USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 Set 1.1: A 84 GLN : amide:sc= -0.167 X(o=1.1,f=1.1) USER MOD Set 1.2: A 88 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -2.28 (180deg=-2.81!) USER MOD Single : A 14 GLN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.334 K(o=0.33,f=-5.9!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 MET CE :methyl 159:sc= -0.0489 (180deg=-0.375) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -110:sc= 0.00247 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 49 TYR OH : rot 70:sc= -0.141 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 1.22 K(o=1.2,f=-4.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.277 F(o=-0.99,f=-0.28) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.863 USER MOD Single : A 65 MET CE :methyl 166:sc= -0.226 (180deg=-0.791) USER MOD Single : A 71 GLN : amide:sc= -0.11 K(o=-0.11,f=-1) USER MOD Single : A 73 TYR OH : rot 6:sc= -0.344! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.0383 (180deg=-0.242) USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.388) USER MOD Single : A 81 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.7!) USER MOD Single : A 83 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.3!) USER MOD Single : A 89 THR OG1 : rot -106:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.645 9.269 6.133 1.00 0.00 N ATOM 85 CA ASP A 6 -9.299 8.069 5.658 1.00 0.00 C ATOM 86 C ASP A 6 -9.533 7.053 6.761 1.00 0.00 C ATOM 87 O ASP A 6 -8.631 6.782 7.567 1.00 0.00 O ATOM 88 CB ASP A 6 -8.508 7.415 4.549 1.00 0.00 C ATOM 89 CG ASP A 6 -9.411 6.573 3.697 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.668 5.436 4.043 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.940 7.103 2.688 1.00 0.00 O ATOM 0 HA ASP A 6 -10.269 8.391 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.026 8.178 3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.716 6.798 4.972 1.00 0.00 H new ATOM 96 N PRO A 7 -10.753 6.486 6.837 1.00 0.00 N ATOM 97 CA PRO A 7 -11.072 5.434 7.793 1.00 0.00 C ATOM 98 C PRO A 7 -10.289 4.135 7.524 1.00 0.00 C ATOM 99 O PRO A 7 -9.982 3.385 8.452 1.00 0.00 O ATOM 100 CB PRO A 7 -12.567 5.188 7.607 1.00 0.00 C ATOM 101 CG PRO A 7 -13.081 6.351 6.837 1.00 0.00 C ATOM 102 CD PRO A 7 -11.933 6.859 6.028 1.00 0.00 C ATOM 0 HA PRO A 7 -10.804 5.734 8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.745 4.256 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.071 5.104 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.910 6.056 6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.457 7.125 7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.904 6.401 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.993 7.937 5.878 1.00 0.00 H new ATOM 110 N GLU A 8 -9.934 3.879 6.274 1.00 0.00 N ATOM 111 CA GLU A 8 -9.196 2.678 5.951 1.00 0.00 C ATOM 112 C GLU A 8 -7.754 2.836 6.398 1.00 0.00 C ATOM 113 O GLU A 8 -7.167 1.914 6.968 1.00 0.00 O ATOM 114 CB GLU A 8 -9.269 2.349 4.451 1.00 0.00 C ATOM 115 CG GLU A 8 -10.675 2.096 3.927 1.00 0.00 C ATOM 116 CD GLU A 8 -11.363 0.968 4.643 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.247 -0.188 4.225 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.029 1.209 5.663 1.00 0.00 O ATOM 0 H GLU A 8 -10.144 4.482 5.478 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.651 1.842 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.829 3.173 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.658 1.468 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.268 3.005 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.627 1.870 2.862 1.00 0.00 H new ATOM 125 N PHE A 9 -7.221 4.032 6.207 1.00 0.00 N ATOM 126 CA PHE A 9 -5.842 4.333 6.565 1.00 0.00 C ATOM 127 C PHE A 9 -5.635 4.254 8.079 1.00 0.00 C ATOM 128 O PHE A 9 -4.647 3.673 8.552 1.00 0.00 O ATOM 129 CB PHE A 9 -5.423 5.711 6.037 1.00 0.00 C ATOM 130 CG PHE A 9 -3.971 6.029 6.281 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.005 5.597 5.396 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.574 6.750 7.398 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.674 5.878 5.614 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.243 7.028 7.619 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.292 6.591 6.726 1.00 0.00 C ATOM 0 H PHE A 9 -7.728 4.819 5.802 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.209 3.580 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.623 5.758 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.039 6.476 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.295 5.032 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.316 7.097 8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.929 5.538 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.946 7.589 8.493 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.248 6.807 6.898 1.00 0.00 H new ATOM 145 N VAL A 10 -6.567 4.816 8.843 1.00 0.00 N ATOM 146 CA VAL A 10 -6.462 4.773 10.296 1.00 0.00 C ATOM 147 C VAL A 10 -6.544 3.322 10.789 1.00 0.00 C ATOM 148 O VAL A 10 -5.879 2.936 11.758 1.00 0.00 O ATOM 149 CB VAL A 10 -7.491 5.696 11.034 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.922 5.229 10.858 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.141 5.833 12.509 1.00 0.00 C ATOM 0 H VAL A 10 -7.391 5.299 8.486 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.484 5.182 10.552 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.421 6.679 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.593 5.904 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.176 5.225 9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.028 4.221 11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.871 6.479 12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.154 4.850 12.979 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.147 6.269 12.608 1.00 0.00 H new ATOM 161 N LYS A 11 -7.343 2.510 10.106 1.00 0.00 N ATOM 162 CA LYS A 11 -7.415 1.112 10.431 1.00 0.00 C ATOM 163 C LYS A 11 -6.117 0.407 10.102 1.00 0.00 C ATOM 164 O LYS A 11 -5.693 -0.427 10.850 1.00 0.00 O ATOM 165 CB LYS A 11 -8.631 0.406 9.814 1.00 0.00 C ATOM 166 CG LYS A 11 -9.948 0.843 10.443 1.00 0.00 C ATOM 167 CD LYS A 11 -11.166 0.006 10.005 1.00 0.00 C ATOM 168 CE LYS A 11 -11.614 0.244 8.557 1.00 0.00 C ATOM 169 NZ LYS A 11 -10.727 -0.361 7.526 1.00 0.00 N ATOM 0 H LYS A 11 -7.940 2.803 9.333 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.563 1.052 11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.659 0.610 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.518 -0.672 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.855 0.789 11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.129 1.888 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.929 -1.051 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.000 0.226 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.620 -0.156 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.674 1.318 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.243 -0.440 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.889 0.241 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.428 -1.307 7.837 1.00 0.00 H new ATOM 183 N LEU A 12 -5.459 0.793 9.003 1.00 0.00 N ATOM 184 CA LEU A 12 -4.150 0.216 8.637 1.00 0.00 C ATOM 185 C LEU A 12 -3.117 0.448 9.731 1.00 0.00 C ATOM 186 O LEU A 12 -2.334 -0.443 10.040 1.00 0.00 O ATOM 187 CB LEU A 12 -3.619 0.780 7.317 1.00 0.00 C ATOM 188 CG LEU A 12 -4.357 0.389 6.045 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.752 1.110 4.863 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.270 -1.109 5.824 1.00 0.00 C ATOM 0 H LEU A 12 -5.805 1.498 8.352 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.313 -0.855 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.623 1.868 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.579 0.471 7.