USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=1 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 :FLIP amide:sc= -2.66 F(o=-3.2!,f=-2.7) USER MOD Single : A 37 HIS : no HD1:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -3.55! X(o=-3.5!,f=-3.1) USER MOD Single : B 37 HIS : no HD1:sc= -9.73! C(o=-9.7!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -2.27! X(o=-2.3!,f=-2.4) USER MOD Single : C 37 HIS : no HD1:sc= -9.95! C(o=-10!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -2.41! X(o=-2.4!,f=-2.6) USER MOD Single : D 37 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.878 12.925 -5.146 1.00 0.00 N ATOM 108 CA VAL A 27 -1.550 12.445 -3.945 1.00 0.00 C ATOM 109 C VAL A 27 -2.859 11.748 -4.307 1.00 0.00 C ATOM 110 O VAL A 27 -3.152 10.660 -3.812 1.00 0.00 O ATOM 111 CB VAL A 27 -1.838 13.617 -3.004 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.658 13.127 -1.808 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.516 14.206 -2.508 1.00 0.00 C ATOM 0 HA VAL A 27 -0.896 11.730 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.401 14.381 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.862 13.963 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.600 12.706 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.097 12.362 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.719 15.041 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.046 13.440 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.068 14.557 -3.359 1.00 0.00 H new ATOM 123 N VAL A 28 -3.643 12.382 -5.171 1.00 0.00 N ATOM 124 CA VAL A 28 -4.920 11.815 -5.590 1.00 0.00 C ATOM 125 C VAL A 28 -4.702 10.494 -6.320 1.00 0.00 C ATOM 126 O VAL A 28 -5.396 9.510 -6.064 1.00 0.00 O ATOM 127 CB VAL A 28 -5.652 12.794 -6.509 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.941 12.149 -7.022 1.00 0.00 C ATOM 129 CG2 VAL A 28 -5.993 14.066 -5.729 1.00 0.00 C ATOM 0 H VAL A 28 -3.419 13.283 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.525 11.633 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.012 13.046 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.462 12.848 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.698 11.243 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.582 11.896 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.515 14.765 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.633 13.814 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.075 14.527 -5.365 1.00 0.00 H new ATOM 139 N ALA A 29 -3.738 10.480 -7.234 1.00 0.00 N ATOM 140 CA ALA A 29 -3.443 9.276 -8.001 1.00 0.00 C ATOM 141 C ALA A 29 -3.002 8.146 -7.075 1.00 0.00 C ATOM 142 O ALA A 29 -3.393 6.995 -7.257 1.00 0.00 O ATOM 143 CB ALA A 29 -2.337 9.561 -9.019 1.00 0.00 C ATOM 0 H ALA A 29 -3.151 11.283 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.349 8.972 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.123 8.656 -9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.663 10.348 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.436 9.883 -8.497 1.00 0.00 H new ATOM 149 N ALA A 30 -2.188 8.485 -6.082 1.00 0.00 N ATOM 150 CA ALA A 30 -1.700 7.488 -5.136 1.00 0.00 C ATOM 151 C ALA A 30 -2.860 6.857 -4.372 1.00 0.00 C ATOM 152 O ALA A 30 -2.900 5.642 -4.178 1.00 0.00 O ATOM 153 CB ALA A 30 -0.733 8.139 -4.145 1.00 0.00 C ATOM 0 H ALA A 30 -1.854 9.434 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.182 6.709 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.373 7.388 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.112 8.564 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.248 8.929 -3.600 1.00 0.00 H new ATOM 159 N ASN A 31 -3.802 7.689 -3.941 1.00 0.00 N ATOM 160 CA ASN A 31 -4.957 7.199 -3.199 1.00 0.00 C ATOM 161 C ASN A 31 -5.821 6.300 -4.078 1.00 0.00 C ATOM 162 O ASN A 31 -6.293 5.253 -3.636 1.00 0.00 O ATOM 163 CB ASN A 31 -5.793 8.379 -2.697 1.00 0.00 C ATOM 164 CG ASN A 31 -7.037 7.868 -1.978 1.00 0.00 C ATOM 165 OD1 ASN A 31 -6.915 7.285 -0.817 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -8.150 8.006 -2.487 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.789 8.698 -4.091 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.598 6.618 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.199 8.995 -2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.082 9.013 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.243 8.462 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.979 7.664 -2.001 1.00 0.00 H new ATOM 173 N ILE A 32 -6.029 6.718 -5.321 1.00 0.00 N ATOM 174 CA ILE A 32 -6.845 5.945 -6.248 1.00 0.00 C ATOM 175 C ILE A 32 -6.191 4.599 -6.547 1.00 0.00 C ATOM 176 O ILE A 32 -6.857 3.562 -6.555 1.00 0.00 O ATOM 177 CB ILE A 32 -7.035 6.725 -7.552 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.884 7.971 -7.280 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.745 5.843 -8.580 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.820 8.904 -8.491 1.00 0.00 C ATOM 0 H ILE A 32 -5.647 7.581 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.816 5.768 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.061 7.022 -7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.917 7.685 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.520 8.486 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.879 6.400 -9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.144 4.955 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.719 5.544 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.424 9.791 -8.299 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.786 9.200 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.205 8.386 -9.370 1.00 0.00 H new ATOM 192 N ILE A 33 -4.886 4.624 -6.794 1.00 0.00 N ATOM 193 CA ILE A 33 -4.154 3.400 -7.092 1.00 0.00 C ATOM 194 C ILE A 33 -4.161 2.464 -5.888 1.00 0.00 C ATOM 195 O ILE A 33 -4.368 1.259 -6.030 1.00 0.00 O ATOM 196 CB ILE A 33 -2.712 3.737 -7.480 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.700 4.463 -8.828 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.896 2.447 -7.591 1.00 0.00 C ATOM 199 CD1 ILE A 33 -1.312 5.057 -9.079 1.00 0.00 C ATOM 0 H ILE A 33 -4.318 5.471 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.644 2.897 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.274 4.380 -6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.960 3.770 -9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.451 5.253 -8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.870 2.688 -7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.901 1.929 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.335 1.803 -8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.305 5.573 -10.039 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.070 5.764 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.571 4.258 -9.092 1.00 0.00 H new ATOM 211 N GLY A 34 -3.929 3.027 -4.708 1.00 0.00 N ATOM 212 CA GLY A 34 -3.905 2.232 -3.485 1.00 0.00 C ATOM 213 C GLY A 34 -5.265 1.582 -3.236 1.00 0.00 C ATOM 214 O GLY A 34 -5.352 0.386 -2.953 1.00 0.00 O ATOM 0 H GLY A 34 -3.756 4.023 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.137 1.462 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.639 2.865 -2.639 1.00 0.00 H new ATOM 218 N ILE A 35 -6.322 2.378 -3.353 1.00 0.00 N ATOM 219 CA ILE A 35 -7.676 1.872 -3.148 1.00 0.00 C ATOM 220 C ILE A 35 -8.010 0.814 -4.197 1.00 0.00 C ATOM 221 O ILE A 35 -8.596 -0.227 -3.886 1.00 0.00 O ATOM 222 CB ILE A 35 -8.681 3.021 -3.227 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.477 3.958 -2.033 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.105 2.457 -3.190 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.213 5.273 -2.284 1.00 0.00 C ATOM 0 H ILE A 35 -6.270 3.369 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.734 1.416 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.530 3.572 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.849 3.489 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.414 4.147 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.822 3.276 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.253 1.786 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.254 1.907 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.067 5.939 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.820 5.744 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.277 5.076 -2.412 1.00 0.00 H new ATOM 237 N LEU A 36 -7.634 1.089 -5.441 1.00 0.00 N ATOM 238 CA LEU A 36 -7.901 0.157 -6.524 1.00 0.00 C ATOM 239 C LEU A 36 -7.238 -1.188 -6.240 1.00 0.00 C ATOM 240 O LEU A 36 -7.809 -2.244 -6.514 1.00 0.00 O ATOM 241 CB LEU A 36 -7.369 0.722 -7.848 1.00 0.00 C ATOM 242 CG LEU A 36 -7.539 -0.314 -8.964 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.015 -0.727 -9.064 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.088 0.290 -10.292 1.00 0.00 C ATOM 0 H LEU A 36 -7.148 1.941 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.979 0.014 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.904 1.636 -8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.317 0.987 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.933 -1.191 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.134 -1.464 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.337 -1.160 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.624 0.149 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.209 -0.447 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.693 1.168 -10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.040 0.580 -10.222 1.00 0.00 H new ATOM 256 N HIS A 37 -6.026 -1.142 -5.701 1.00 0.00 N ATOM 257 CA HIS A 37 -5.290 -2.363 -5.393 1.00 0.00 C ATOM 258 C HIS A 37 -6.084 -3.232 -4.427 1.00 0.00 C ATOM 259 O HIS A 37 -6.123 -4.456 -4.564 1.00 0.00 O ATOM 260 CB HIS A 37 -3.938 -2.013 -4.772 1.00 0.00 C ATOM 261 CG HIS A 37 -3.185 -3.281 -4.465 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.968 -3.584 -5.047 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.466 -4.335 -3.633 