 -12.547 -9.708 1.00 0.00 C ATOM 916 C ARG B 45 -1.044 -13.051 -11.115 1.00 0.00 C ATOM 917 O ARG B 45 -1.743 -14.046 -11.295 1.00 0.00 O ATOM 918 CB ARG B 45 -1.701 -11.401 -9.356 1.00 0.00 C ATOM 919 CG ARG B 45 -1.644 -11.096 -7.848 1.00 0.00 C ATOM 920 CD ARG B 45 -2.560 -12.051 -7.072 1.00 0.00 C ATOM 921 NE ARG B 45 -2.592 -11.678 -5.662 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.162 -12.471 -4.762 1.00 0.00 C ATOM 923 NH1 ARG B 45 -3.699 -13.599 -5.141 1.00 0.00 N ATOM 924 NH2 ARG B 45 -3.184 -12.122 -3.508 1.00 0.00 N ATOM 0 H ARG B 45 0.731 -11.090 -9.402 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.886 -13.372 -9.009 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.434 -10.510 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.719 -11.668 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.619 -11.194 -7.490 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.947 -10.065 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.567 -12.020 -7.488 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -2.203 -13.076 -7.177 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.172 -10.798 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.680 -13.868 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.138 -14.211 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -2.763 -11.240 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.622 -12.731 -2.817 1.00 0.00 H new ATOM 1127 N VAL C 27 0.760 11.242 7.828 1.00 0.00 N ATOM 1128 CA VAL C 27 1.373 11.247 6.503 1.00 0.00 C ATOM 1129 C VAL C 27 2.745 10.576 6.538 1.00 0.00 C ATOM 1130 O VAL C 27 3.038 9.693 5.731 1.00 0.00 O ATOM 1131 CB VAL C 27 1.526 12.695 6.021 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.337 12.732 4.723 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.142 13.302 5.776 1.00 0.00 C ATOM 0 HA VAL C 27 0.732 10.691 5.819 1.00 0.00 H new ATOM 0 HB VAL C 27 2.048 13.271 6.785 1.00 0.00 H new ATOM 0 HG11 VAL C 27 2.441 13.764 4.388 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.325 12.307 4.899 1.00 0.00 H new ATOM 0 HG13 VAL C 27 1.824 12.152 3.956 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.251 14.331 5.434 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -0.381 12.721 5.017 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -0.431 13.287 6.703 1.00 0.00 H new ATOM 1143 N VAL C 28 3.576 10.995 7.483 1.00 0.00 N ATOM 1144 CA VAL C 28 4.911 10.424 7.617 1.00 0.00 C ATOM 1145 C VAL C 28 4.832 8.975 8.079 1.00 0.00 C ATOM 1146 O VAL C 28 5.564 8.115 7.589 1.00 0.00 O ATOM 1147 CB VAL C 28 5.741 11.240 8.613 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.006 12.630 8.038 1.00 0.00 C ATOM 1149 CG2 VAL C 28 4.977 11.381 9.930 1.00 0.00 C ATOM 0 H VAL C 28 3.353 11.722 8.163 1.00 0.00 H new ATOM 0 HA VAL C 28 5.394 10.455 6.640 1.00 0.00 H new ATOM 0 HB VAL C 28 6.687 10.728 8.793 1.00 0.00 H new ATOM 0 HG11 VAL C 28 6.597 13.210 8.747 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.553 12.537 7.100 1.00 0.00 H new ATOM 0 HG13 VAL C 28 5.058 13.135 7.856 1.00 0.00 H new ATOM 0 HG21 VAL C 28 5.571 11.962 10.635 1.00 0.00 H new ATOM 0 HG22 VAL C 28 4.030 11.889 9.749 1.00 0.00 H new ATOM 0 HG23 VAL C 28 4.784 10.392 10.346 1.00 0.00 H new ATOM 1159 N ALA C 29 3.937 8.714 9.023 1.00 0.00 N ATOM 1160 CA ALA C 29 3.765 7.366 9.551 1.00 0.00 C ATOM 1161 C ALA C 29 3.281 6.421 8.458 1.00 0.00 C ATOM 1162 O ALA C 29 3.705 5.270 8.387 1.00 0.00 O ATOM 1163 CB ALA C 29 2.756 7.374 10.700 1.00 0.00 C ATOM 0 H ALA C 29 3.321 9.414 9.437 1.00 0.00 H new ATOM 0 HA ALA C 29 4.730 7.018 9.919 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.636 6.362 11.086 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.116 8.026 11.496 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.795 7.740 10.338 1.00 0.00 H new ATOM 1169 N ALA C 30 2.390 6.916 7.606 1.00 0.00 N ATOM 1170 CA ALA C 30 1.855 6.101 6.524 1.00 0.00 C ATOM 1171 C ALA C 30 2.971 5.657 5.585 1.00 0.00 C ATOM 1172 O ALA C 30 3.009 4.507 5.151 1.00 0.00 O ATOM 1173 CB ALA C 30 0.815 6.897 5.737 1.00 0.00 C ATOM 0 H ALA C 30 2.026 7.868 7.643 1.00 0.00 H new ATOM 0 HA ALA C 30 1.387 5.218 6.958 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.420 6.281 4.930 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.002 7.190 6.401 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.280 7.789 5.318 1.00 0.00 H new ATOM 1179 N ASN C 31 3.880 6.577 5.274 1.00 0.00 N ATOM 1180 CA ASN C 31 4.989 6.259 4.385 1.00 0.00 C ATOM 1181 C ASN C 31 5.891 5.197 5.008 1.00 0.00 C ATOM 1182 O ASN C 31 6.329 4.266 4.332 1.00 0.00 O ATOM 1183 CB ASN C 31 5.806 7.520 4.103 1.00 0.00 C ATOM 1184 CG ASN C 31 5.011 8.468 3.214 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.071 8.047 2.539 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.332 9.733 3.174 1.00 0.00 N ATOM 0 H ASN C 31 3.870 7.536 5.620 1.00 0.00 H new ATOM 0 HA ASN C 31 4.582 5.870 3.452 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.061 8.015 5.040 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.745 7.254 3.617 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.804 10.375 2.583 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.111 10.079 3.734 1.00 0.00 H new ATOM 1193 N ILE C 32 6.168 5.345 6.300 1.00 0.00 N ATOM 