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.405 0.671 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.283 0.828 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.835 2.187 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.701 0.837 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.803 -1.374 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.224 -1.403 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.720 -1.628 6.670 1.00 0.00 H new ATOM 202 N ARG A 13 -3.137 1.641 10.319 1.00 0.00 N ATOM 203 CA ARG A 13 -2.230 1.988 11.420 1.00 0.00 C ATOM 204 C ARG A 13 -2.441 1.085 12.627 1.00 0.00 C ATOM 205 O ARG A 13 -1.489 0.642 13.267 1.00 0.00 O ATOM 206 CB ARG A 13 -2.410 3.455 11.843 1.00 0.00 C ATOM 207 CG ARG A 13 -1.763 4.483 10.927 1.00 0.00 C ATOM 208 CD ARG A 13 -0.257 4.298 10.912 1.00 0.00 C ATOM 209 NE ARG A 13 0.454 5.415 10.285 1.00 0.00 N ATOM 210 CZ ARG A 13 1.780 5.472 10.142 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.527 4.412 10.421 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.360 6.569 9.678 1.00 0.00 N ATOM 0 H ARG A 13 -3.774 2.391 10.052 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.215 1.843 11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.477 3.669 11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.001 3.579 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.159 4.381 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.010 5.489 11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.098 4.178 11.935 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.015 3.377 10.381 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.099 6.198 9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.088 3.550 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.540 4.459 10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.793 7.379 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.374 6.604 9.572 1.00 0.00 H new ATOM 226 N GLN A 14 -3.684 0.812 12.916 1.00 0.00 N ATOM 227 CA GLN A 14 -4.053 -0.007 14.056 1.00 0.00 C ATOM 228 C GLN A 14 -3.880 -1.496 13.740 1.00 0.00 C ATOM 229 O GLN A 14 -3.659 -2.319 14.636 1.00 0.00 O ATOM 230 CB GLN A 14 -5.502 0.286 14.436 1.00 0.00 C ATOM 231 CG GLN A 14 -5.750 1.720 14.874 1.00 0.00 C ATOM 232 CD GLN A 14 -7.215 2.009 15.089 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.742 1.815 16.177 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.871 2.491 14.064 1.00 0.00 N ATOM 0 H GLN A 14 -4.478 1.149 12.371 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.398 0.236 14.892 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.143 0.062 13.583 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.798 -0.385 15.242 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.204 1.915 15.797 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.355 2.401 14.120 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.392 2.637 13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.861 2.721 14.154 1.00 0.00 H new ATOM 314 N VAL A 19 3.223 -8.513 6.328 1.00 0.00 N ATOM 315 CA VAL A 19 3.755 -8.533 4.991 1.00 0.00 C ATOM 316 C VAL A 19 5.258 -8.355 5.001 1.00 0.00 C ATOM 317 O VAL A 19 5.850 -7.938 6.022 1.00 0.00 O ATOM 318 CB VAL A 19 3.155 -7.359 4.168 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.682 -7.553 3.926 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.389 -6.022 4.884 1.00 0.00 C ATOM 0 HA VAL A 19 3.497 -9.496 4.550 1.00 0.00 H new ATOM 0 HB VAL A 19 3.663 -7.344 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.295 -6.714 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.523 -8.479 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.160 -7.607 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.962 -5.213 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.912 -6.046 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.460 -5.857 5.005 1.00 0.00 H new ATOM 330 N ASN A 20 5.871 -8.670 3.888 1.00 0.00 N ATOM 331 CA ASN A 20 7.274 -8.374 3.698 1.00 0.00 C ATOM 332 C ASN A 20 7.343 -6.960 3.186 1.00 0.00 C ATOM 333 O ASN A 20 6.785 -6.667 2.121 1.00 0.00 O ATOM 334 CB ASN A 20 7.905 -9.293 2.645 1.00 0.00 C ATOM 335 CG ASN A 20 9.425 -9.220 2.579 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.041 -8.186 2.865 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.036 -10.303 2.178 1.00 0.00 N ATOM 0 H ASN A 20 5.423 -9.132 3.097 1.00 0.00 H new ATOM 0 HA ASN A 20 7.811 -8.516 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.611 -10.322 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.498 -9.038 1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.052 -10.313 2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.497 -11.138 1.950 1.00 0.00 H new ATOM 344 N PHE A 21 8.008 -6.093 3.920 1.00 0.00 N ATOM 345 CA PHE A 21 8.156 -4.690 3.534 1.00 0.00 C ATOM 346 C PHE A 21 8.746 -4.553 2.131 1.00 0.00 C ATOM 347 O PHE A 21 8.330 -3.693 1.354 1.00 0.00 O ATOM 348 CB PHE A 21 9.039 -3.953 4.549 1.00 0.00 C ATOM 349 CG PHE A 21 9.340 -2.526 4.177 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.412 -1.528 4.395 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.559 -2.189 3.602 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.688 -0.223 4.048 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.841 -0.889 3.255 1.00 0.00 C ATOM 354 CZ PHE A 21 9.906 0.096 3.476 1.00 0.00 C ATOM 0 H PHE A 21 8.463 -6.332 4.801 1.00 0.00 H new ATOM 0 HA PHE A 21 7.163 -4.241 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.547 -3.968 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.978 -4.495 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.460 -1.772 4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.295 -2.959 3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.954 0.550 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.794 -0.642 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.123 1.118 3.203 1.00 0.00 H new ATOM 364 N ASN A 22 9.653 -5.450 1.794 1.00 0.00 N ATOM 365 CA ASN A 22 10.354 -5.396 0.514 1.00 0.00 C ATOM 366 C ASN A 22 9.413 -5.733 -0.598 1.00 0.00 C ATOM 367 O ASN A 22 9.476 -5.156 -1.687 1.00 0.00 O ATOM 368 CB ASN A 22 11.532 -6.372 0.488 1.00 0.00 C ATOM 369 CG ASN A 22 12.656 -5.989 1.417 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.922 -4.806 1.649 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.309 -6.969 1.970 1.00 0.00 N ATOM 0 H ASN A 22 9.927 -6.232 2.389 1.00 0.00 H new ATOM 0 HA ASN A 22 10.736 -4.383 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.175 -7.367 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.918 -6.435 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.070 -6.772 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.060 -7.934 1.753 1.00 0.00 H new ATOM 378 N LEU A 23 8.512 -6.631 -0.304 1.00 0.00 N ATOM 379 CA LEU A 23 7.578 -7.097 -1.270 1.00 0.00 C ATOM 380 C LEU A 23 6.487 -6.069 -1.479 1.00 0.00 C ATOM 381 O LEU A 23 6.132 -5.795 -2.602 1.00 0.00 O ATOM 382 CB LEU A 23 7.032 -8.458 -0.866 1.00 0.00 C ATOM 383 CG LEU A 23 6.069 -9.149 -1.830 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.645 -9.226 -3.237 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.802 -10.539 -1.331 1.00 0.00 C ATOM 0 H LEU A 23 8.412 -7.056 0.618 1.00 0.00 H new ATOM 0 HA LEU A 23 8.080 -7.230 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.879 -9.124 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.525 -8.345 0.092 1.00 0.00 H new ATOM 0 HG LEU A 23 5.148 -8.568 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.933 -9.724 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.838 -8.219 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.577 -9.791 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.115 -11.044 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.739 -11.094 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.358 -10.490 -0.337 1.00 0.00 H new ATOM 397 N VAL A 24 5.992 -5.464 -0.395 1.00 0.00 N ATOM 398 CA VAL A 24 4.978 -4.397 -0.503 1.00 0.00 C ATOM 399 C VAL A 24 5.549 -3.242 -1.285 1.00 0.00 C ATOM 400 O VAL A 24 4.897 -2.696 -2.181 1.00 0.00 O ATOM 401 CB VAL A 24 4.523 -3.873 0.878 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.473 -2.768 0.744 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.985 -4.992 1.701 1.00 0.00 C ATOM 0 H VAL A 