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.569 -4.773 -4.566 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.446 -5.273 -3.698 1.00 0.00 N ATOM 0 H HIS A 37 -5.534 -0.279 -5.469 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.132 -2.916 -6.319 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.361 -1.391 -5.457 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.083 -1.433 -3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.350 -4.422 -3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.649 -5.263 -4.849 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.382 -6.155 -3.190 1.00 0.00 H new ATOM 273 N LEU A 38 -6.712 -2.596 -3.447 1.00 0.00 N ATOM 274 CA LEU A 38 -7.501 -3.332 -2.468 1.00 0.00 C ATOM 275 C LEU A 38 -8.627 -4.097 -3.139 1.00 0.00 C ATOM 276 O LEU A 38 -8.932 -5.215 -2.759 1.00 0.00 O ATOM 277 CB LEU A 38 -8.082 -2.355 -1.427 1.00 0.00 C ATOM 278 CG LEU A 38 -7.134 -2.243 -0.221 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.388 -0.935 0.519 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.385 -3.426 0.730 1.00 0.00 C ATOM 0 H LEU A 38 -6.692 -1.586 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.848 -4.050 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.226 -1.373 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.062 -2.702 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.101 -2.261 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.713 -0.862 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.213 -0.096 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.420 -0.910 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.716 -3.352 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.419 -3.403 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.198 -4.362 0.204 1.00 0.00 H new ATOM 292 N ILE A 39 -9.250 -3.480 -4.123 1.00 0.00 N ATOM 293 CA ILE A 39 -10.364 -4.115 -4.817 1.00 0.00 C ATOM 294 C ILE A 39 -9.900 -5.420 -5.455 1.00 0.00 C ATOM 295 O ILE A 39 -10.587 -6.437 -5.377 1.00 0.00 O ATOM 296 CB ILE A 39 -10.897 -3.176 -5.902 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.486 -1.925 -5.242 1.00 0.00 C ATOM 298 CG2 ILE A 39 -11.995 -3.888 -6.700 1.00 0.00 C ATOM 299 CD1 ILE A 39 -11.874 -0.910 -6.321 1.00 0.00 C ATOM 0 H ILE A 39 -9.011 -2.548 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.157 -4.328 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.084 -2.894 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.360 -2.192 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.759 -1.485 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.375 -3.220 -7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.584 -4.784 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.808 -4.168 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.293 -0.021 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.990 -0.634 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.616 -1.352 -6.986 1.00 0.00 H new ATOM 311 N LEU A 40 -8.737 -5.386 -6.088 1.00 0.00 N ATOM 312 CA LEU A 40 -8.195 -6.582 -6.725 1.00 0.00 C ATOM 313 C LEU A 40 -7.676 -7.567 -5.687 1.00 0.00 C ATOM 314 O LEU A 40 -7.916 -8.772 -5.787 1.00 0.00 O ATOM 315 CB LEU A 40 -7.057 -6.187 -7.682 1.00 0.00 C ATOM 316 CG LEU A 40 -7.646 -5.709 -9.015 1.00 0.00 C ATOM 317 CD1 LEU A 40 -8.277 -6.902 -9.765 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.719 -4.645 -8.746 1.00 0.00 C ATOM 0 H LEU A 40 -8.154 -4.554 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.995 -7.066 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.452 -5.397 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.397 -7.038 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.853 -5.280 -9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.694 -6.557 -10.711 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.513 -7.655 -9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.070 -7.337 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.139 -4.304 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.511 -5.074 -8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.271 -3.800 -8.223 1.00 0.00 H new ATOM 330 N TRP A 41 -6.944 -7.049 -4.709 1.00 0.00 N ATOM 331 CA TRP A 41 -6.375 -7.890 -3.667 1.00 0.00 C ATOM 332 C TRP A 41 -7.474 -8.532 -2.833 1.00 0.00 C ATOM 333 O TRP A 41 -7.374 -9.697 -2.446 1.00 0.00 O ATOM 334 CB TRP A 41 -5.446 -7.072 -2.777 1.00 0.00 C ATOM 335 CG TRP A 41 -4.944 -7.941 -1.665 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.903 -8.804 -1.765 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.395 -8.004 -0.282 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.722 -9.422 -0.539 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.613 -8.954 0.405 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.408 -7.341 0.432 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.823 -9.232 1.751 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.619 -7.617 1.791 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.831 -8.564 2.446 1.00 0.00 C ATOM 0 H TRP A 41 -6.732 -6.056 -4.617 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.798 -8.683 -4.143 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.610 -6.686 -3.360 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.976 -6.210 -2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.313 -8.980 -2.653 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.017 -10.136 -0.356 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -7.029 -6.613 -0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.208 -9.962 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.394 -7.095 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.001 -8.780 3.490 1.00 0.00 H new ATOM 354 N ILE A 42 -8.519 -7.766 -2.557 1.00 0.00 N ATOM 355 CA ILE A 42 -9.634 -8.274 -1.774 1.00 0.00 C ATOM 356 C ILE A 42 -10.342 -9.402 -2.517 1.00 0.00 C ATOM 357 O ILE A 42 -10.644 -10.436 -1.939 1.00 0.00 O ATOM 358 CB ILE A 42 -10.630 -7.140 -1.487 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.068 -6.220 -0.400 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.966 -7.727 -1.016 1.00 0.00 C ATOM 361 CD1 ILE A 42 -10.910 -4.949 -0.316 1.00 0.00 C ATOM 0 H ILE A 42 -8.618 -6.797 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.246 -8.664 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.789 -6.568 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.070 -6.733 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.032 -5.967 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.668 -6.918 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.373 -8.375 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.808 -8.306 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.507 -4.296 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.885 -4.432 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.940 -5.210 -0.071 1.00 0.00 H new ATOM 373 N LEU A 43 -10.609 -9.188 -3.794 1.00 0.00 N ATOM 374 CA LEU A 43 -11.292 -10.189 -4.601 1.00 0.00 C ATOM 375 C LEU A 43 -10.430 -11.433 -4.754 1.00 0.00 C ATOM 376 O LEU A 43 -10.934 -12.552 -4.760 1.00 0.00 O ATOM 377 CB LEU A 43 -11.620 -9.615 -5.980 1.00 0.00 C ATOM 378 CG LEU A 43 -12.685 -8.519 -5.840 1.00 0.00 C ATOM 379 CD1 LEU A 43 -12.773 -7.724 -7.146 1.00 0.00 C ATOM 380 CD2 LEU A 43 -14.055 -9.154 -5.534 1.00 0.00 C ATOM 0 H LEU A 43 -10.365 -8.333 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.218 -10.465 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.720 -9.205 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.981 -10.406 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.408 -7.853 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.529 -6.945 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.807 -7.267 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.046 -8.393 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.806 -8.370 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.335 -9.825 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.995 -9.717 -4.603 1.00 0.00 H new ATOM 392 N ASP A 44 -9.129 -11.225 -4.896 1.00 0.00 N ATOM 393 CA ASP A 44 -8.206 -12.339 -5.072 1.00 0.00 C ATOM 394 C ASP A 44 -8.295 -13.297 -3.892 1.00 0.00 C ATOM 395 O ASP A 44 -8.302 -14.515 -4.073 1.00 0.00 O ATOM 396 CB ASP A 44 -6.775 -11.811 -5.191 1.00 0.00 C ATOM 397 CG ASP A 44 -6.593 -11.087 -6.523 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.376 -11.340 -7.423 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.670 -10.294 -6.622 1.00 0.00 O ATOM 0 H ASP A 44 -8.691 -10.304 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.477 -12.874 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.560 -11.132 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.067 -12.636 -5.117 1.00 0.00 H new ATOM 404 N ARG A 45 -8.355 -12.746 -2.686 1.00 0.00 N ATOM 405 CA ARG A 45 -8.437 -13.573 -1.486 1.00 0.00 C ATOM 406 C ARG A 45 -9.744 -14.357 -1.449 1.00 0.00 C ATOM 407 O ARG A 45 -9.741 -15.576 -1.286 1.00 0.00 O ATOM 408 CB ARG A 45 -8.333 -12.688 -0.242 1.00 0.00 C ATOM 409 CG ARG A 45 -8.367 -13.565 1.011 1.00 0.00 C ATOM 410 CD ARG A 45 -8.015 -12.718 2.237 1.00 0.00 C ATOM 411 NE ARG A 45 -6.628 -12.273 2.159 1.00 0.00 N ATOM 412 CZ ARG A 45 -5.622 -13.130 2.291 1.00 0.00 C ATOM 413 NH1 ARG A 45 -5.866 -14.396 2.496 1.00 0.00 N ATOM 414 NH2 ARG A 45 -4.390 -12.708 2.218 1.00 0.00 N ATOM 0 H ARG A 45 -8.349 -11.741 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.611 -14.284 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.409 -12.110 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.156 -11.973 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.356 -14.006 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.661 -14.389 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.679 -11.855 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.168 -13.300 3.146 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.427 -11.286 2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.829 -14.727 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.094 -15.054 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.198 -11.719 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.618 -13.367 2.320 1.00 0.00 H new ATOM 617 N VAL B 27 6.629 12.208 0.262 1.00 0.00 N ATOM 618 CA VAL B 27 5.377 11.937 -0.438 1.00 0.00 C ATOM 619 C VAL B 27 5.653 11.318 -1.805 1.00 0.00 C ATOM 620 O VAL B 27 5.017 10.339 -2.193 1.00 0.00 O ATOM 621 CB VAL B 27 4.587 13.236 -0.613 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.338 12.966 -1.452 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.172 13.766 0.761 1.00 0.00 C ATOM 0 HA VAL B 27 4.793 11.234 0.156 1.00 0.00 H new ATOM 0 HB VAL B 27 5.210 13.975 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.776 13.892 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.632 12.586 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL B 27 2.714 12.227 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.609 14.691 0.639 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.549 13.026 1.264 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.062 13.959 1.361 1.00 0.00 H new ATOM 633 N VAL B 28 6.601 11.899 -2.534 1.00 0.00 N ATOM 634 CA VAL B 28 6.947 11.397 -3.858 1.00 0.00 C ATOM 635 C VAL B 28 7.511 9.983 -3.763 1.00 0.00 C ATOM 636 O VAL B 28 7.144 9.104 -4.543 1.00 0.00 O ATOM 637 CB VAL B 28 7.979 12.316 -4.511 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.411 11.728 -5.857 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.360 13.698 -4.736 1.00 0.00 C ATOM 0 H VAL B 28 7.139 12.711 -2.233 1.00 0.00 H new ATOM 0 HA VAL B 28 6.043 11.376 -4.466 1.00 0.00 H new ATOM 0 HB VAL B 28 8.848 12.406 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.147 12.384 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.851 10.743 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.543 11.637 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.095 14.354 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.491 13.606 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.052 14.119 -3.779 1.00 0.00 H new ATOM 649 N ALA B 29 8.407 9.771 -2.805 1.00 0.00 N ATOM 650 CA ALA B 29 9.018 8.459 -2.622 1.00 0.00 C ATOM 651 C ALA B 29 7.961 7.419 -2.267 1.00 0.00 C ATOM 652 O ALA B 29 8.005 6.290 -2.745 1.00 0.00 O ATOM 653 CB ALA B 29 10.065 8.522 -1.505 1.00 0.00 C ATOM 0 H ALA B 29 8.724 10.484 -2.148 1.00 0.00 H new ATOM 0 HA ALA B 29 9.497 8.170 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.517 7.539 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.837 9.244 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.587 8.828 -0.575 1.00 0.00 H new ATOM 659 N ALA B 30 7.011 7.812 -1.426 1.00 0.00 N ATOM 660 CA ALA B 30 5.949 6.900 -1.013 1.00 0.00 C ATOM 661 C ALA B 30 5.111 6.470 -2.211 1.00 0.00 C ATOM 662 O ALA B 30 4.750 5.300 -2.340 1.00 0.00 O ATOM 663 CB ALA B 30 5.050 7.583 0.019 1.00 0.00 C ATOM 0 H ALA B 30 6.953 8.746 -1.020 1.00 0.00 H new ATOM 0 HA ALA B 30 6.408 6.016 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.259 6.897 0.323 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.643 7.863 0.890 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.606 8.477 -0.420 1.00 0.00 H new ATOM 669 N ASN B 31 4.806 7.422 -3.087 1.00 0.00 N ATOM 670 CA ASN B 31 4.012 7.127 -4.272 1.00 0.00 C ATOM 671 C ASN B 31 4.774 6.204 -5.218 1.00 0.00 C ATOM 672 O ASN B 31 4.208 5.264 -5.775 1.00 0.00 O ATOM 673 CB ASN B 31 3.657 8.426 -4.999 1.00 0.00 C ATOM 674 CG ASN B 31 2.879 8.116 -6.275 1.00 0.00 C ATOM 675 OD1 ASN B 31 3.398 8.288 -7.376 1.00 0.00 O ATOM 676 ND2 ASN B 31 1.658 7.663 -6.188 1.00 0.00 N ATOM 0 H ASN B 31 5.094 8.396 -2.999 1.00 0.00 H new ATOM 0 HA ASN B 31 3.098 6.625 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.062 9.066 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN B 31 4.566 8.976 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.131 7.450 -7.035 1.00 0.00 H new ATOM 0 HD22 ASN B 31 1.231 7.521 -5.273 1.00 0.00 H new ATOM 683 N ILE B 32 6.060 6.484 -5.400 1.00 0.00 N ATOM 684 CA ILE B 32 6.886 5.675 -6.289 1.00 0.00 C ATOM 685 C ILE B 32 7.019 4.253 -5.754 1.00 0.00 C ATOM 686 O ILE B 32 6.905 3.284 -6.506 1.00 0.00 O ATOM 687 CB ILE B 32 8.276 6.306 -6.421 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.159 7.645 -7.154 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.188 5.369 -7.219 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.475 8.415 -7.020 1.00 0.00 C ATOM 0 H ILE B 32 6.549 7.257 -4.949 1.00 0.00 H new ATOM 0 HA ILE B 32 6.407 5.637 -7.267 1.00 0.00 H new ATOM 0 HB ILE B 32 8.698 6.468 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.929 7.477 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.339 8.230 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.177 5.817 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.271 4.413 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.766 5.209 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.393 9.369 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.686 8.595 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.285 7.831 -7.457 1.00 0.00 H new ATOM 702 N ILE B 33 7.261 4.134 -4.453 1.00 0.00 N ATOM 703 CA ILE B 33 7.409 2.827 -3.830 1.00 0.00 C ATOM 704 C ILE B 33 6.098 2.047 -3.907 1.00 0.00 C ATOM 705 O ILE B 33 6.093 0.856 -4.213 1.00 0.00 O ATOM 706 CB ILE B 33 7.831 2.987 -2.368 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.257 3.547 -2.309 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.788 1.626 -1.666 1.00 0.00 C ATOM 709 CD1 ILE B 33 9.580 3.976 -0.875 1.00 0.00 C ATOM 0 H ILE B 33 7.358 4.923 -3.814 1.00 0.00 H new ATOM 0 HA ILE B 33 8.179 2.273 -4.367 1.00 0.00 H new ATOM 0 HB ILE B 33 7.147 3.672 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.969 2.792 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.353 4.397 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE B 33 8.089 1.744 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.775 1.227 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.470 0.937 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE B 33 10.594 4.374 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE B 33 8.875 4.745 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.501 3.115 -0.211 1.00 0.00 H new ATOM 721 N GLY B 34 4.995 2.728 -3.619 1.00 0.00 N ATOM 722 CA GLY B 34 3.685 2.087 -3.655 1.00 0.00 C ATOM 723 C GLY B 34 3.361 1.594 -5.062 1.00 0.00 C ATOM 724 O GLY B 34 2.943 0.449 -5.250 1.00 0.00 O ATOM 0 H GLY B 34 4.980 3.715 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.666 1.249 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.921 2.792 -3.327 1.00 0.00 H new ATOM 728 N ILE B 35 3.571 2.458 -6.050 1.00 0.00 N ATOM 729 CA ILE B 35 3.307 2.099 -7.440 1.00 0.00 C ATOM 730 C ILE B 35 4.222 0.955 -7.872 1.00 0.00 C ATOM 731 O ILE B 35 3.789 0.012 -8.540 1.00 0.00 O ATOM 732 CB ILE B 35 3.529 3.312 -8.343 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.460 4.368 -8.046 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.424 2.880 -9.809 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.878 5.702 -8.666 1.00 0.00 C ATOM 0 H ILE B 35 3.921 3.407 -5.916 1.00 0.00 H new ATOM 0 HA ILE B 35 2.270 1.774 -7.528 1.00 0.00 H new ATOM 0 HB ILE B 35 4.518 3.731 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.498 4.052 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.332 4.479 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.582 3.744 -10.455 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.181 2.125 -10.021 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.434 2.464 -9.996 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.118 6.455 -8.456 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.830 6.019 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.984 5.585 -9.744 1.00 0.00 H new ATOM 747 N LEU B 36 5.489 1.043 -7.488 1.00 0.00 N ATOM 748 CA LEU B 36 6.450 0.013 -7.840 1.00 0.00 C ATOM 749 C LEU B 36 6.004 -1.340 -7.291 1.00 0.00 C ATOM 750 O LEU B 36 6.144 -2.367 -7.954 1.00 0.00 O ATOM 751 CB LEU B 36 7.832 0.368 -7.273 1.00 0.00 C ATOM 752 CG LEU B 36 8.815 -0.782 -7.540 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.867 -1.077 -9.043 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.205 -0.386 -7.046 1.00 0.00 C ATOM 0 H LEU B 36 5.870 1.812 -6.937 1.00 0.00 H new ATOM 0 HA LEU B 36 6.510 -0.048 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.199 1.286 -7.732 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.759 0.555 -6.202 1.00 0.00 H new ATOM 0 HG LEU B 36 8.482 -1.675 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.565 -1.893 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.874 -1.361 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.199 -0.187 -9.577 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.904 -1.201 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.538 0.507 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.166 -0.182 -5.976 1.00 0.00 H new ATOM 766 N HIS B 37 5.478 -1.333 -6.074 1.00 0.00 N ATOM 767 CA HIS B 37 5.023 -2.566 -5.440 1.00 0.00 C ATOM 768 C HIS B 37 3.959 -3.238 -6.296 1.00 0.00 C ATOM 769 O HIS B 37 3.946 -4.462 -6.442 1.00 0.00 O ATOM 770 CB HIS B 37 4.447 -2.261 -4.058 1.00 0.00 C ATOM 771 CG HIS B 37 3.987 -3.538 -3.413 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.534 -4.015 -2.233 1.00 0.00 N ATOM 773 CD2 HIS B 37 3.029 -4.454 -3.772 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.908 -5.165 -1.930 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.982 -5.480 -2.836 1.00 0.00 N ATOM 0 H HIS B 37 5.356 -0.494 -5.508 1.00 0.00 H new ATOM 0 HA HIS B 37 5.875 -3.238 -5.337 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.201 -1.779 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.613 -1.565 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.405 -4.387 -4.651 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.129 -5.762 -1.058 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.371 -6.297 -2.841 1.00 0.00 H new ATOM 783 N LEU B 38 3.065 -2.438 -6.860 1.00 0.00 N ATOM 784 CA LEU B 38 2.004 -2.978 -7.697 1.00 0.00 C ATOM 785 C LEU B 38 2.578 -3.720 -8.892 1.00 0.00 C ATOM 786 O LEU B 38 2.060 -4.751 -9.290 1.00 0.00 O ATOM 787 CB LEU B 38 1.091 -1.835 -8.184 1.00 0.00 C ATOM 788 CG LEU B 38 -0.093 -1.658 -7.217 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.665 -0.248 -7.351 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.183 -2.688 -7.562 1.00 0.00 C ATOM 0 H LEU B 38 3.053 -1.424 -6.755 1.00 0.00 H new ATOM 0 HA LEU B 38 1.423 -3.682 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.659 -0.907 -8.249 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.723 -2.055 -9.186 1.00 0.00 H new ATOM 0 HG LEU B 38 0.248 -1.809 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.503 -0.128 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.108 0.482 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.009 -0.090 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.025 -2.568 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.520 -2.532 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.777 -3.695 -7.463 1.00 0.00 H new ATOM 802 N ILE B 39 3.634 -3.179 -9.467 1.00 0.00 N ATOM 803 CA ILE B 39 4.244 -3.797 -10.637 1.00 0.00 C ATOM 804 C ILE B 39 4.716 -5.206 -10.292 1.00 0.00 C ATOM 805 O ILE B 39 4.517 -6.142 -11.063 1.00 0.00 O ATOM 806 CB ILE B 39 5.436 -2.956 -11.098 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.936 -1.588 -11.575 1.00 0.00 C ATOM 808 CG2 ILE B 39 6.143 -3.664 -12.260 1.00 0.00 C ATOM 809 CD1 ILE B 39 6.129 -0.681 -11.881 1.00 0.00 C ATOM 0 H ILE B 39 4.087 -2.322 -9.150 1.00 0.00 H new ATOM 0 HA ILE B 39 3.507 -3.852 -11.438 1.00 0.00 H new ATOM 0 HB ILE B 39 6.132 -2.828 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.319 -1.706 -12.466 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.308 -1.133 -10.810 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.992 -3.065 -12.588 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.495 -4.642 -11.931 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.445 -3.789 -13.088 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.770 0.291 -12.220 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.729 -0.552 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.740 -1.134 -12.662 1.00 0.00 H new ATOM 821 N LEU B 40 5.348 -5.351 -9.136 1.00 0.00 N ATOM 822 CA LEU B 40 5.831 -6.657 -8.705 1.00 0.00 C ATOM 823 C LEU B 40 4.679 -7.547 -8.264 1.00 0.00 C ATOM 824 O LEU B 40 4.626 -8.728 -8.613 1.00 0.00 O ATOM 825 CB LEU B 40 6.827 -6.482 -7.545 1.00 0.00 C ATOM 826 CG LEU B 40 8.208 -6.115 -8.100 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.811 -7.328 -8.841 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.071 -4.935 -9.072 1.00 0.00 C ATOM 0 H LEU B 40 5.537 -4.589 -8.485 1.00 0.00 H new ATOM 0 HA LEU B 40 6.329 -7.136 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.478 -5.703 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.890 -7.403 -6.965 1.00 0.00 H new ATOM 0 HG LEU B 40 8.865 -5.834 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.793 -7.063 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.911 -8.164 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.156 -7.614 -9.664 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.053 -4.673 -9.467 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.412 -5.215 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.651 -4.077 -8.546 1.00 0.00 H new ATOM 840 N TRP B 41 3.774 -6.978 -7.477 1.00 0.00 N ATOM 841 CA TRP B 41 2.636 -7.732 -6.972 1.00 0.00 C ATOM 842 C TRP B 41 1.733 -8.172 -8.115 1.00 0.00 C ATOM 843 O TRP B 41 1.207 -9.286 -8.112 1.00 0.00 O ATOM 844 CB TRP B 41 1.849 -6.892 -5.971 1.00 0.00 C ATOM 845 CG TRP B 41 0.639 -7.658 -5.534 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.629 -8.612 -4.573 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.742 -7.512 -5.977 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.663 -9.089 -4.434 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.540 -8.435 -5.271 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.368 -6.684 -6.922 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.912 -8.527 -5.492 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.750 -6.771 -7.144 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.517 -7.696 -6.433 1.00 0.00 C ATOM 0 H TRP B 41 3.806 -6.004 -7.177 1.00 0.00 H new ATOM 0 HA TRP B 41 3.010 -8.623 -6.467 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.473 -6.651 -5.110 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.552 -5.946 -6.425 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.487 -8.946 -4.008 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.933 -9.833 -3.791 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.780 -5.973 -7.483 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.504 -9.239 -4.937 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.222 -6.121 -7.866 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.580 -7.768 -6.612 1.00 0.00 H new ATOM 864 N ILE B 42 1.553 -7.291 -9.088 1.00 0.00 N ATOM 865 CA ILE B 42 0.715 -7.604 -10.236 1.00 0.00 C ATOM 866 C ILE B 42 1.317 -8.750 -11.044 1.00 0.00 C ATOM 867 O ILE B 42 0.619 -9.679 -11.423 1.00 0.00 O ATOM 868 CB ILE B 42 0.573 -6.362 -11.130 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.393 -5.367 -10.480 1.00 0.00 C ATOM 870 CG2 ILE B 42 0.031 -6.773 -12.505 1.00 0.00 C ATOM 871 CD1 ILE B 42 -0.321 -4.030 -11.212 1.00 0.00 C ATOM 0 H ILE B 42 1.972 -6.361 -9.106 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.267 -7.909 -9.875 1.00 0.00 H new ATOM 0 HB ILE B 42 1.550 -5.895 -11.250 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.410 -5.757 -10.514 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -0.139 -5.232 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -0.068 -5.890 -13.136 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.720 -7.477 -12.972 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -0.944 -7.245 -12.385 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.009 -3.324 -10.748 1.00 0.00 H new ATOM 0 HD12 ILE B 42 0.695 -3.638 -11.155 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.597 -4.172 -12.257 1.00 0.00 H new ATOM 883 N LEU B 43 2.611 -8.666 -11.307 1.00 0.00 N ATOM 884 CA LEU B 43 3.290 -9.697 -12.079 1.00 0.00 C ATOM 885 C LEU B 43 3.289 -11.018 -11.328 1.00 0.00 C ATOM 886 O LEU B 43 3.167 -12.084 -11.925 1.00 0.00 O ATOM 887 CB LEU B 43 4.731 -9.267 -12.369 1.00 0.00 C ATOM 888 CG LEU B 43 4.727 -8.075 -13.335 1.00 0.00 C ATOM 889 CD1 LEU B 43 6.119 -7.439 -13.363 1.00 0.00 C ATOM 890 CD2 LEU B 43 4.349 -8.545 -14.750 1.00 0.00 C ATOM 0 H LEU B 43 3.210 -7.900 -11.000 1.00 0.00 H new ATOM 0 HA LEU B 43 2.756 -9.832 -13.020 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.234 -8.995 -11.441 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.289 -10.097 -12.802 1.00 0.00 H new ATOM 0 HG LEU B 43 3.995 -7.342 -12.996 1.00 0.00 H new ATOM 0 HD11 LEU B 43 6.118 -6.592 -14.049 1.00 0.00 H new ATOM 0 HD12 LEU B 43 6.382 -7.096 -12.363 1.00 0.00 H new ATOM 0 HD13 LEU B 43 6.849 -8.176 -13.698 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.349 -7.692 -15.429 1.00 0.00 H new ATOM 0 HD22 LEU B 43 5.074 -9.282 -15.094 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.356 -8.994 -14.731 1.00 0.00 H new ATOM 902 N ASP B 44 3.448 -10.941 -10.013 1.00 0.00 N ATOM 903 CA ASP B 44 3.487 -12.142 -9.191 1.00 0.00 C ATOM 904 C ASP B 44 2.198 -12.941 -9.349 1.00 0.00 C ATOM 905 O ASP B 44 2.230 -14.165 -9.462 1.00 0.00 O ATOM 906 CB ASP B 44 3.669 -11.757 -7.721 1.00 0.00 C ATOM 907 CG ASP B 44 5.080 -11.219 -7.494 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.943 -11.516 -8.302 1.00 0.00 O ATOM 909 OD2 ASP B 44 5.275 -10.521 -6.512 1.00 0.00 O ATOM 0 H ASP B 44 3.551 -10.067 -9.497 1.00 0.00 H new ATOM 0 HA ASP B 44 4.326 -12.757 -9.516 1.00 0.00 H new ATOM 0 HB2 ASP B 44 2.934 -11.003 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.495 -12.625 -7.085 1.00 0.00 H new ATOM 914 N ARG B 45 1.069 -12.243 -9.348 1.00 0.00 N ATOM 915 CA ARG B 45 -0.222 -12.907 -9.489 1.00 0.00 C ATOM 916 C ARG B 45 -0.349 -13.568 -10.857 1.00 0.00 C ATOM 917 O ARG B 45 -0.663 -14.754 -10.956 1.00 0.00 O ATOM 918 CB ARG B 45 -1.349 -11.891 -9.304 1.00 0.00 C ATOM 919 CG ARG B 45 -2.701 -12.602 -9.403 1.00 0.00 C ATOM 920 CD ARG B 45 -3.816 -11.646 -8.971 1.00 0.00 C ATOM 921 NE ARG B 45 -3.685 -11.335 -7.550 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.921 -12.257 -6.622 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.272 -13.463 -6.972 1.00 0.00 N ATOM 924 NH2 ARG B 45 -3.798 -11.955 -5.358 1.00 0.00 N ATOM 0 H ARG B 45 1.020 -11.229 -9.252 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.295 -13.680 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.255 -11.400 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -1.279 -11.113 -10.064 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -2.872 -12.939 -10.425 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.704 -13.490 -8.771 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.768 -10.729 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -4.789 -12.098 -9.165 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.408 -10.396 -7.265 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.366 -13.700 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.453 -14.169 -6.258 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -3.521 -11.012 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.979 -12.662 -4.645 1.00 0.00 H new ATOM 1127 N VAL C 27 1.426 11.540 7.771 1.00 0.00 N ATOM 1128 CA VAL C 27 2.083 11.287 6.495 1.00 0.00 C ATOM 1129 C VAL C 27 3.355 10.470 6.702 1.00 0.00 C ATOM 1130 O VAL C 27 3.607 9.502 5.982 1.00 0.00 O ATOM 1131 CB VAL C 27 2.433 12.614 5.817 1.00 0.00 C ATOM 1132 CG1 VAL C 27 3.225 12.343 4.536 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.146 13.362 5.469 1.00 0.00 C ATOM 0 HA VAL C 27 1.400 10.723 5.860 1.00 0.00 H new