1194 CA ILE C 32 7.020 4.392 7.002 1.00 0.00 C ATOM 1195 C ILE C 32 6.356 3.020 7.058 1.00 0.00 C ATOM 1196 O ILE C 32 7.001 1.997 6.827 1.00 0.00 O ATOM 1197 CB ILE C 32 7.298 4.890 8.425 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.152 6.159 8.358 1.00 0.00 C ATOM 1199 CG2 ILE C 32 8.054 3.811 9.212 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.187 6.820 9.738 1.00 0.00 C ATOM 0 H ILE C 32 5.818 6.109 6.878 1.00 0.00 H new ATOM 0 HA ILE C 32 7.961 4.304 6.459 1.00 0.00 H new ATOM 0 HB ILE C 32 6.353 5.106 8.924 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.163 5.914 8.034 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.740 6.850 7.622 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.250 4.168 10.223 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.451 2.904 9.258 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.999 3.593 8.715 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.794 7.724 9.693 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.173 7.079 10.043 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.618 6.129 10.462 1.00 0.00 H new ATOM 1212 N ILE C 33 5.066 3.006 7.370 1.00 0.00 N ATOM 1213 CA ILE C 33 4.323 1.754 7.458 1.00 0.00 C ATOM 1214 C ILE C 33 4.279 1.065 6.098 1.00 0.00 C ATOM 1215 O ILE C 33 4.468 -0.147 6.000 1.00 0.00 O ATOM 1216 CB ILE C 33 2.898 2.024 7.957 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.943 2.469 9.422 1.00 0.00 C ATOM 1218 CG2 ILE C 33 2.050 0.754 7.835 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.574 3.018 9.831 1.00 0.00 C ATOM 0 H ILE C 33 4.515 3.842 7.565 1.00 0.00 H new ATOM 0 HA ILE C 33 4.829 1.097 8.165 1.00 0.00 H new ATOM 0 HB ILE C 33 2.452 2.811 7.349 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.215 1.628 10.060 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.708 3.233 9.558 1.00 0.00 H new ATOM 0 HG21 ILE C 33 1.040 0.955 8.192 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.011 0.441 6.791 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.495 -0.040 8.435 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.606 3.335 10.873 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.321 3.870 9.200 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.820 2.241 9.711 1.00 0.00 H new ATOM 1231 N GLY C 34 4.020 1.839 5.051 1.00 0.00 N ATOM 1232 CA GLY C 34 3.947 1.279 3.707 1.00 0.00 C ATOM 1233 C GLY C 34 5.274 0.644 3.305 1.00 0.00 C ATOM 1234 O GLY C 34 5.308 -0.468 2.771 1.00 0.00 O ATOM 0 H GLY C 34 3.859 2.845 5.105 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.155 0.532 3.663 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.685 2.063 2.997 1.00 0.00 H new ATOM 1238 N ILE C 35 6.362 1.351 3.571 1.00 0.00 N ATOM 1239 CA ILE C 35 7.690 0.850 3.237 1.00 0.00 C ATOM 1240 C ILE C 35 7.985 -0.417 4.031 1.00 0.00 C ATOM 1241 O ILE C 35 8.520 -1.391 3.496 1.00 0.00 O ATOM 1242 CB ILE C 35 8.743 1.918 3.551 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.567 3.099 2.592 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.146 1.326 3.374 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.347 4.310 3.110 1.00 0.00 C ATOM 0 H ILE C 35 6.354 2.269 4.015 1.00 0.00 H new ATOM 0 HA ILE C 35 7.723 0.617 2.173 1.00 0.00 H new ATOM 0 HB ILE C 35 8.620 2.257 4.580 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.919 2.827 1.597 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.510 3.349 2.499 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.893 2.087 3.598 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.273 0.482 4.052 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.271 0.987 2.346 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.218 5.147 2.424 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.974 4.588 4.096 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.405 4.058 3.180 1.00 0.00 H new ATOM 1257 N LEU C 36 7.631 -0.396 5.308 1.00 0.00 N ATOM 1258 CA LEU C 36 7.867 -1.549 6.165 1.00 0.00 C ATOM 1259 C LEU C 36 7.129 -2.765 5.619 1.00 0.00 C ATOM 1260 O LEU C 36 7.642 -3.883 5.663 1.00 0.00 O ATOM 1261 CB LEU C 36 7.400 -1.254 7.598 1.00 0.00 C ATOM 1262 CG LEU C 36 7.636 -2.480 8.499 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.127 -2.863 8.510 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.171 -2.149 9.926 1.00 0.00 C ATOM 0 H LEU C 36 7.185 0.397 5.769 1.00 0.00 H new ATOM 0 HA LEU C 36 8.937 -1.758 6.181 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.940 -0.394 7.994 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.342 -0.993 7.597 1.00 0.00 H new ATOM 0 HG LEU C 36 7.068 -3.325 8.111 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.275 -3.731 9.152 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.449 -3.102 7.496 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.715 -2.027 8.890 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.334 -3.012 10.571 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.738 -1.299 10.306 1.00 0.00 H new ATOM 0 HD23 LEU C 36 6.110 -1.900 9.914 1.00 0.00 H new ATOM 1276 N HIS C 37 5.924 -2.537 5.110 1.00 0.00 N ATOM 1277 CA HIS C 37 5.122 -3.623 4.563 1.00 0.00 C ATOM 1278 C HIS C 37 5.874 -4.317 3.436 1.00 0.00 C ATOM 1279 O HIS C 37 5.856 -5.544 3.332 1.00 0.00 O ATOM 1280 CB HIS C 37 3.800 -3.075 4.028 1.00 