24 6.270 -5.688 0.561 1.00 0.00 H new ATOM 0 HA VAL A 24 4.112 -4.826 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 24 5.395 -3.447 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.177 -2.425 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.892 -1.934 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.600 -3.157 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.668 -4.610 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.132 -5.441 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.760 -5.745 1.843 1.00 0.00 H new ATOM 413 N MET A 25 6.793 -2.901 -0.969 1.00 0.00 N ATOM 414 CA MET A 25 7.495 -1.838 -1.653 1.00 0.00 C ATOM 415 C MET A 25 7.622 -2.159 -3.132 1.00 0.00 C ATOM 416 O MET A 25 7.534 -1.283 -3.959 1.00 0.00 O ATOM 417 CB MET A 25 8.859 -1.561 -0.988 1.00 0.00 C ATOM 418 CG MET A 25 9.673 -0.445 -1.631 1.00 0.00 C ATOM 419 SD MET A 25 11.173 -0.047 -0.693 1.00 0.00 S ATOM 420 CE MET A 25 12.077 -1.596 -0.793 1.00 0.00 C ATOM 0 H MET A 25 7.335 -3.355 -0.234 1.00 0.00 H new ATOM 0 HA MET A 25 6.916 -0.918 -1.569 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.692 -1.311 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.448 -2.478 -1.007 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.949 -0.739 -2.644 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.054 0.448 -1.716 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.135 -1.413 -0.606 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.692 -2.291 -0.047 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.954 -2.026 -1.787 1.00 0.00 H new ATOM 430 N GLN A 26 7.762 -3.428 -3.447 1.00 0.00 N ATOM 431 CA GLN A 26 7.819 -3.861 -4.822 1.00 0.00 C ATOM 432 C GLN A 26 6.421 -3.830 -5.457 1.00 0.00 C ATOM 433 O GLN A 26 6.296 -3.457 -6.597 1.00 0.00 O ATOM 434 CB GLN A 26 8.414 -5.260 -4.937 1.00 0.00 C ATOM 435 CG GLN A 26 8.478 -5.781 -6.362 1.00 0.00 C ATOM 436 CD GLN A 26 8.962 -7.204 -6.447 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.746 -8.006 -5.535 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.599 -7.537 -7.526 1.00 0.00 N ATOM 0 H GLN A 26 7.839 -4.181 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 26 8.467 -3.169 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.420 -5.253 -4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.821 -5.948 -4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.488 -5.712 -6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.140 -5.142 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.758 -6.845 -8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.941 -8.491 -7.643 1.00 0.00 H new ATOM 447 N ILE A 27 5.390 -4.217 -4.699 1.00 0.00 N ATOM 448 CA ILE A 27 3.998 -4.238 -5.194 1.00 0.00 C ATOM 449 C ILE A 27 3.595 -2.851 -5.691 1.00 0.00 C ATOM 450 O ILE A 27 3.163 -2.678 -6.842 1.00 0.00 O ATOM 451 CB ILE A 27 2.982 -4.672 -4.068 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.263 -6.096 -3.544 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.530 -4.552 -4.533 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.158 -7.192 -4.578 1.00 0.00 C ATOM 0 H ILE A 27 5.489 -4.524 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 27 3.960 -4.964 -6.006 1.00 0.00 H new ATOM 0 HB ILE A 27 3.132 -3.978 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.265 -6.117 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.565 -6.313 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.863 -4.861 -3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.319 -3.517 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.372 -5.193 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.373 -8.154 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.150 -7.206 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.876 -7.008 -5.378 1.00 0.00 H new ATOM 466 N LEU A 28 3.794 -1.870 -4.842 1.00 0.00 N ATOM 467 CA LEU A 28 3.444 -0.517 -5.160 1.00 0.00 C ATOM 468 C LEU A 28 4.374 0.100 -6.207 1.00 0.00 C ATOM 469 O LEU A 28 3.967 0.917 -7.019 1.00 0.00 O ATOM 470 CB LEU A 28 3.274 0.321 -3.888 1.00 0.00 C ATOM 471 CG LEU A 28 4.359 0.271 -2.803 1.00 0.00 C ATOM 472 CD1 LEU A 28 5.535 1.154 -3.148 1.00 0.00 C ATOM 473 CD2 LEU A 28 3.774 0.656 -1.456 1.00 0.00 C ATOM 0 H LEU A 28 4.202 -1.993 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 28 2.468 -0.525 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.165 1.362 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.333 0.025 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 28 4.728 -0.753 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.281 1.092 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.975 0.823 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.198 2.186 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.554 0.616 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.371 1.667 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.976 -0.039 -1.194 1.00 0.00 H new ATOM 485 N ASP A 29 5.596 -0.342 -6.201 1.00 0.00 N ATOM 486 CA ASP A 29 6.599 0.079 -7.191 1.00 0.00 C ATOM 487 C ASP A 29 6.238 -0.465 -8.559 1.00 0.00 C ATOM 488 O ASP A 29 6.291 0.236 -9.557 1.00 0.00 O ATOM 489 CB ASP A 29 7.947 -0.501 -6.817 1.00 0.00 C ATOM 490 CG ASP A 29 9.074 -0.014 -7.682 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.489 1.154 -7.553 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.593 -0.799 -8.487 1.00 0.00 O ATOM 0 H ASP A 29 5.948 -1.009 -5.514 1.00 0.00 H new ATOM 0 HA ASP A 29 6.631 1.168 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.164 -0.252 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.895 -1.588 -6.880 1.00 0.00 H new ATOM 497 N GLU A 30 5.857 -1.723 -8.573 1.00 0.00 N ATOM 498 CA GLU A 30 5.543 -2.448 -9.794 1.00 0.00 C ATOM 499 C GLU A 30 4.327 -1.839 -10.487 1.00 0.00 C ATOM 500 O GLU A 30 4.293 -1.743 -11.717 1.00 0.00 O ATOM 501 CB GLU A 30 5.329 -3.941 -9.492 1.00 0.00 C ATOM 502 CG GLU A 30 5.430 -4.851 -10.706 1.00 0.00 C ATOM 503 CD GLU A 30 5.302 -6.316 -10.347 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.201 -6.860 -9.657 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.343 -6.974 -10.788 1.00 0.00 O ATOM 0 H GLU A 30 5.754 -2.283 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 30 6.388 -2.362 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.065 -4.258 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.346 -4.070 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.650 -4.586 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.386 -4.684 -11.202 1.00 0.00 H new ATOM 512 N ILE A 31 3.332 -1.404 -9.709 1.00 0.00 N ATOM 513 CA ILE A 31 2.186 -0.741 -10.315 1.00 0.00 C ATOM 514 C ILE A 31 2.616 0.626 -10.837 1.00 0.00 C ATOM 515 O ILE A 31 2.285 0.992 -11.941 1.00 0.00 O ATOM 516 CB ILE A 31 0.932 -0.595 -9.367 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.223 0.291 -8.154 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.438 -1.956 -8.916 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.035 0.532 -7.252 1.00 0.00 C ATOM 0 H ILE A 31 3.299 -1.496 -8.694 1.00 0.00 H new ATOM 0 HA ILE A 31 1.854 -1.385 -11.129 1.00 0.00 H new ATOM 0 HB ILE A 31 0.150 -0.107 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.020 -0.167 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.598 1.253 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.426 -1.832 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.154 -2.547 -9.787 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.231 -2.469 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.334 1.169 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.758 1.021 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.329 -0.421 -6.867 1.00 0.00 H new ATOM 531 N GLU A 32 3.433 1.317 -10.048 1.00 0.00 N ATOM 532 CA GLU A 32 3.934 2.641 -10.360 1.00 0.00 C ATOM 533 C GLU A 32 4.724 2.645 -11.679 1.00 0.00 C ATOM 534 O GLU A 32 4.396 3.402 -12.599 1.00 0.00 O ATOM 535 CB GLU A 32 4.809 3.125 -9.202 1.00 0.00 C ATOM 536 CG GLU A 32 5.418 4.489 -9.391 1.00 0.00 C ATOM 537 CD GLU A 32 6.321 4.873 -8.256 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.843 