ATOM 0 HB VAL C 27 3.036 13.219 6.495 1.00 0.00 H new ATOM 0 HG11 VAL C 27 3.473 13.289 4.055 1.00 0.00 H new ATOM 0 HG12 VAL C 27 4.143 11.809 4.782 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.624 11.738 3.858 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.394 14.307 4.986 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.544 12.755 4.792 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.581 13.557 6.380 1.00 0.00 H new ATOM 1143 N VAL C 28 4.156 10.865 7.686 1.00 0.00 N ATOM 1144 CA VAL C 28 5.399 10.161 7.975 1.00 0.00 C ATOM 1145 C VAL C 28 5.115 8.730 8.417 1.00 0.00 C ATOM 1146 O VAL C 28 5.771 7.789 7.970 1.00 0.00 O ATOM 1147 CB VAL C 28 6.171 10.893 9.075 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.426 10.097 9.437 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.575 12.281 8.575 1.00 0.00 C ATOM 0 H VAL C 28 3.968 11.663 8.293 1.00 0.00 H new ATOM 0 HA VAL C 28 5.999 10.136 7.065 1.00 0.00 H new ATOM 0 HB VAL C 28 5.538 10.993 9.957 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.975 10.619 10.220 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.139 9.107 9.793 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.060 9.996 8.556 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.125 12.804 9.357 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.207 12.180 7.693 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.681 12.850 8.318 1.00 0.00 H new ATOM 1159 N ALA C 29 4.135 8.571 9.301 1.00 0.00 N ATOM 1160 CA ALA C 29 3.774 7.250 9.798 1.00 0.00 C ATOM 1161 C ALA C 29 3.288 6.361 8.657 1.00 0.00 C ATOM 1162 O ALA C 29 3.613 5.178 8.598 1.00 0.00 O ATOM 1163 CB ALA C 29 2.675 7.369 10.855 1.00 0.00 C ATOM 0 H ALA C 29 3.580 9.336 9.685 1.00 0.00 H new ATOM 0 HA ALA C 29 4.660 6.799 10.245 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.412 6.376 11.220 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.033 7.978 11.685 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.795 7.838 10.414 1.00 0.00 H new ATOM 1169 N ALA C 30 2.504 6.940 7.755 1.00 0.00 N ATOM 1170 CA ALA C 30 1.975 6.187 6.624 1.00 0.00 C ATOM 1171 C ALA C 30 3.107 5.676 5.741 1.00 0.00 C ATOM 1172 O ALA C 30 3.085 4.531 5.288 1.00 0.00 O ATOM 1173 CB ALA C 30 1.045 7.078 5.796 1.00 0.00 C ATOM 0 H ALA C 30 2.222 7.920 7.784 1.00 0.00 H new ATOM 0 HA ALA C 30 1.418 5.333 7.009 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.653 6.510 4.952 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.218 7.420 6.419 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.601 7.940 5.426 1.00 0.00 H new ATOM 1179 N ASN C 31 4.097 6.529 5.500 1.00 0.00 N ATOM 1180 CA ASN C 31 5.232 6.148 4.670 1.00 0.00 C ATOM 1181 C ASN C 31 6.045 5.045 5.338 1.00 0.00 C ATOM 1182 O ASN C 31 6.470 4.093 4.686 1.00 0.00 O ATOM 1183 CB ASN C 31 6.129 7.364 4.423 1.00 0.00 C ATOM 1184 CG ASN C 31 7.356 6.954 3.615 1.00 0.00 C ATOM 1185 OD1 ASN C 31 8.470 6.939 4.139 1.00 0.00 O ATOM 1186 ND2 ASN C 31 7.217 6.621 2.361 1.00 0.00 N ATOM 0 H ASN C 31 4.136 7.481 5.865 1.00 0.00 H new ATOM 0 HA ASN C 31 4.850 5.775 3.720 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.572 8.134 3.888 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.438 7.797 5.374 1.00 0.00 H new ATOM 0 HD21 ASN C 31 8.032 6.347 1.813 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.293 6.634 1.929 1.00 0.00 H new ATOM 1193 N ILE C 32 6.261 5.183 6.642 1.00 0.00 N ATOM 1194 CA ILE C 32 7.032 4.193 7.386 1.00 0.00 C ATOM 1195 C ILE C 32 6.308 2.848 7.398 1.00 0.00 C ATOM 1196 O ILE C 32 6.923 1.801 7.187 1.00 0.00 O ATOM 1197 CB ILE C 32 7.247 4.675 8.823 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.157 5.905 8.816 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.907 3.561 9.642 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.136 6.563 10.196 1.00 0.00 C ATOM 0 H ILE C 32 5.917 5.963 7.202 1.00 0.00 H new ATOM 0 HA ILE C 32 7.998 4.066 6.897 1.00 0.00 H new ATOM 0 HB ILE C 32 6.286 4.934 9.267 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.175 5.616 8.555 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.823 6.614 8.058 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.060 3.904 10.665 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.262 2.682 9.646 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.868 3.304 9.198 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.784 7.439 10.191 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.118 6.866 10.439 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.491 5.853 10.943 1.00 0.00 H new ATOM 1212 N ILE C 33 5.005 2.886 7.652 1.00 0.00 N ATOM 1213 CA ILE C 33 4.212 1.664 7.689 1.00 0.00 C ATOM 1214 C ILE C 33 4.187 1.001 6.316 1.00 0.00 C ATOM 1215 O ILE C 33 4.337 -0.216 6.202 1.00 0.00 O ATOM 1216 CB ILE C 33 2.784 1.984 8.136 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.794 2.419 9.604 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.905 0.739 7.981 1.00 0.00 C ATOM 1219 CD1 ILE C 33 1.433 3.017 9.970 1.00 0.00 C ATOM 0 H ILE C 33 4.480 3.741 7.834 1.00 0.00 H new ATOM 0 HA ILE C 33 4.667 0.975 8.401 1.00 0.00 H new ATOM 0 HB ILE C 33 2.385 2.789 7.519 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.012 1.565 10.246 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.582 3.153 9.771 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.888 0.969 8.300 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.896 0.428 6.936 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.304 -0.067 8.596 1.00 0.00 H new ATOM 0 HD11 ILE C 33 1.441 3.326 11.015 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.233 3.882 9.337 1.00 0.00 H new ATOM 0 HD13 ILE C 33 0.654 2.269 9.819 1.00 0.00 H new ATOM 1231 N GLY C 34 3.992 1.808 5.277 1.00 0.00 N ATOM 1232 CA GLY C 34 3.944 1.285 3.917 1.00 0.00 C ATOM 1233 C GLY C 34 5.273 0.637 3.539 1.00 0.00 C ATOM 1234 O GLY C 34 5.307 -0.482 3.019 1.00 0.00 O ATOM 0 H GLY C 34 3.866 2.818 5.350 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.140 0.554 3.832 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.716 2.092 3.220 1.00 0.00 H new ATOM 1238 N ILE C 35 6.367 1.340 3.813 1.00 0.00 N ATOM 1239 CA ILE C 35 7.697 0.823 3.504 1.00 0.00 C ATOM 1240 C ILE C 35 7.970 -0.445 4.311 1.00 0.00 C ATOM 1241 O ILE C 35 8.509 -1.427 3.790 1.00 0.00 O ATOM 1242 CB ILE C 35 8.754 1.879 3.825 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.608 3.053 2.854 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.150 1.266 3.672 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.402 4.250 3.376 1.00 0.00 C ATOM 0 H ILE C 35 6.361 2.264 4.246 1.00 0.00 H new ATOM 0 HA ILE C 35 7.742 0.583 2.442 1.00 0.00 H new ATOM 0 HB ILE C 35 8.620 2.230 4.848 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.968 2.768 1.866 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.557 3.320 2.746 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.905 2.018 3.901 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.256 0.426 4.358 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.284 0.917 2.648 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.298 5.086 2.684 1.00 0.00 H new ATOM 0 HD12 ILE C 35 9.021 4.540 4.355 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.454 3.979 3.462 1.00 0.00 H new ATOM 1257 N LEU C 36 7.596 -0.419 5.584 1.00 0.00 N ATOM 1258 CA LEU C 36 7.805 -1.569 6.449 1.00 0.00 C ATOM 1259 C LEU C 36 7.081 -2.790 5.892 1.00 0.00 C ATOM 1260 O LEU C 36 7.595 -3.907 5.945 1.00 0.00 O ATOM 1261 CB LEU C 36 7.290 -1.264 7.862 1.00 0.00 C ATOM 1262 CG LEU C 36 7.400 -2.519 8.739 1.00 0.00 C ATOM 1263 CD1 LEU C 36 8.852 -3.016 8.750 1.00 0.00 C ATOM 1264 CD2 LEU C 36 6.962 -2.184 10.163 1.00 0.00 C ATOM 0 H LEU C 36 7.150 0.379 6.036 1.00 0.00 H new ATOM 0 HA LEU C 36 8.873 -1.781 6.493 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.867 -0.451 8.301 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.253 -0.931 7.817 1.00 0.00 H new ATOM 0 HG LEU C 36 6.756 -3.300 8.335 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.927 -3.907 9.373 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.162 -3.258 7.733 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.500 -2.237 9.151 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.040 -3.075 10.787 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.604 -1.401 10.567 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.929 -1.837 10.154 1.00 0.00 H new ATOM 1276 N HIS C 37 5.881 -2.574 5.371 1.00 0.00 N ATOM 1277 CA HIS C 37 5.088 -3.665 4.816 1.00 0.00 C ATOM 1278 C HIS C 37 5.849 -4.352 3.690 1.00 0.00 C ATOM 1279 O HIS C 37 5.832 -5.578 3.571 1.00 0.00 O ATOM 1280 CB HIS C 37 3.762 -3.127 4.282 1.00 0.00 C ATOM 1281 CG HIS C 37 2.952 -4.265 3.719 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.718 -4.623 4.233 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.187 -5.132 2.682 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.266 -5.664 3.512 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.121 -6.014 2.554 1.00 0.00 N ATOM 0 H HIS C 37 5.436 -1.658 5.320 1.00 0.00 H new ATOM 0 HA HIS C 37 4.892 -4.389 5.607 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.209 -2.633 5.081 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.944 -2.379 3.510 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.069 -5.129 2.058 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.322 -6.157 3.689 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.016 -6.767 1.873 1.00 0.00 H new ATOM 1293 N LEU C 38 6.516 -3.558 2.862 1.00 0.00 N ATOM 1294 CA LEU C 38 7.275 -4.112 1.750 1.00 0.00 C ATOM 1295 C LEU C 38 8.360 -5.053 2.245 1.00 0.00 C ATOM 1296 O LEU C 38 8.615 -6.081 1.639 1.00 0.00 O ATOM 1297 CB LEU C 38 7.913 -2.969 0.935 1.00 0.00 C ATOM 1298 CG LEU C 38 6.975 -2.554 -0.213 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.304 -1.132 -0.661 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.163 -3.519 -1.395 1.00 0.00 C ATOM 0 H LEU C 38 6.547 -2.541 2.938 1.00 0.00 H new ATOM 0 HA LEU C 38 