0.00 C ATOM 1281 CG HIS C 37 2.968 -4.215 3.505 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.737 -4.543 4.046 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.182 -5.120 2.496 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.264 -5.602 3.367 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.107 -5.993 2.410 1.00 0.00 N ATOM 0 H HIS C 37 5.484 -1.618 5.065 1.00 0.00 H new ATOM 0 HA HIS C 37 4.923 -4.343 5.357 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.264 -2.550 4.818 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.987 -2.351 3.235 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.057 -5.149 1.863 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.317 -6.078 3.571 1.00 0.00 H new ATOM 0 HE2 HIS C 37 1.987 -6.767 1.756 1.00 0.00 H new ATOM 1293 N LEU C 38 6.533 -3.527 2.598 1.00 0.00 N ATOM 1294 CA LEU C 38 7.288 -4.082 1.478 1.00 0.00 C ATOM 1295 C LEU C 38 8.385 -5.009 1.974 1.00 0.00 C ATOM 1296 O LEU C 38 8.632 -6.049 1.372 1.00 0.00 O ATOM 1297 CB LEU C 38 7.901 -2.947 0.635 1.00 0.00 C ATOM 1298 CG LEU C 38 6.939 -2.539 -0.497 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.252 -1.118 -0.959 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.093 -3.502 -1.689 1.00 0.00 C ATOM 0 H LEU C 38 6.562 -2.510 2.669 1.00 0.00 H new ATOM 0 HA LEU C 38 6.602 -4.658 0.857 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.111 -2.086 1.270 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.852 -3.272 0.213 1.00 0.00 H new ATOM 0 HG LEU C 38 5.917 -2.584 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.568 -0.837 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.135 -0.429 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.278 -1.072 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.410 -3.207 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.118 -3.464 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.860 -4.518 -1.369 1.00 0.00 H new ATOM 1312 N ILE C 39 9.045 -4.632 3.055 1.00 0.00 N ATOM 1313 CA ILE C 39 10.121 -5.456 3.581 1.00 0.00 C ATOM 1314 C ILE C 39 9.587 -6.830 3.994 1.00 0.00 C ATOM 1315 O ILE C 39 10.199 -7.858 3.710 1.00 0.00 O ATOM 1316 CB ILE C 39 10.747 -4.763 4.793 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.454 -3.482 4.332 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.762 -5.693 5.464 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.890 -2.663 5.550 1.00 0.00 C ATOM 0 H ILE C 39 8.860 -3.776 3.579 1.00 0.00 H new ATOM 0 HA ILE C 39 10.874 -5.591 2.805 1.00 0.00 H new ATOM 0 HB ILE C 39 9.964 -4.516 5.510 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.322 -3.734 3.722 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.785 -2.892 3.706 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.202 -5.191 6.325 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.260 -6.603 5.792 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.547 -5.948 4.753 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.392 -1.754 5.217 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.014 -2.398 6.142 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.575 -3.253 6.159 1.00 0.00 H new ATOM 1331 N LEU C 40 8.452 -6.842 4.677 1.00 0.00 N ATOM 1332 CA LEU C 40 7.861 -8.099 5.119 1.00 0.00 C ATOM 1333 C LEU C 40 7.239 -8.858 3.949 1.00 0.00 C ATOM 1334 O LEU C 40 7.388 -10.075 3.838 1.00 0.00 O ATOM 1335 CB LEU C 40 6.801 -7.823 6.179 1.00 0.00 C ATOM 1336 CG LEU C 40 7.397 -6.935 7.274 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.322 -6.639 8.323 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.595 -7.641 7.937 1.00 0.00 C ATOM 0 H LEU C 40 7.926 -6.007 4.935 1.00 0.00 H new ATOM 0 HA LEU C 40 8.651 -8.718 5.543 1.00 0.00 H new ATOM 0 HB2 LEU C 40 5.938 -7.333 5.728 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.447 -8.760 6.608 1.00 0.00 H new ATOM 0 HG LEU C 40 7.744 -6.001 6.832 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.742 -6.007 9.105 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.485 -6.125 7.851 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.973 -7.574 8.761 1.00 0.00 H new ATOM 0 HD21 LEU C 40 9.011 -7.000 8.714 1.00 0.00 H new ATOM 0 HD22 LEU C 40 8.264 -8.580 8.380 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.359 -7.843 7.186 1.00 0.00 H new ATOM 1350 N TRP C 41 6.528 -8.135 3.091 1.00 0.00 N ATOM 1351 CA TRP C 41 5.868 -8.752 1.944 1.00 0.00 C ATOM 1352 C TRP C 41 6.883 -9.275 0.933 1.00 0.00 C ATOM 1353 O TRP C 41 6.764 -10.401 0.450 1.00 0.00 O ATOM 1354 CB TRP C 41 4.934 -7.736 1.275 1.00 0.00 C ATOM 1355 CG TRP C 41 4.417 -8.296 -0.014 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.348 -9.119 -0.135 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.907 -8.062 -1.363 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.178 -9.430 -1.473 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.105 -8.793 -2.266 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.965 -7.295 -1.886 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.344 -8.765 -3.636 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.199 -7.260 -3.269 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.389 -7.994 -4.139 1.00 0.00 C ATOM 0 H TRP C 41 6.394 -7.127 3.166 1.00 0.00 H new ATOM 0 HA TRP C 41 5.286 -9.601 2.303 