5.420 -7.257 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.542 4.622 -8.347 1.00 0.00 O ATOM 0 H GLU A 32 3.770 0.959 -9.154 1.00 0.00 H new ATOM 0 HA GLU A 32 3.090 3.319 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.209 3.135 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.611 2.404 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.983 4.506 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.623 5.229 -9.486 1.00 0.00 H new ATOM 546 N LEU A 33 5.726 1.779 -11.781 1.00 0.00 N ATOM 547 CA LEU A 33 6.568 1.718 -12.970 1.00 0.00 C ATOM 548 C LEU A 33 5.787 1.311 -14.210 1.00 0.00 C ATOM 549 O LEU A 33 6.054 1.798 -15.308 1.00 0.00 O ATOM 550 CB LEU A 33 7.849 0.843 -12.752 1.00 0.00 C ATOM 551 CG LEU A 33 7.692 -0.651 -12.354 1.00 0.00 C ATOM 552 CD1 LEU A 33 7.277 -1.536 -13.525 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.971 -1.171 -11.733 1.00 0.00 C ATOM 0 H LEU A 33 5.975 1.109 -11.054 1.00 0.00 H new ATOM 0 HA LEU A 33 6.922 2.733 -13.150 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.429 0.877 -13.674 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.448 1.326 -11.980 1.00 0.00 H new ATOM 0 HG LEU A 33 6.887 -0.696 -11.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.183 -2.568 -13.186 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.319 -1.195 -13.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.032 -1.479 -14.309 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.843 -2.219 -11.460 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.787 -1.080 -12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.205 -0.590 -10.841 1.00 0.00 H new ATOM 565 N ASP A 34 4.804 0.448 -14.041 1.00 0.00 N ATOM 566 CA ASP A 34 4.028 -0.009 -15.179 1.00 0.00 C ATOM 567 C ASP A 34 3.043 1.072 -15.611 1.00 0.00 C ATOM 568 O ASP A 34 2.910 1.367 -16.807 1.00 0.00 O ATOM 569 CB ASP A 34 3.319 -1.330 -14.882 1.00 0.00 C ATOM 570 CG ASP A 34 2.938 -2.083 -16.145 1.00 0.00 C ATOM 571 OD1 ASP A 34 3.676 -1.994 -17.158 1.00 0.00 O ATOM 572 OD2 ASP A 34 1.968 -2.861 -16.123 1.00 0.00 O ATOM 0 H ASP A 34 4.526 0.054 -13.142 1.00 0.00 H new ATOM 0 HA ASP A 34 4.712 -0.199 -16.006 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.968 -1.957 -14.271 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.421 -1.133 -14.296 1.00 0.00 H new ATOM 577 N LEU A 35 2.435 1.726 -14.614 1.00 0.00 N ATOM 578 CA LEU A 35 1.448 2.812 -14.796 1.00 0.00 C ATOM 579 C LEU A 35 2.050 4.009 -15.538 1.00 0.00 C ATOM 580 O LEU A 35 1.315 4.817 -16.144 1.00 0.00 O ATOM 581 CB LEU A 35 0.924 3.287 -13.434 1.00 0.00 C ATOM 582 CG LEU A 35 -0.138 4.388 -13.458 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.431 3.875 -14.045 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.355 4.966 -12.070 1.00 0.00 C ATOM 0 H LEU A 35 2.616 1.514 -13.633 1.00 0.00 H new ATOM 0 HA LEU A 35 0.631 2.407 -15.394 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.511 2.426 -12.908 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.771 3.643 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 35 0.223 5.192 -14.099 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.171 4.676 -14.051 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.257 3.533 -15.065 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.800 3.045 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.115 5.746 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.686 4.177 -11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.579 5.390 -11.702 1.00 0.00 H new ATOM 664 N ILE A 41 -4.503 2.761 -12.788 1.00 0.00 N ATOM 665 CA ILE A 41 -3.931 2.172 -11.582 1.00 0.00 C ATOM 666 C ILE A 41 -4.667 0.887 -11.133 1.00 0.00 C ATOM 667 O ILE A 41 -4.033 -0.059 -10.688 1.00 0.00 O ATOM 668 CB ILE A 41 -3.784 3.193 -10.420 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.177 2.509 -9.188 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.106 3.871 -10.089 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.004 3.408 -8.010 1.00 0.00 C ATOM 0 HA ILE A 41 -2.921 1.871 -11.858 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.104 3.980 -10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.813 1.672 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.206 2.093 -9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.958 4.577 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.471 4.404 -10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.836 3.119 -9.791 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.570 2.845 -7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.342 4.232 -8.275 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.974 3.804 -7.709 1.00 0.00 H new ATOM 683 N LYS A 42 -5.993 0.845 -11.291 1.00 0.00 N ATOM 684 CA LYS A 42 -6.764 -0.366 -10.981 1.00 0.00 C ATOM 685 C LYS A 42 -6.318 -1.528 -11.875 1.00 0.00 C ATOM 686 O LYS A 42 -6.270 -2.674 -11.448 1.00 0.00 O ATOM 687 CB LYS A 42 -8.279 -0.119 -11.127 1.00 0.00 C ATOM 688 CG LYS A 42 -8.733 0.299 -12.525 1.00 0.00 C ATOM 689 CD LYS A 42 -10.212 0.640 -12.550 1.00 0.00 C ATOM 690 CE LYS A 42 -10.657 1.042 -13.945 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.028 1.574 -13.961 1.00 0.00 N ATOM 0 H LYS A 42 -6.553 1.628 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.569 -0.631 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.809 -1.029 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.576 0.654 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.154 1.162 -12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.532 -0.507 -13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.792 -0.219 -12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.413 1.453 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.973 1.793 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.597 0.178 -14.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.288 1.835 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.686 0.849 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.081 2.415 -13.351 1.00 0.00 H new ATOM 705 N THR A 43 -5.943 -1.195 -13.092 1.00 0.00 N ATOM 706 CA THR A 43 -5.488 -2.146 -14.048 1.00 0.00 C ATOM 707 C THR A 43 -4.063 -2.595 -13.678 1.00 0.00 C ATOM 708 O THR A 43 -3.741 -3.790 -13.727 1.00 0.00 O ATOM 709 CB THR A 43 -5.531 -1.518 -15.452 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.845 -0.943 -15.635 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.312 -2.571 -16.524 1.00 0.00 C ATOM 0 H THR A 43 -5.951 -0.235 -13.438 1.00 0.00 H new ATOM 0 HA THR A 43 -6.135 -3.024 -14.048 1.00 0.00 H new ATOM 0 HB THR A 43 -4.745 -0.767 -15.537 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.902 -0.533 -16.523 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.347 -2.102 -17.507 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.339 -3.040 -16.380 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.093 -3.328 -16.455 1.00 0.00 H new ATOM 719 N SER A 44 -3.235 -1.631 -13.268 1.00 0.00 N ATOM 720 CA SER A 44 -1.894 -1.894 -12.802 1.00 0.00 C ATOM 721 C SER A 44 -1.938 -2.862 -11.592 1.00 0.00 C ATOM 722 O SER A 44 -1.124 -3.798 -11.487 1.00 0.00 O ATOM 723 CB SER A 44 -1.236 -0.576 -12.400 1.00 0.00 C ATOM 724 OG SER A 44 -1.377 0.415 -13.414 1.00 0.00 O ATOM 0 H SER A 44 -3.489 -0.643 -13.254 1.00 0.00 H new ATOM 0 HA SER A 44 -1.313 -2.359 -13.598 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.682 -0.214 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.178 -0.744 -12.200 1.00 0.00 H new ATOM 0 HG SER A 44 -0.505 0.588 -13.826 1.00 0.00 H new ATOM 730 N ILE A 45 -2.925 -2.632 -10.702 1.00 0.00 N ATOM 731 CA ILE A 45 -3.180 -3.477 -9.527 1.00 0.00 C ATOM 732 C ILE A 45 -3.356 -4.936 -9.952 1.00 0.00 C ATOM 733 O ILE A 45 -2.726 -5.830 -9.384 1.00 0.00 O ATOM 734 CB ILE A 45 -4.462 -2.997 -8.737 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.257 -1.613 -8.089 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.916 -4.007 -7.688 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.181 -1.565 -7.023 1.00 0.00 C ATOM 0 H ILE A 45 -3.571 -1.847 -10.783 