6.591 -4.678 1.118 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.109 -2.115 1.583 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.874 -3.290 0.533 1.00 0.00 H new ATOM 0 HG LEU C 38 5.942 -2.591 0.132 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.637 -0.843 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.173 -0.447 0.177 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.337 -1.089 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.501 -3.229 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.197 -3.479 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.924 -4.534 -1.077 1.00 0.00 H new ATOM 1312 N ILE C 39 8.999 -4.687 3.338 1.00 0.00 N ATOM 1313 CA ILE C 39 10.075 -5.507 3.882 1.00 0.00 C ATOM 1314 C ILE C 39 9.543 -6.892 4.236 1.00 0.00 C ATOM 1315 O ILE C 39 10.182 -7.902 3.947 1.00 0.00 O ATOM 1316 CB ILE C 39 10.642 -4.842 5.139 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.302 -3.512 4.752 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.696 -5.756 5.772 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.724 -2.761 6.017 1.00 0.00 C ATOM 0 H ILE C 39 8.799 -3.837 3.866 1.00 0.00 H new ATOM 0 HA ILE C 39 10.862 -5.605 3.135 1.00 0.00 H new ATOM 0 HB ILE C 39 9.836 -4.665 5.851 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.170 -3.696 4.119 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.607 -2.905 4.171 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.099 -5.282 6.667 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.238 -6.708 6.041 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.502 -5.930 5.059 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.193 -1.817 5.740 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.847 -2.564 6.633 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.434 -3.367 6.580 1.00 0.00 H new ATOM 1331 N LEU C 40 8.377 -6.933 4.865 1.00 0.00 N ATOM 1332 CA LEU C 40 7.773 -8.207 5.239 1.00 0.00 C ATOM 1333 C LEU C 40 7.216 -8.929 4.019 1.00 0.00 C ATOM 1334 O LEU C 40 7.395 -10.138 3.868 1.00 0.00 O ATOM 1335 CB LEU C 40 6.648 -7.964 6.259 1.00 0.00 C ATOM 1336 CG LEU C 40 7.247 -7.801 7.661 1.00 0.00 C ATOM 1337 CD1 LEU C 40 7.810 -9.153 8.148 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.372 -6.760 7.619 1.00 0.00 C ATOM 0 H LEU C 40 7.834 -6.110 5.125 1.00 0.00 H new ATOM 0 HA LEU C 40 8.544 -8.836 5.684 1.00 0.00 H new ATOM 0 HB2 LEU C 40 6.085 -7.071 5.988 1.00 0.00 H new ATOM 0 HB3 LEU C 40 5.947 -8.799 6.247 1.00 0.00 H new ATOM 0 HG LEU C 40 6.470 -7.468 8.349 1.00 0.00 H new ATOM 0 HD11 LEU C 40 8.235 -9.033 9.145 1.00 0.00 H new ATOM 0 HD12 LEU C 40 7.008 -9.890 8.182 1.00 0.00 H new ATOM 0 HD13 LEU C 40 8.586 -9.493 7.462 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.798 -6.644 8.616 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.148 -7.091 6.929 1.00 0.00 H new ATOM 0 HD23 LEU C 40 7.971 -5.804 7.282 1.00 0.00 H new ATOM 1350 N TRP C 41 6.521 -8.182 3.171 1.00 0.00 N ATOM 1351 CA TRP C 41 5.921 -8.759 1.979 1.00 0.00 C ATOM 1352 C TRP C 41 6.993 -9.268 1.027 1.00 0.00 C ATOM 1353 O TRP C 41 6.837 -10.318 0.403 1.00 0.00 O ATOM 1354 CB TRP C 41 5.038 -7.731 1.280 1.00 0.00 C ATOM 1355 CG TRP C 41 4.506 -8.322 0.012 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.425 -9.136 -0.073 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.966 -8.115 -1.353 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.228 -9.475 -1.399 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.145 -8.862 -2.224 1.00 0.00 C ATOM 1360 CE3 TRP C 41 6.015 -7.366 -1.913 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.357 -8.863 -3.599 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.226 -7.361 -3.299 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.400 -8.113 -4.137 1.00 0.00 C ATOM 0 H TRP C 41 6.360 -7.181 3.287 1.00 0.00 H new ATOM 0 HA TRP C 41 5.303 -9.604 2.282 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.215 -7.437 1.932 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.611 -6.829 1.063 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.818 -9.465 0.758 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.493 -10.102 -1.726 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.664 -6.790 -1.270 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.716 -9.443 -4.246 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.029 -6.774 -3.720 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.570 -8.113 -5.204 1.00 0.00 H new ATOM 1374 N ILE C 42 8.077 -8.516 0.918 1.00 0.00 N ATOM 1375 CA ILE C 42 9.173 -8.903 0.044 1.00 0.00 C ATOM 1376 C ILE C 42 9.819 -10.196 0.534 1.00 0.00 C ATOM 1377 O ILE C 42 10.070 -11.103 -0.247 1.00 0.00 O ATOM 1378 CB ILE C 42 10.226 -7.786 -0.002 1.00 0.00 C ATOM 1379 CG1 ILE C 42 9.716 -6.633 -0.871 1.00 0.00 C ATOM 1380 CG2 ILE C 42 11.534 -8.327 -0.591 1.00 0.00 C ATOM 1381 CD1 ILE C 42 10.623 -5.416 -0.693 1.00 0.00 C ATOM 0 H ILE C 42 8.221 -7.640 1.420 1.00 0.00 H new ATOM 0 HA ILE C 42 8.774 -9.067 -0.957 1.00 0.00 H new ATOM 0 HB ILE C 42 10.408 -7.426 1.011 1.00 0.00 H new ATOM 0 HG12 ILE C 42 9.697 -6.935 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE C 42 8.693 -6.380 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE C 42 12.277 -7.530 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE C 42 11.903 -9.143 0.030 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.354 -8.693 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE C 42 10.258 -4.597 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.620 -5.110 0.353 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.639 -5.673 -0.993 1.00 0.00 H new ATOM 1393 N LEU C 43 10.091 -10.261 1.827 1.00 0.00 N ATOM 1394 CA LEU C 43 10.719 -11.440 2.407 1.00 0.00 C ATOM 1395 C LEU C 43 9.795 -12.644 2.298 1.00 0.00 C ATOM 1396 O LEU C 43 10.243 -13.764 2.064 1.00 0.00 O ATOM 1397 CB LEU C 43 11.060 -11.183 3.876 1.00 0.00 C ATOM 1398 CG LEU C 43 12.177 -10.137 3.966 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.290 -9.632 5.407 1.00 0.00 C ATOM 1400 CD2 LEU C 43 13.518 -10.759 3.535 1.00 0.00 C ATOM 0 H LEU C 43 9.889 -9.516 2.493 1.00 0.00 H new ATOM 0 HA LEU C 43 11.636 -11.649 1.856 1.00 0.00 H new ATOM 0 HB2 LEU C 43 10.176 -10.834 4.410 1.00 0.00 H new ATOM 0 HB3 LEU C 43 11.376 -12.110 4.355 1.00 0.00 H new ATOM 0 HG LEU C 43 11.939 -9.305 3.303 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.084 -8.888 5.471 1.00 0.00 H new ATOM 0 HD12 LEU C 43 11.345 -9.181 5.709 1.00 0.00 H new ATOM 0 HD13 LEU C 43 12.521 -10.467 6.068 1.00 0.00 H new ATOM 0 HD21 LEU C 43 14.306 -10.008 3.602 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.758 -11.596 4.190 1.00 0.00 H new ATOM 0 HD23 LEU C 43 13.441 -11.113 2.507 1.00 0.00 H new ATOM 1412 N ASP C 44 8.506 -12.410 2.484 1.00 0.00 N ATOM 1413 CA ASP C 44 7.529 -13.489 2.427 1.00 0.00 C ATOM 1414 C ASP C 44 7.581 -14.183 1.072 1.00 0.00 C ATOM 1415 O ASP C 44 7.540 -15.411 0.994 1.00 0.00 O ATOM 1416 CB ASP C 44 6.124 -12.928 2.654 1.00 0.00 C ATOM 1417 CG ASP C 44 5.967 -12.490 4.107 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.700 -12.993 4.940 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.108 -11.660 4.365 1.00 0.00 O ATOM 0 H ASP C 44 8.112 -11.489 2.675 1.00 0.00 H new ATOM 0 HA ASP C 44 7.766 -14.213 3.207 1.00 0.00 H new ATOM 0 HB2 ASP C 44 5.949 -12.082 1.989 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.378 -13.684 2.411 1.00 0.00 H new ATOM 1424 N ARG C 45 7.667 -13.396 0.006 1.00 0.00 N ATOM 1425 CA ARG C 45 7.721 -13.955 -1.339 1.00 0.00 C ATOM 1426 C ARG C 45 8.988 -14.779 -1.539 1.00 0.00 C ATOM 1427 O ARG C 45 8.928 -15.933 -1.961 1.00 0.00 O ATOM 1428 CB ARG C 45 7.672 -12.828 -2.372 1.00 0.00 C ATOM 1429 CG ARG C 45 7.676 -13.423 -3.781 1.00 0.00 C ATOM 1430 CD ARG C 45 7.379 -12.324 -4.802 1.00 0.00 C ATOM 1431 NE ARG C 45 6.015 -11.837 -4.628 1.00 0.00 N ATOM 1432 CZ ARG C 45 4.968 -12.599 -4.934 1.00 0.00 C ATOM 1433 NH1 ARG C 45 5.152 -13.804 -5.397 1.00 0.00 N ATOM 1434 NH2 ARG C 45 3.758 -12.139 -4.773 1.00 0.00 N ATOM 0 H ARG C 45 7.701 -12.377 0.046 1.00 0.00 H new ATOM 0 HA ARG C 45 6.860 -14.610 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG C 45 6.777 -12.224 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.528 -12.166 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG C 45 8.644 -13.878 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.929 -14.214 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG C 45 8.085 -11.503 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG C 45 7.510 -12.710 -5.813 1.00 0.00 H new ATOM 0 HE ARG C 45 5.861 -10.896 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG C 45 6.098 -14.162 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG C 45 4.350 -14.388 -5.632 1.00 0.00 H new ATOM 0 HH21 ARG C 45 3.615 -11.196 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG C 45 2.955 -12.723 -5.007 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.253 12.264 2.385 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.016 11.802 3.003 1.00 0.00 C ATOM 1639 C VAL D 27 -5.321 10.925 4.214 1.00 0.00 C ATOM 1640 O VAL D 27 -4.733 9.856 4.381 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.175 13.003 3.443 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -2.933 12.511 4.191 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -3.743 13.799 2.210 1.00 0.00 C ATOM 0 HA VAL D 27 -4.460 11.215 2.271 1.00 0.00 H new ATOM 0 HB VAL D 27 -4.767 13.640 4.101 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.334 13.366 4.504 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.239 11.941 5.068 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.341 11.875 3.534 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.144 14.655 2.521 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.151 13.161 1.554 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.626 14.149 1.675 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.243 11.382 5.055 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.615 