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.103 -7.500 1.939 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.468 -6.804 1.089 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.731 -9.474 0.677 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.454 -10.055 -1.828 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.600 -6.730 -1.219 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.722 -9.339 -4.307 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.009 -6.663 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.573 -7.963 -5.203 1.00 0.00 H new ATOM 1374 N ILE C 42 7.867 -8.451 0.603 1.00 0.00 N ATOM 1375 CA ILE C 42 8.878 -8.841 -0.369 1.00 0.00 C ATOM 1376 C ILE C 42 9.680 -10.022 0.154 1.00 0.00 C ATOM 1377 O ILE C 42 10.076 -10.906 -0.605 1.00 0.00 O ATOM 1378 CB ILE C 42 9.812 -7.656 -0.656 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.630 -7.946 -1.918 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.768 -7.423 0.528 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.401 -6.688 -2.319 1.00 0.00 C ATOM 0 H ILE C 42 7.987 -7.515 0.991 1.00 0.00 H new ATOM 0 HA ILE C 42 8.383 -9.136 -1.294 1.00 0.00 H new ATOM 0 HB ILE C 42 9.207 -6.761 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.322 -8.768 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.971 -8.257 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.422 -6.580 0.307 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.189 -7.207 1.426 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.370 -8.317 0.690 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.985 -6.890 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.699 -5.878 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE C 42 12.070 -6.398 -1.509 1.00 0.00 H new ATOM 1393 N LEU C 43 9.925 -10.019 1.454 1.00 0.00 N ATOM 1394 CA LEU C 43 10.695 -11.088 2.069 1.00 0.00 C ATOM 1395 C LEU C 43 9.992 -12.425 1.898 1.00 0.00 C ATOM 1396 O LEU C 43 10.626 -13.429 1.581 1.00 0.00 O ATOM 1397 CB LEU C 43 10.896 -10.795 3.560 1.00 0.00 C ATOM 1398 CG LEU C 43 11.687 -11.951 4.238 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.727 -11.383 5.215 1.00 0.00 C ATOM 1400 CD2 LEU C 43 10.733 -12.872 5.022 1.00 0.00 C ATOM 0 H LEU C 43 9.606 -9.296 2.099 1.00 0.00 H new ATOM 0 HA LEU C 43 11.666 -11.141 1.576 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.435 -9.856 3.683 1.00 0.00 H new ATOM 0 HB3 LEU C 43 9.928 -10.673 4.047 1.00 0.00 H new ATOM 0 HG LEU C 43 12.185 -12.520 3.453 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.273 -12.203 5.682 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.425 -10.744 4.673 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.222 -10.798 5.984 1.00 0.00 H new ATOM 0 HD21 LEU C 43 11.304 -13.674 5.489 1.00 0.00 H new ATOM 0 HD22 LEU C 43 10.221 -12.295 5.792 1.00 0.00 H new ATOM 0 HD23 LEU C 43 9.998 -13.299 4.340 1.00 0.00 H new ATOM 1412 N ASP C 44 8.683 -12.430 2.103 1.00 0.00 N ATOM 1413 CA ASP C 44 7.907 -13.652 1.965 1.00 0.00 C ATOM 1414 C ASP C 44 7.972 -14.167 0.534 1.00 0.00 C ATOM 1415 O ASP C 44 8.063 -15.371 0.296 1.00 0.00 O ATOM 1416 CB ASP C 44 6.450 -13.393 2.356 1.00 0.00 C ATOM 1417 CG ASP C 44 6.333 -13.224 3.866 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.280 -13.561 4.557 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.300 -12.754 4.312 1.00 0.00 O ATOM 0 H ASP C 44 8.139 -11.607 2.364 1.00 0.00 H new ATOM 0 HA ASP C 44 8.329 -14.407 2.628 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.084 -12.498 1.853 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.824 -14.222 2.026 1.00 0.00 H new ATOM 1424 N ARG C 45 7.922 -13.245 -0.418 1.00 0.00 N ATOM 1425 CA ARG C 45 7.971 -13.611 -1.827 1.00 0.00 C ATOM 1426 C ARG C 45 9.305 -14.265 -2.170 1.00 0.00 C ATOM 1427 O ARG C 45 9.360 -15.223 -2.942 1.00 0.00 O ATOM 1428 CB ARG C 45 7.774 -12.361 -2.691 1.00 0.00 C ATOM 1429 CG ARG C 45 6.317 -11.871 -2.602 1.00 0.00 C ATOM 1430 CD ARG C 45 5.429 -12.645 -3.587 1.00 0.00 C ATOM 1431 NE ARG C 45 4.078 -12.097 -3.583 1.00 0.00 N ATOM 1432 CZ ARG C 45 3.089 -12.722 -4.204 1.00 0.00 C ATOM 1433 NH1 ARG C 45 3.322 -13.844 -4.830 1.00 0.00 N ATOM 1434 NH2 ARG C 45 1.888 -12.217 -4.192 1.00 0.00 N ATOM 0 H ARG C 45 7.848 -12.243 -0.242 1.00 0.00 H new ATOM 0 HA ARG C 45 7.173 -14.326 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG C 45 8.450 -11.573 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.027 -12.584 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG C 45 5.944 -12.003 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.271 -10.805 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG C 45 5.850 -12.587 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG C 45 5.403 -13.700 -3.313 1.00 0.00 H new ATOM 0 HE ARG C 45 3.892 -11.221 -3.095 1.00 0.00 H new ATOM 0 HH11 ARG C 45 4.263 -14.237 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG C 45 2.563 -14.328 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG C 45 1.709 -11.339 -3.704 1.00 0.00 H new ATOM 0 HH22 ARG C 45 1.127 -12.699 -4.671 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.580 11.998 1.745 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.261 11.796 2.340 1.00 0.00 C ATOM 1639 C VAL D 27 -5.371 11.025 3.654 1.00 0.00 C ATOM 