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.318 -3.391 -8.866 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.254 -2.913 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.008 -0.895 -8.870 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.200 -1.290 -7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.800 -3.627 -7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.157 -4.953 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.116 -4.164 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.108 -0.553 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.435 -2.254 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.224 -1.853 -7.459 1.00 0.00 H new ATOM 749 N ILE A 46 -4.167 -5.146 -10.988 1.00 0.00 N ATOM 750 CA ILE A 46 -4.485 -6.479 -11.509 1.00 0.00 C ATOM 751 C ILE A 46 -3.226 -7.288 -11.800 1.00 0.00 C ATOM 752 O ILE A 46 -3.080 -8.406 -11.304 1.00 0.00 O ATOM 753 CB ILE A 46 -5.328 -6.397 -12.814 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.633 -5.638 -12.570 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.616 -7.797 -13.368 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.467 -5.442 -13.817 1.00 0.00 C ATOM 0 H ILE A 46 -4.627 -4.390 -11.495 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.063 -6.977 -10.731 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.746 -5.850 -13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.224 -6.178 -11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.401 -4.663 -12.142 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.207 -7.713 -14.280 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.675 -8.301 -13.590 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.171 -8.374 -12.628 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.376 -4.896 -13.565 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.895 -4.875 -14.552 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.731 -6.414 -14.234 1.00 0.00 H new ATOM 768 N TYR A 47 -2.308 -6.691 -12.554 1.00 0.00 N ATOM 769 CA TYR A 47 -1.096 -7.387 -12.997 1.00 0.00 C ATOM 770 C TYR A 47 -0.276 -7.859 -11.810 1.00 0.00 C ATOM 771 O TYR A 47 0.034 -9.045 -11.667 1.00 0.00 O ATOM 772 CB TYR A 47 -0.203 -6.456 -13.816 1.00 0.00 C ATOM 773 CG TYR A 47 -0.863 -5.730 -14.951 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.545 -6.401 -15.948 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.785 -4.357 -15.024 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.130 -5.713 -16.987 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.359 -3.661 -16.057 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.032 -4.342 -17.038 1.00 0.00 C ATOM 779 OH TYR A 47 -2.589 -3.648 -18.094 1.00 0.00 O ATOM 0 H TYR A 47 -2.377 -5.725 -12.874 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.423 -8.235 -13.598 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.229 -5.716 -13.142 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.623 -7.042 -14.219 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.620 -7.478 -15.912 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.260 -3.816 -14.250 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.664 -6.248 -17.759 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.281 -2.585 -16.097 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.430 -2.688 -17.975 1.00 0.00 H new ATOM 789 N VAL A 48 0.011 -6.925 -10.939 1.00 0.00 N ATOM 790 CA VAL A 48 0.880 -7.143 -9.814 1.00 0.00 C ATOM 791 C VAL A 48 0.268 -8.118 -8.809 1.00 0.00 C ATOM 792 O VAL A 48 0.954 -9.022 -8.305 1.00 0.00 O ATOM 793 CB VAL A 48 1.228 -5.798 -9.146 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.206 -5.982 -8.001 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.796 -4.847 -10.188 1.00 0.00 C ATOM 0 H VAL A 48 -0.360 -5.976 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 48 1.800 -7.599 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 48 0.316 -5.374 -8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.429 -5.013 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.766 -6.637 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.127 -6.428 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.042 -3.896 -9.716 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.697 -5.280 -10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.057 -4.683 -10.972 1.00 0.00 H new ATOM 805 N TYR A 49 -1.012 -7.971 -8.554 1.00 0.00 N ATOM 806 CA TYR A 49 -1.709 -8.838 -7.629 1.00 0.00 C ATOM 807 C TYR A 49 -1.834 -10.248 -8.181 1.00 0.00 C ATOM 808 O TYR A 49 -1.652 -11.203 -7.455 1.00 0.00 O ATOM 809 CB TYR A 49 -3.080 -8.257 -7.224 1.00 0.00 C ATOM 810 CG TYR A 49 -3.008 -7.076 -6.248 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.018 -6.102 -6.353 1.00 0.00 C ATOM 812 CD2 TYR A 49 -3.923 -6.957 -5.209 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.944 -5.052 -5.463 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.854 -5.906 -4.310 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.863 -4.958 -4.445 1.00 0.00 C ATOM 816 OH TYR A 49 -2.782 -3.913 -3.552 1.00 0.00 O ATOM 0 H TYR A 49 -1.597 -7.252 -8.979 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.109 -8.897 -6.721 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.605 -7.936 -8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.677 -9.049 -6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.292 -6.171 -7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.702 -7.697 -5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.168 -4.307 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.573 -5.830 -3.508 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.025 -3.078 -4.003 1.00 0.00 H new ATOM 826 N SER A 50 -2.086 -10.366 -9.482 1.00 0.00 N ATOM 827 CA SER A 50 -2.211 -11.668 -10.128 1.00 0.00 C ATOM 828 C SER A 50 -0.840 -12.368 -10.189 1.00 0.00 C ATOM 829 O SER A 50 -0.746 -13.601 -10.208 1.00 0.00 O ATOM 830 CB SER A 50 -2.818 -11.509 -11.545 1.00 0.00 C ATOM 831 OG SER A 50 -3.071 -12.765 -12.171 1.00 0.00 O ATOM 0 H SER A 50 -2.208 -9.572 -10.111 1.00 0.00 H new ATOM 0 HA SER A 50 -2.884 -12.291 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.749 -10.945 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.137 -10.927 -12.166 1.00 0.00 H new ATOM 0 HG SER A 50 -3.454 -12.616 -13.061 1.00 0.00 H new ATOM 837 N SER A 51 0.212 -11.589 -10.201 1.00 0.00 N ATOM 838 CA SER A 51 1.536 -12.133 -10.238 1.00 0.00 C ATOM 839 C SER A 51 1.999 -12.540 -8.821 1.00 0.00 C ATOM 840 O SER A 51 2.441 -13.675 -8.588 1.00 0.00 O ATOM 841 CB SER A 51 2.501 -11.117 -10.878 1.00 0.00 C ATOM 842 OG SER A 51 3.803 -11.653 -11.040 1.00 0.00 O ATOM 0 H SER A 51 0.171 -10.570 -10.185 1.00 0.00 H new ATOM 0 HA SER A 51 1.534 -13.035 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.112 -10.809 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.551 -10.223 -10.256 1.00 0.00 H new ATOM 0 HG SER A 51 4.385 -10.980 -11.450 1.00 0.00 H new ATOM 848 N HIS A 52 1.820 -11.648 -7.868 1.00 0.00 N ATOM 849 CA HIS A 52 2.322 -11.857 -6.510 1.00 0.00 C ATOM 850 C HIS A 52 1.187 -12.310 -5.573 1.00 0.00 C ATOM 851 O HIS A 52 1.150 -11.922 -4.397 1.00 0.00 O ATOM 852 CB HIS A 52 2.969 -10.557 -5.971 1.00 0.00 C ATOM 853 CG HIS A 52 4.129 -10.010 -6.793 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.458 -10.260 -6.508 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.138 -9.176 -7.866 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.221 -9.600 -7.364 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.442 -8.942 -8.193 1.00 0.00 N ATOM 0 H HIS A 52 1.329 -10.764 -8.002 1.00 0.00 H new ATOM 0 HA HIS A 52 3.078 -12.642 -6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.199 -9.789 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.321 -10.741 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.271 -8.772 -8.368 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.301 -9.602 -7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.762 -8.350 -8.960 1.00 0.00 H new ATOM 866 N LEU A 53 0.328 -13.199 -6.094 1.00 0.00 N ATOM 867 CA LEU A 53 -0.874 -13.739 -5.405 1.00 0.00 C ATOM 868 C LEU A 53 -0.612 -14.199 -3.978 1.00 0.00 C ATOM 869 O LEU A 53 -1.440 -13.972 -3.096 1.00 0.00 O ATOM 870 CB LEU A 53 -1.445 -14.934 -6.179 1.00 0.00 C ATOM 871 CG LEU A 53 -2.103 -14.650 -7.522 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.425 -15.956 -8.226 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.382 -13.847 -7.329 1.00 0.00 C ATOM 0 H LEU A 53 0.446 -13.579 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.578 -12.908 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.636 -15.646 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.179 -15.428 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.410 -14.070 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.896 -15.745 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.505 -16.518 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.105 -16.543 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.840 -13.653 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.076 -14.412 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.147 -12.900 -6.842 1.00 0.00 H new ATOM 885 N ASP A 54 0.530 -14.834 -3.763 1.00 0.00 N ATOM 886 CA ASP A 54 0.879 -15.413 -2.455 1.00 0.00 C ATOM 887 C ASP A 54 0.792 -14.404 -1.314 1.00 0.00 C ATOM 888 O ASP A 54 0.126 -14.663 -0.310 1.00 0.00 O ATOM 889 CB ASP A 54 2.278 -16.027 -2.482 1.00 0.00 C ATOM 890 CG ASP A 54 2.720 -16.540 -1.118 1.00 0.00 C ATOM 891 OD1 ASP A 54 3.332 -15.773 -0.342 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.474 -17.725 -0.801 1.00 0.00 O ATOM 0 H ASP A 54 1.244 -14.967 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 54 0.139 -16.191 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.296 -16.849 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.991 -15.281 -2.834 1.00 0.00 H new ATOM 897 N GLU A 55 1.418 -13.259 -1.477 1.00 0.00 N ATOM 898 CA GLU A 55 1.413 -12.255 -0.429 1.00 0.00 C ATOM 899 C GLU A 55 0.043 -11.602 -0.346 1.00 0.00 C ATOM 900 O GLU A 55 -0.456 -11.299 0.751 1.00 0.00 O ATOM 901 CB GLU A 55 2.487 -11.202 -0.678 1.00 0.00 C ATOM 902 CG GLU A 55 2.693 -10.231 0.482 1.00 0.00 C ATOM 903 CD GLU A 55 3.275 -10.884 1.719 1.00 0.00 C ATOM 904 OE1 GLU A 55 2.677 -11.848 2.246 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.348 -10.438 2.193 1.00 0.00 O ATOM 0 H GLU A 55 1.934 -12.999 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 55 1.634 -12.744 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.431 -11.705 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.223 -10.634 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.355 -9.427 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.737 -9.774 0.737 1.00 0.00 H new ATOM 912 N ILE A 56 -0.577 -11.439 -1.513 1.00 0.00 N ATOM 913 CA ILE A 56 -1.884 -10.817 -1.628 1.00 0.00 C ATOM 914 C ILE A 56 -2.902 -11.591 -0.799 1.00 0.00 C ATOM 915 O ILE A 56 -3.570 -11.030 0.035 1.00 0.00 O ATOM 916 CB ILE A 56 -2.377 -10.746 -3.112 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.353 -10.031 -4.025 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.744 -10.069 -3.213 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.962 -8.635 -3.585 1.00 0.00 C ATOM 0 H ILE A 56 -0.182 -11.737 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.789 -9.797 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.476 -11.774 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.452 -10.642 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.765 -9.975 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.057 -10.036 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.474 -10.634 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.677 -9.054 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.241 -8.220 -4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.848 -8.001 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.515 -8.678 -2.592 1.00 0.00 H new ATOM 931 N ARG A 57 -2.954 -12.896 -0.998 1.00 0.00 N ATOM 932 CA ARG A 57 -3.915 -13.734 -0.292 1.00 0.00 C ATOM 933 C ARG A 57 -3.482 -14.007 1.156 1.00 0.00 C ATOM 934 O ARG A 57 -4.288 -14.445 1.974 1.00 0.00 O ATOM 935 CB ARG A 57 -4.162 -15.057 -1.042 1.00 0.00 C ATOM 936 CG ARG A 57 -2.953 -15.982 -1.112 1.00 0.00 C ATOM 937 CD ARG A 57 -3.253 -17.239 -1.912 1.00 0.00 C ATOM 938 NE ARG A 57 -4.352 -18.041 -1.337 1.00 0.00 N ATOM 939 CZ ARG A 57 -4.910 -19.111 -1.932 1.00 0.00 C ATOM 940 NH1 ARG A 57 -4.470 -19.520 -3.123 1.00 0.00 N ATOM 941 NH2 ARG A 57 -5.906 -19.765 -1.335 1.00 0.00 N ATOM 0 H ARG A 57 -2.344 -13.401 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.853 -13.180 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.981 -15.587 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.488 -14.829 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.116 -15.453 -1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.646 -16.257 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.510 -16.960 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.353 -17.852 -1.966 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.713 -17.764 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.709 -19.021 -3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.894 -20.331 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.247 -19.455 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.327 -20.576 -1.788 1.00 0.00 H new ATOM 955 N LYS A 58 -2.216 -13.761 1.469 1.00 0.00 N ATOM 956 CA LYS A 58 -1.710 -13.990 2.819 1.00 0.00 C ATOM 957 C LYS A 58 -2.232 -12.868 3.702 1.00 0.00 C ATOM 958 O LYS A 58 -2.809 -13.108 4.770 1.00 0.00 O ATOM 959 CB LYS A 58 -0.164 -14.003 2.814 1.00 0.00 C ATOM 960 CG LYS A 58 0.531 -14.746 3.980 1.00 0.00 C ATOM 961 CD LYS A 58 0.382 -14.080 5.350 1.00 0.00 C ATOM 962 CE LYS A 58 1.241 -14.810 6.383 1.00 0.00 C ATOM 963 NZ LYS A 58 1.257 -14.147 7.708 1.00 0.00 N ATOM 0 H LYS A 58 -1.523 -13.405 0.811 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.047 -14.955 3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.169 -14.452 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.184 -12.970 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.128 -15.757 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.593 -14.838 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.682 -13.034 5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.663 -14.094 5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.870 -15.828 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.262 -14.883 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.856 -14.691 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.637 -13.184 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.289 -14.100 8.084 1.00 0.00 H new ATOM 977 N ASN A 59 -2.074 -11.660 3.223 1.00 0.00 N ATOM 978 CA ASN A 59 -2.495 -10.468 3.934 1.00 0.00 C ATOM 979 C ASN A 59 -3.573 -9.765 3.129 1.00 0.00 C ATOM 980 O ASN A 59 -3.498 -8.557 2.869 1.00 0.00 O ATOM 981 CB ASN A 59 -1.302 -9.530 4.163 1.00 0.00 C ATOM 982 CG ASN A 59 -0.236 -10.107 5.087 1.00 0.00 C ATOM 983 OD1 ASN A 59 0.758 -10.766 4.520 1.00 0.00 O flip ATOM 984 ND2 ASN A 59 -0.296 -9.928 6.310 1.00 0.00 N flip ATOM 0 H ASN A 59 -1.645 -11.469 2.318 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.895 -10.750 4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.847 -9.294 3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.665 -8.592 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.080 -9.414 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.438 -10.295 6.916 1.00 0.00 H new ATOM 991 N LYS A 60 -4.602 -10.523 2.791 1.00 0.00 N ATOM 992 CA LYS A 60 -5.684 -10.070 1.919 1.00 0.00 C ATOM 993 C LYS A 60 -6.389 -8.821 2.429 1.00 0.00 C ATOM 994 O LYS A 60 -6.677 -7.923 1.656 1.00 0.00 O ATOM 995 CB LYS A 60 -6.676 -11.208 1.621 1.00 0.00 C ATOM 996 CG LYS A 60 -7.330 -11.826 2.843 1.00 0.00 C ATOM 997 CD LYS A 60 -8.275 -12.944 2.447 1.00 0.00 C ATOM 998 CE LYS A 60 -9.014 -13.498 3.651 1.00 0.00 C ATOM 999 NZ LYS A 60 -9.910 -14.613 3.285 1.00 0.00 N ATOM 0 H LYS A 60 -4.715 -11.483 3.116 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.216 -9.778 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.457 -10.826 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.153 -11.991 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.563 -12.214 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.877 -11.061 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.994 -12.573 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.713 -13.743 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.293 -13.841 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.596 -12.703 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.395 -14.962 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.615 -14.280 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.352 -15.383 2.864 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.613 -8.739 3.739 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.268 -7.585 4.327 1.00 0.00 C ATOM 1015 C GLU A 61 -6.444 -6.310 4.098 1.00 0.00 C ATOM 1016 O GLU A 61 -6.987 -5.238 3.823 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.479 -7.805 5.815 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.407 -8.961 6.169 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.782 -8.810 5.563 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.483 -7.819 5.863 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -10.182 -9.655 4.742 1.00 0.00 O ATOM 0 H GLU A 61 -6.348 -9.461 4.409 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.236 -7.460 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.510 -7.980 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.881 -6.890 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.964 -9.896 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.498 -9.030 7.253 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.133 -6.464 4.168 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.205 -5.366 3.982 1.00 0.00 C ATOM 1030 C PHE A 62 -4.227 -4.910 2.532 1.00 0.00 C ATOM 1031 O PHE A 62 -4.391 -3.723 2.249 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.783 -5.803 4.397 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.701 -4.775 4.174 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.584 -3.676 5.007 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.787 -4.925 3.137 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.582 -2.743 4.808 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.215 -3.996 2.934 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.319 -2.903 3.769 1.00 0.00 C ATOM 0 H PHE A 62 -4.682 -7.359 4.356 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.506 -4.529 4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.796 -6.069 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.523 -6.706 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.282 -3.545 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.861 -5.780 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.503 -1.889 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.916 -4.125 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.101 -2.174 3.613 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.112 -5.860 1.626 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.082 -5.554 0.209 1.00 0.00 C ATOM 1050 C TYR A 63 -5.402 -5.037 -0.310 1.00 0.00 C ATOM 1051 O TYR A 63 -5.428 -4.163 -1.173 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.524 -6.709 -0.615 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.031 -6.849 -0.429 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.157 -6.036 -1.141 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.495 -7.753 0.471 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.206 -6.125 -0.967 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.131 -7.844 0.652 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.714 -7.026 -0.071 1.00 0.00 C ATOM 1059 OH TYR A 63 2.071 -7.113 0.106 1.00 0.00 O ATOM 0 H TYR A 63 -4.038 -6.853 1.846 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.383 -4.727 0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.017 -7.637 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.747 -6.547 -1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.555 -5.320 -1.845 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.153 -8.395 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.869 -5.488 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.275 -8.553 1.358 1.00 0.00 H new ATOM 0 HH TYR A 63 2.262 -7.611 0.928 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.489 -5.527 0.254 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.833 -5.068 -0.112 1.00 0.00 C ATOM 1071 C ASP A 64 -7.973 -3.576 0.190 1.00 0.00 C ATOM 1072 O ASP A 64 -8.419 -2.778 -0.669 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.893 -5.862 0.664 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.318 -5.473 0.326 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.855 -4.522 0.931 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.947 -6.143 -0.521 1.00 0.00 O ATOM 0 H ASP A 64 -6.476 -6.249 0.974 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.983 -5.231 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.758 -6.924 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.731 -5.719 1.732 1.00 0.00 H new ATOM 1081 N MET A 65 -7.562 -3.193 1.395 1.00 0.00 N ATOM 1082 CA MET A 65 -7.599 -1.810 1.818 1.00 0.00 C ATOM 1083 C MET A 65 -6.598 -0.939 1.075 1.00 0.00 C ATOM 1084 O MET A 65 -6.958 0.136 0.608 1.00 0.00 O ATOM 1085 CB MET A 65 -7.429 -1.664 3.338 1.00 0.00 C ATOM 1086 CG MET A 65 -8.606 -2.198 4.130 1.00 0.00 C ATOM 1087 SD MET A 65 -8.490 -1.893 5.921 1.00 0.00 S ATOM 1088 CE MET A 65 -7.200 -3.048 6.385 1.00 0.00 C ATOM 0 H MET A 65 -7.196 -3.835 2.098 1.00 0.00 H new ATOM 0 HA MET A 65 -8.594 -1.449 1.557 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.525 -2.189 3.647 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.285 -0.611 3.580 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.522 -1.743 3.753 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.689 -3.271 3.959 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.843 -2.811 7.387 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.598 -4.063 6.372 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.374 -2.974 5.678 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.352 -1.391 0.925 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.364 -0.540 0.266 1.00 0.00 C ATOM 1100 C ILE A 66 -4.633 -0.359 -1.216 1.00 0.00 C ATOM 1101 O ILE A 66 -4.457 0.722 -1.710 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.872 -0.907 0.498 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.527 -2.277 -0.061 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.539 -0.839 1.981 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.041 -2.538 -0.144 1.00 0.00 C ATOM 0 H ILE A 66 -5.014 -2.302 1.236 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.509 0.411 0.778 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.267 -0.177 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.988 -3.042 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.961 -2.374 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.491 -1.098 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.719 0.171 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.168 -1.541 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.869 -3.534 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.577 -1.795 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.604 -2.473 0.852 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.097 -1.411 -1.917 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.430 -1.296 -3.356 1.00 0.00 C ATOM 1119 C ALA A 67 -6.479 -0.222 -3.556 1.00 0.00 C ATOM 1120 O ALA A 67 -6.431 0.557 -4.519 1.00 0.00 O ATOM 1121 CB ALA A 67 -5.933 -2.621 -3.907 1.00 0.00 C ATOM 0 H ALA A 67 -5.249 -2.338 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.524 -1.024 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.170 -2.509 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.161 -3.381 