10.631 6.248 1.00 0.00 C ATOM 1655 C VAL D 28 -7.237 9.292 5.862 1.00 0.00 C ATOM 1656 O VAL D 28 -6.911 8.255 6.441 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.611 11.436 7.085 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.067 10.600 8.282 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -6.934 12.714 7.586 1.00 0.00 C ATOM 0 H VAL D 28 -6.743 12.263 4.934 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.715 10.447 6.835 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.475 11.694 6.473 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.777 11.174 8.878 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.546 9.687 7.927 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.204 10.342 8.895 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.641 13.290 8.183 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.071 12.453 8.198 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.607 13.311 6.734 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.139 9.321 4.887 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.804 8.104 4.437 1.00 0.00 C ATOM 1671 C ALA D 29 -7.791 7.120 3.867 1.00 0.00 C ATOM 1672 O ALA D 29 -7.883 5.917 4.100 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.844 8.444 3.366 1.00 0.00 C ATOM 0 H ALA D 29 -8.425 10.168 4.396 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.298 7.645 5.293 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.337 7.530 3.034 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.586 9.126 3.782 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.351 8.919 2.518 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.821 7.638 3.121 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.798 6.789 2.520 1.00 0.00 C ATOM 1681 C ALA D 30 -4.982 6.084 3.599 1.00 0.00 C ATOM 1682 O ALA D 30 -4.681 4.896 3.487 1.00 0.00 O ATOM 1683 CB ALA D 30 -4.868 7.634 1.648 1.00 0.00 C ATOM 0 H ALA D 30 -6.721 8.633 2.919 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.292 6.037 1.905 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.106 6.994 1.202 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.446 8.114 0.859 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.388 8.397 2.261 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.627 6.824 4.644 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.847 6.256 5.736 1.00 0.00 C ATOM 1691 C ASN D 31 -4.647 5.189 6.473 1.00 0.00 C ATOM 1692 O ASN D 31 -4.121 4.128 6.813 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.444 7.360 6.717 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.692 6.758 7.900 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -3.212 6.723 9.014 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -1.490 6.282 7.723 1.00 0.00 N ATOM 0 H ASN D 31 -4.865 7.809 4.757 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.953 5.795 5.315 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -2.817 8.095 6.213 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.331 7.886 7.069 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -0.980 5.880 8.509 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -1.061 6.312 6.798 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.921 5.476 6.723 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.780 4.533 7.429 1.00 0.00 C ATOM 1705 C ILE D 32 -6.967 3.259 6.610 1.00 0.00 C ATOM 1706 O ILE D 32 -6.884 2.153 7.142 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.143 5.176 7.699 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.976 6.324 8.698 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.096 4.129 8.286 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.260 7.154 8.740 1.00 0.00 C ATOM 0 H ILE D 32 -6.378 6.346 6.450 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.305 4.273 8.375 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.553 5.560 6.765 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.753 5.928 9.689 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.133 6.952 8.409 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.066 4.587 8.478 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.216 3.309 7.578 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.685 3.745 9.220 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.142 7.972 9.451 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.463 7.561 7.749 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.092 6.522 9.049 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.221 3.426 5.317 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.419 2.281 4.437 1.00 0.00 C ATOM 1724 C ILE D 33 -6.141 1.453 4.343 1.00 0.00 C ATOM 1725 O ILE D 33 -6.182 0.225 4.401 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.829 2.760 3.042 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.232 3.374 3.108 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.838 1.576 2.074 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -9.531 4.108 1.798 1.00 0.00 C ATOM 0 H ILE D 33 -7.294 4.334 4.858 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.211 1.657 4.851 1.00 0.00 H new ATOM 0 HB ILE D 33 -7.117 3.508 2.692 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.974 2.594 3.278 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.299 4.065 3.948 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -8.130 1.920 1.082 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.842 1.137 2.027 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.549 0.827 2.422 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -10.529 4.545 1.845 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -8.796 4.899 1.648 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -9.482 3.404 0.967 1.00 0.00 H new ATOM 1741 N GLY D 34 -5.011 2.135 4.190 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.727 1.451 4.084 1.00 0.00 C ATOM 1743 C GLY D 34 -3.428 0.660 5.356 1.00 0.00 C ATOM 1744 O GLY D 34 -3.058 -0.515 5.298 1.00 0.00 O ATOM 0 H GLY D 34 -4.957 3.152 4.137 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.738 0.779 3.226 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.935 2.179 3.908 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.602 1.308 6.502 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.354 0.653 7.784 1.00 0.00 C ATOM 1750 C ILE D 35 -4.317 -0.518 7.974 1.00 0.00 C ATOM 1751 O ILE D 35 -3.922 -1.597 8.424 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.530 1.660 8.924 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.417 2.709 8.850 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.449 0.927 10.267 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.779 3.897 9.741 1.00 0.00 C ATOM 0 H ILE D 35 -3.911 2.278 6.572 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.332 0.274 7.794 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.500 2.149 8.833 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.471 2.274 9.171 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.282 3.040 7.820 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.574 1.642 11.080 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.237 0.176 10.320 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.478 0.440 10.358 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.988 4.645 9.690 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.716 4.336 9.399 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.892 3.558 10.771 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.579 -0.298 7.629 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.581 -1.341 7.765 1.00 0.00 C ATOM 1769 C LEU D 36 -6.190 -2.568 6.944 1.00 0.00 C ATOM 1770 O LEU D 36 -6.376 -3.704 7.380 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.947 -0.821 7.292 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.975 -1.960 7.320 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.037 -2.564 8.729 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.350 -1.412 6.937 1.00 0.00 C ATOM 0 H LEU D 36 -5.929 0.585 7.257 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.644 -1.624 8.816 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.278 -0.005 7.934 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.864 -0.419 6.282 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.680 -2.733 6.610 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.768 -3.373 8.746 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.057 -2.955 9.001 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.331 -1.794 9.442 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -11.082 -2.220 6.956 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.644 -0.639 7.647 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.306 -0.986 5.935 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.656 -2.328 5.754 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.249 -3.420 4.875 1.00 0.00 C ATOM 1788 C HIS D 37 -4.215 -4.298 5.567 1.00 0.00 C ATOM 1789 O HIS D 37 -4.254 -5.524 5.457 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.659 -2.857 3.583 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.247 -3.993 2.684 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.805 -4.190 1.434 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.330 -5.000 2.844 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.225 -5.277 0.897 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.317 -5.810 1.713 1.00 0.00 N ATOM 0 H HIS D 37 -5.495 -1.395 5.376 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.126 -4.022 4.640 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.393 -2.228 3.079 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.799 -2.226 3.808 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.711 -5.143 3.717 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.466 -5.671 -0.079 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.738 -6.633 1.545 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.289 -3.668 6.276 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.252 -4.413 6.976 1.00 0.00 C ATOM 1805 C LEU D 38 -2.858 -5.365 7.995 1.00 0.00 C ATOM 1806 O LEU D 38 -2.384 -6.475 8.164 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.295 -3.434 7.685 1.00 0.00 C ATOM 1808 CG LEU D 38 -0.104 -3.106 6.769 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.527 -1.781 7.192 1.00 0.00 C ATOM 1810 CD2 LEU D 38 0.942 -4.230 6.882 1.00 0.00 C ATOM 0 H LEU D 38 -3.234 -2.655 6.381 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.699 -5.000 6.243 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.826 -2.519 7.946 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.938 -3.872 8.617 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.450 -3.023 5.739 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.370 -1.555 6.539 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.214 -0.985 7.117 1.00 0.00 H new ATOM 0 HD13 LEU D 38 0.876 -1.857 8.222 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.790 -4.004 6.235 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.284 -4.307 7.914 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.494 -5.176 6.577 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.892 -4.912 8.676 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.531 -5.737 9.693 1.00 0.00 C ATOM 1824 C ILE D 39 -5.060 -7.022 9.067 1.00 0.00 C ATOM 1825 O ILE D 39 -4.899 -8.106 9.622 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.688 -4.964 10.329 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -5.134 -3.746 11.075 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.426 -5.869 11.323 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.291 -2.875 11.570 1.00 0.00 C ATOM 0 H ILE D 39 -4.307 -3.989 8.549 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.797 -5.989 10.458 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.377 -4.639 9.550 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.524 -4.070 11.918 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.486 -3.167 10.416 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.250 -5.317 11.775 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.818 -6.741 10.799 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.736 -6.193 12.102 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.894 -2.009 12.100 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.883 -2.539 10.719 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.921 -3.456 12.244 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.697 -6.896 7.910 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.232 -8.062 7.219 1.00 0.00 C ATOM 1843 C LEU D 40 -5.119 -8.888 6.592 1.00 0.00 C ATOM 1844 O LEU D 40 -5.124 -10.118 6.674 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.220 -7.608 6.129 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.587 -7.317 6.760 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.236 -8.636 7.233 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.408 -6.374 7.958 1.00 0.00 C ATOM 0 H LEU D 40 -5.855 -6.008 7.434 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.748 -8.686 7.949 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.842 -6.716 5.630 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.317 -8.382 5.368 1.00 0.00 H new ATOM 0 HG LEU D 40 -9.232 -6.845 6.019 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.207 -8.424 7.681 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -9.367 -9.303 6.381 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -8.593 -9.114 7.972 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.380 -6.167 8.407 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -7.760 -6.844 8.697 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -7.957 -5.440 7.622 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.182 -8.203 5.947 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.074 -8.879 5.288 1.00 0.00 C ATOM 1862 C TRP D 41 -2.191 -9.582 6.308 1.00 0.00 C ATOM 1863 O TRP D 41 -1.709 -10.692 6.066 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.254 -7.883 4.476 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.077 -8.588 3.880 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.105 -9.320 2.742 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.308 -8.593 4.335 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.166 -9.810 2.496 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.070 -9.380 3.445 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.967 -8.005 5.428 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.435 -9.571 3.633 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.342 -8.192 5.616 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.072 -8.979 4.721 1.00 0.00 C ATOM 0 H TRP D 41 -4.168 -7.186 5.867 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.483 -9.630 4.612 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.867 -7.444 3.689 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.919 -7.064 5.113 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.976 -9.493 2.127 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.405 -10.415 1.710 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.408 -7.403 6.129 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 2.999 -10.176 2.938 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.839 -7.727 6.454 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.131 -9.128 4.873 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.980 -8.934 7.440 1.00 0.00 N ATOM 1885 CA ILE D 42 -1.157 -9.512 8.493 1.00 0.00 C ATOM 1886 C ILE D 42 -1.806 -10.776 9.048 1.00 0.00 C ATOM 1887 O ILE D 42 -1.148 -11.789 9.224 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.964 -8.490 9.625 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.044 -7.423 9.190 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -0.445 -9.198 10.882 1.00 0.00 C ATOM 1891 CD1 ILE D 42 0.032 -6.267 10.190 1.00 0.00 C ATOM 0 H ILE D 42 -2.363 -8.013 7.655 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.187 -9.773 8.070 1.00 0.00 H new ATOM 0 HB ILE D 42 -1.921 -8.018 9.845 1.00 0.00 H new ATOM 0 HG12 ILE D 42 1.043 -7.855 9.130 1.00 0.00 H new ATOM 0 HG13 ILE D 42 -0.205 -7.058 8.194 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -0.310 -8.469 11.681 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -1.165 -9.953 11.198 1.00 0.00 H new ATOM 0 HG23 ILE D 42 0.510 -9.676 10.662 1.00 0.00 H new ATOM 0 HD11 ILE D 42 0.750 -5.509 9.878 1.00 0.00 H new ATOM 0 HD12 ILE D 42 -0.965 -5.829 10.227 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.302 -6.638 11.179 1.00 0.00 H new ATOM 1903 N LEU D 43 -3.097 -10.697 9.330 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.820 -11.837 9.874 1.00 0.00 C ATOM 1905 C LEU D 43 -3.871 -12.972 8.866 1.00 0.00 C ATOM 1906 O LEU D 43 -3.785 -14.143 9.227 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.243 -11.420 10.257 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.195 -10.458 11.451 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -6.562 -9.791 11.622 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -4.836 -11.231 12.732 1.00 0.00 C ATOM 0 H LEU D 43 -3.664 -9.860 9.192 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.294 -12.185 10.763 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.732 -10.939 9.410 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.835 -12.300 10.510 1.00 0.00 H new ATOM 0 HG LEU D 43 -4.437 -9.697 11.269 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.530 -9.107 12.470 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -6.812 -9.236 10.718 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -7.320 -10.554 11.800 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -4.804 -10.542 13.576 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -5.589 -11.997 12.918 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -3.861 -11.703 12.611 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.026 -12.620 7.598 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.111 -13.620 6.545 1.00 0.00 C ATOM 1924 C ASP D 44 -2.857 -14.485 6.527 1.00 0.00 C ATOM 1925 O ASP D 44 -2.938 -15.704 6.387 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.273 -12.932 5.188 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.658 -12.300 5.085 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.541 -12.731 5.807 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.818 -11.397 4.278 1.00 0.00 O ATOM 0 H ASP D 44 -4.095 -11.655 7.275 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.976 -14.255 6.740 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.506 -12.168 5.065 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -4.134 -13.656 4.385 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.699 -13.849 6.661 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.436 -14.578 6.655 1.00 0.00 C ATOM 1936 C ARG D 45 -0.339 -15.513 7.854 1.00 0.00 C ATOM 1937 O ARG D 45 -0.077 -16.705 7.704 1.00 0.00 O ATOM 1938 CB ARG D 45 0.732 -13.591 6.675 1.00 0.00 C ATOM 1939 CG ARG D 45 2.052 -14.361 6.629 1.00 0.00 C ATOM 1940 CD ARG D 45 3.205 -13.385 6.389 1.00 0.00 C ATOM 1941 NE ARG D 45 3.080 -12.779 5.068 1.00 0.00 N ATOM 1942 CZ ARG D 45 3.280 -13.491 3.964 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.597 -14.753 4.047 1.00 0.00 N ATOM 1944 NH2 ARG D 45 3.163 -12.925 2.792 1.00 0.00 N ATOM 0 H ARG D 45 -1.608 -12.839 6.774 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.392 -15.179 5.746 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.664 -12.914 5.824 1.00 0.00 H new ATOM 0 HB3 ARG D 45 0.688 -12.977 7.575 1.00 0.00 H new ATOM 0 HG2 ARG D 45 2.205 -14.898 7.565 1.00 0.00 H new ATOM 0 HG3 ARG D 45 2.022 -15.107 5.835 1.00 0.00 H new ATOM 0 HD2 ARG D 45 3.201 -12.610 7.155 1.00 0.00 H new ATOM 0 HD3 ARG D 45 4.158 -13.908 6.469 1.00 0.00 H new ATOM 0 HE ARG D 45 2.835 -11.792 4.990 1.00 0.00 H new ATOM 0 HH11 ARG D 45 3.692 -15.196 4.961 1.00 0.00 H new ATOM 0 HH12 ARG D 45 3.750 -15.297 3.198 1.00 0.00 H new ATOM 0 HH21 ARG D 45 2.918 -11.937 2.725 1.00 0.00 H new ATOM 0 HH22 ARG D 45 3.316 -13.471 1.944 1.00 0.00 H new