1640 O VAL D 27 -4.675 10.033 3.866 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.608 13.158 2.600 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.311 12.977 3.392 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.295 13.838 1.264 1.00 0.00 C ATOM 0 HA VAL D 27 -4.651 11.216 1.648 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.296 13.777 3.176 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.855 13.951 3.571 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.531 12.498 4.346 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.622 12.353 2.823 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.831 14.807 1.449 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.613 13.212 0.688 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.219 13.980 0.703 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.257 11.485 4.528 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.454 10.831 5.816 1.00 0.00 C ATOM 1655 C VAL D 28 -7.083 9.456 5.628 1.00 0.00 C ATOM 1656 O VAL D 28 -6.701 8.491 6.286 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.343 11.689 6.719 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -6.603 12.976 7.085 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -8.635 12.046 5.986 1.00 0.00 C ATOM 0 H VAL D 28 -6.847 12.302 4.371 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.480 10.710 6.289 1.00 0.00 H new ATOM 0 HB VAL D 28 -7.582 11.129 7.623 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -7.235 13.589 7.728 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -5.681 12.729 7.611 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -6.365 13.530 6.177 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -9.264 12.657 6.634 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -8.397 12.604 5.080 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -9.167 11.132 5.720 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.057 9.381 4.727 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.740 8.123 4.457 1.00 0.00 C ATOM 1671 C ALA D 29 -7.768 7.097 3.885 1.00 0.00 C ATOM 1672 O ALA D 29 -7.833 5.915 4.218 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.885 8.347 3.468 1.00 0.00 C ATOM 0 H ALA D 29 -8.389 10.172 4.175 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.142 7.744 5.397 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.388 7.400 3.274 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.597 9.056 3.890 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.487 8.745 2.534 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.869 7.554 3.023 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.894 6.662 2.411 1.00 0.00 C ATOM 1681 C ALA D 30 -5.010 6.025 3.477 1.00 0.00 C ATOM 1682 O ALA D 30 -4.717 4.832 3.421 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.021 7.437 1.423 1.00 0.00 C ATOM 0 H ALA D 30 -6.795 8.529 2.734 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.433 5.877 1.881 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.295 6.761 0.971 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.649 7.869 0.644 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.496 8.234 1.949 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.587 6.827 4.449 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.736 6.320 5.518 1.00 0.00 C ATOM 1691 C ASN D 31 -4.478 5.272 6.343 1.00 0.00 C ATOM 1692 O ASN D 31 -3.916 4.237 6.696 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.305 7.472 6.428 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.306 8.365 5.699 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.688 7.939 4.725 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.117 9.588 6.114 1.00 0.00 N ATOM 0 H ASN D 31 -4.816 7.818 4.518 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.856 5.858 5.070 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.176 8.055 6.728 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.856 7.078 7.340 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.455 10.194 5.630 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.632 9.938 6.922 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.743 5.550 6.647 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.551 4.621 7.431 1.00 0.00 C ATOM 1705 C ILE D 32 -6.772 3.321 6.661 1.00 0.00 C ATOM 1706 O ILE D 32 -6.660 2.231 7.220 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.902 5.260 7.768 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.681 6.437 8.719 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.809 4.225 8.446 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -8.968 7.254 8.824 1.00 0.00 C ATOM 0 H ILE D 32 -6.227 6.403 6.366 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.019 4.394 8.355 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.375 5.610 6.851 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.387 6.073 9.703 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.867 7.065 8.355 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.769 4.683 8.684 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.966 3.382 7.773 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.337 3.873 9.363 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.812 8.093 9.502 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.242 7.630 7.838 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.770 6.623 9.207 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.088 3.449 5.377 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.326 2.279 4.541 1.00 0.00 C ATOM 1724 C ILE D 33 -6.058 1.440 4.421 1.00 0.00 C ATOM 1725 O ILE D 33 -6.105 0.214 4.513 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.797 2.721 3.147 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.199 3.330 3.250 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.830 1.518 2.201 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.549 4.031 1.935 1.00 0.00 C ATOM 0 H ILE D 33 -7.185 4.343 4.896 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.101 1.670 5.006 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.104 3.465 2.755 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.931 2.551 3.465 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.238 4.041 4.075 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.165 1.840 1.215 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.831 1.089 2.123 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.518 0.767 2.591 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.546 4.464 2.008 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.824 4.821 1.739 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.526 3.308 1.120 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.928 2.103 4.210 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.662 1.395 4.073 1.00 0.00 C ATOM 1743 C GLY D 34 -3.332 0.612 5.340 1.00 0.00 C ATOM 1744 O GLY D 34 -2.931 -0.553 5.279 1.00 0.00 O ATOM 0 H GLY D 34 -4.862 3.118 4.131 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.713 0.714 3.223 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.864 2.107 3.864 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.507 1.258 6.485 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.230 0.615 7.763 1.00 0.00 C ATOM 1750 C ILE D 35 -4.167 -0.569 7.969 1.00 0.00 C ATOM 1751 O ILE D 35 -3.749 -1.639 8.418 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.410 1.624 8.904 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.317 2.693 8.808 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.301 0.904 10.252 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.682 3.887 9.691 1.00 0.00 C ATOM 0 H ILE D 35 -3.837 2.220 6.556 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.201 0.256 7.761 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.391 2.092 8.824 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.360 2.277 9.121 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.201 3.016 7.773 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.429 1.624 11.060 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.075 0.140 10.320 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.321 0.435 10.336 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.902 4.645 9.619 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.630 4.310 9.358 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.775 3.559 10.726 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.435 -0.371 7.635 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.423 -1.429 7.792 1.00 0.00 C ATOM 1769 C LEU D 36 -6.027 -2.637 6.953 1.00 0.00 C ATOM 1770 O LEU D 36 -6.201 -3.779 7.377 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.811 -0.931 7.369 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.852 -2.057 7.520 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -8.900 -2.555 8.975 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.229 -1.526 7.101 1.00 0.00 C ATOM 0 H LEU D 36 -5.801 0.503 7.257 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.461 -1.719 8.842 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.100 -0.075 7.980 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.782 -0.589 6.334 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.571 -2.894 6.881 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.640 -3.350 9.063 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -7.920 -2.938 9.261 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.173 -1.730 9.633 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -10.971 -2.317 7.205 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.504 -0.685 7.737 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.192 -1.198 6.062 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.502 -2.375 5.763 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.090 -3.449 4.872 1.00 0.00 C ATOM 1788 C HIS D 37 -4.051 -4.330 5.549 1.00 0.00 C ATOM 1789 O HIS D 37 -4.095 -5.556 5.434 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.500 -2.865 3.589 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.120 -3.987 2.662 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.696 -4.145 1.414 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.227 -5.020 2.790 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.149 -5.235 0.849 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.247 -5.805 1.645 1.00 0.00 N ATOM 0 H HIS D 37 -5.353 -1.435 5.395 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.965 -4.052 4.629 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.225 -2.209 3.107 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.625 -2.257 3.821 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.602 -5.196 3.653 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.410 -5.604 -0.132 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.691 -6.638 1.455 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.120 -3.701 6.256 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.074 -4.444 6.948 1.00 0.00 C ATOM 1805 C LEU D 38 -2.671 -5.391 7.975 1.00 0.00 C ATOM 1806 O LEU D 38 -2.197 -6.510 8.133 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.098 -3.468 7.637 1.00 0.00 C ATOM 1808 CG LEU D 38 0.070 -3.120 6.691 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.705 -1.793 7.113 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.138 -4.228 6.743 1.00 0.00 C ATOM 0 H LEU D 38 -3.067 -2.688 6.365 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.530 -5.035 6.211 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.625 -2.558 7.924 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.712 -3.915 8.553 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.317 -3.034 5.676 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.529 -1.554 6.441 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.043 -1.001 7.067 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.082 -1.878 8.132 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.959 -3.974 6.072 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.517 -4.321 7.761 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.696 -5.175 6.433 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.697 -4.941 8.678 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.313 -5.782 9.693 1.00 0.00 C ATOM 1824 C ILE D 39 -4.888 -7.049 9.057 1.00 0.00 C ATOM 1825 O ILE D 39 -4.726 -8.150 9.583 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.429 -5.001 10.389 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.816 -3.845 11.189 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.202 -5.927 11.336 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.927 -2.930 11.708 1.00 0.00 C ATOM 0 H ILE D 39 -4.115 -4.017 8.569 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.557 -6.071 10.423 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.114 -4.606 9.639 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.234 -4.236 12.024 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.130 -3.279 10.560 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.995 -5.364 11.828 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.639 -6.747 10.766 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.522 -6.329 12.087 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.487 -2.110 12.276 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.490 -2.527 10.866 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.596 -3.500 12.353 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.573 -6.889 7.933 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.162 -8.035 7.254 1.00 0.00 C ATOM 1843 C LEU D 40 -5.095 -8.875 6.557 1.00 0.00 C ATOM 1844 O LEU D 40 -5.127 -10.104 6.608 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.186 -7.551 6.232 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.165 -6.590 6.913 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.176 -6.089 5.878 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.902 -7.306 8.058 1.00 0.00 C ATOM 0 H LEU D 40 -5.733 -5.991 7.477 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.651 -8.661 8.001 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.683 -7.050 5.405 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.725 -8.399 5.810 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.614 -5.746 7.328 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.877 -5.404 6.356 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.650 -5.570 5.077 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.722 -6.936 5.463 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.595 -6.613 8.534 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.456 -8.156 7.659 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.178 -7.658 8.793 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.160 -8.204 5.892 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.098 -8.896 5.170 1.00 0.00 C ATOM 1862 C TRP D 41 -2.151 -9.615 6.126 1.00 0.00 C ATOM 1863 O TRP D 41 -1.805 -10.777 5.912 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.315 -7.896 4.310 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.106 -8.561 3.732 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.087 -9.305 2.601 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.264 -8.528 4.222 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.203 -9.757 2.388 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.071 -9.295 3.354 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.879 -7.915 5.329 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.435 -9.449 3.573 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.256 -8.062 5.546 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.031 -8.828 4.669 1.00 0.00 C ATOM 0 H TRP D 41 -4.116 -7.186 5.838 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.560 -9.646 4.528 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.950 -7.516 3.509 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.016 -7.039 4.914 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.938 -9.512 1.969 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.478 -10.358 1.611 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.287 -7.328 6.015 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.029 -10.046 2.898 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.721 -7.582 6.394 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.091 -8.938 4.841 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.721 -8.918 7.166 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.800 -9.501 8.131 1.00 0.00 C ATOM 1886 C ILE D 42 -1.456 -10.671 8.844 1.00 0.00 C ATOM 1887 O ILE D 42 -0.807 -11.668 9.159 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.370 -8.437 9.153 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.852 -8.939 9.928 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.513 -8.140 10.139 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.403 -7.802 10.788 1.00 0.00 C ATOM 0 H ILE D 42 -1.992 -7.955 7.364 1.00 0.00 H new ATOM 0 HA ILE D 42 0.081 -9.863 7.601 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.121 -7.520 8.619 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.576 -9.786 10.557 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.617 -9.291 9.236 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.189 -7.384 10.855 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.380 -7.772 9.591 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.781 -9.053 10.671 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.273 -8.154 11.342 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.693 -6.969 10.148 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.636 -7.471 11.489 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.745 -10.535 9.107 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.479 -11.582 9.798 1.00 0.00 C ATOM 1905 C LEU D 43 -3.470 -12.870 8.989 1.00 0.00 C ATOM 1906 O LEU D 43 -3.274 -13.953 9.537 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.925 -11.131 10.041 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.734 -12.258 10.747 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.629 -11.665 11.842 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -6.623 -13.001 9.734 1.00 0.00 C ATOM 0 H LEU D 43 -3.301 -9.718 8.855 1.00 0.00 H new ATOM 0 HA LEU D 43 -2.992 -11.771 10.755 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -4.933 -10.230 10.654 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.397 -10.875 9.092 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.022 -12.955 11.189 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -7.189 -12.465 12.327 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.011 -11.155 12.581 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -7.325 -10.953 11.398 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.181 -13.785 10.246 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.320 -12.298 9.278 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -5.998 -13.447 8.960 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.680 -12.745 7.686 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.692 -13.910 6.814 1.00 0.00 C ATOM 1924 C ASP D 44 -2.330 -14.592 6.818 1.00 0.00 C ATOM 1925 O ASP D 44 -2.238 -15.819 6.814 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.052 -13.490 5.388 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.531 -13.132 5.304 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.254 -13.456 6.231 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.921 -12.537 4.314 1.00 0.00 O ATOM 0 H ASP D 44 -3.843 -11.856 7.213 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.439 -14.612 7.184 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.446 -12.635 5.089 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.826 -14.300 4.694 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.276 -13.788 6.828 1.00 0.00 N ATOM 1935 CA ARG D 45 0.079 -14.321 6.828 1.00 0.00 C ATOM 1936 C ARG D 45 0.347 -15.115 8.101 1.00 0.00 C ATOM 1937 O ARG D 45 1.000 -16.159 8.071 1.00 0.00 O ATOM 1938 CB ARG D 45 1.086 -13.171 6.719 1.00 0.00 C ATOM 1939 CG ARG D 45 1.050 -12.558 5.308 1.00 0.00 C ATOM 1940 CD ARG D 45 1.928 -13.370 4.346 1.00 0.00 C ATOM 1941 NE ARG D 45 1.983 -12.716 3.044 1.00 0.00 N ATOM 1942 CZ ARG D 45 2.525 -13.330 1.999 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.012 -14.533 2.133 1.00 0.00 N ATOM 1944 NH2 ARG D 45 2.568 -12.731 0.843 1.00 0.00 N ATOM 0 H ARG D 45 -1.332 -12.770 6.836 1.00 0.00 H new ATOM 0 HA ARG D 45 0.188 -14.988 5.973 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.856 -12.406 7.461 1.00 0.00 H new ATOM 0 HB3 ARG D 45 2.089 -13.536 6.938 1.00 0.00 H new ATOM 0 HG2 ARG D 45 0.024 -12.535 4.941 1.00 0.00 H new ATOM 0 HG3 ARG D 45 1.399 -11.526 5.345 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.934 -13.469 4.755 1.00 0.00 H new ATOM 0 HD3 ARG D 45 1.527 -14.378 4.239 1.00 0.00 H new ATOM 0 HE ARG D 45 1.601 -11.777 2.935 1.00 0.00 H new ATOM 0 HH11 ARG D 45 2.976 -15.000 3.039 1.00 0.00 H new ATOM 0 HH12 ARG D 45 3.429 -15.007 1.332 1.00 0.00 H new ATOM 0 HH21 ARG D 45 2.185 -11.791 0.741 1.00 0.00 H new ATOM 0 HH22 ARG D 45 2.984 -13.202 0.040 1.00 0.00 H new