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.829 -2.924 -3.365 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.401 -0.184 -2.619 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.443 0.804 -2.569 1.00 0.00 C ATOM 1129 C GLU A 68 -7.819 2.186 -2.372 1.00 0.00 C ATOM 1130 O GLU A 68 -7.973 3.057 -3.219 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.374 0.430 -1.410 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.427 1.451 -1.004 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.417 1.766 -2.084 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.954 0.831 -2.703 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.735 2.951 -2.280 1.00 0.00 O ATOM 0 H GLU A 68 -7.443 -0.858 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.016 0.834 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.886 -0.496 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.757 0.216 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.963 1.078 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.928 2.372 -0.702 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.038 2.329 -1.305 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.389 3.594 -0.949 1.00 0.00 C ATOM 1144 C ILE A 69 -5.453 4.105 -2.053 1.00 0.00 C ATOM 1145 O ILE A 69 -5.423 5.298 -2.327 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.642 3.480 0.412 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.652 3.175 1.524 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.859 4.759 0.734 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.029 2.952 2.877 1.00 0.00 C ATOM 0 H ILE A 69 -6.834 1.568 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.182 4.334 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.920 2.666 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.360 4.001 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.223 2.288 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.350 4.643 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.123 4.941 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.547 5.603 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.811 2.742 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.343 2.107 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.482 3.846 3.177 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.730 3.200 -2.693 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.815 3.546 -3.782 1.00 0.00 C ATOM 1163 C LEU A 70 -4.518 4.343 -4.882 1.00 0.00 C ATOM 1164 O LEU A 70 -4.072 5.416 -5.242 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.139 2.284 -4.361 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.167 1.533 -3.425 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.726 0.222 -4.044 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -0.951 2.387 -3.111 1.00 0.00 C ATOM 0 H LEU A 70 -4.757 2.204 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.038 4.185 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.920 1.590 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.594 2.571 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.698 1.322 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.042 -0.289 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.598 -0.408 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.221 0.418 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.281 1.837 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.429 2.631 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.269 3.307 -2.621 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.645 3.843 -5.362 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.394 4.515 -6.446 1.00 0.00 C ATOM 1182 C GLN A 71 -7.034 5.797 -5.903 1.00 0.00 C ATOM 1183 O GLN A 71 -6.873 6.897 -6.447 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.507 3.588 -6.942 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.054 2.169 -7.240 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.196 1.271 -7.653 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.167 1.712 -8.274 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.147 0.038 -7.234 1.00 0.00 N ATOM 0 H GLN A 71 -6.071 2.978 -5.029 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.712 4.754 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.297 3.554 -6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.943 4.015 -7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.307 2.189 -8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.570 1.753 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.329 -0.295 -6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.926 -0.594 -7.417 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.692 5.610 -4.790 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.468 6.593 -4.035 1.00 0.00 C ATOM 1199 C ARG A 72 -7.630 7.835 -3.684 1.00 0.00 C ATOM 1200 O ARG A 72 -8.109 8.962 -3.747 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.898 5.819 -2.796 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.760 6.427 -1.718 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.055 5.268 -0.763 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.734 5.591 0.486 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.712 4.835 1.005 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -12.353 3.931 0.246 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.035 4.975 2.281 1.00 0.00 N ATOM 0 H ARG A 72 -7.709 4.695 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.314 6.991 -4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.422 4.931 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.984 5.478 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.243 7.240 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.678 6.844 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.660 4.536 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.110 4.783 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.452 6.432 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.097 3.815 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.096 3.361 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.541 5.654 2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.778 4.404 2.685 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.384 7.624 -3.344 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.512 8.708 -2.967 1.00 0.00 C ATOM 1223 C TYR A 73 -4.588 9.167 -4.057 1.00 0.00 C ATOM 1224 O TYR A 73 -4.026 10.267 -3.976 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.828 8.479 -1.621 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.790 8.721 -0.500 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.829 7.848 -0.255 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.714 9.870 0.254 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.754 8.106 0.715 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.651 10.143 1.217 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.666 9.254 1.443 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.635 9.542 2.369 1.00 0.00 O ATOM 0 H TYR A 73 -5.947 6.703 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.170 9.563 -2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.447 7.459 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.971 9.145 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.912 6.944 -0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.906 10.566 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.552 7.403 0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.588 11.054 1.794 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.252 8.784 2.444 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.447 8.377 -5.106 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.677 8.798 -6.243 1.00 0.00 C ATOM 1244 C TYR A 74 -4.403 9.961 -6.926 1.00 0.00 C ATOM 1245 O TYR A 74 -3.783 10.830 -7.535 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.404 7.597 -7.179 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.614 7.845 -8.637 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.623 8.385 -9.441 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.824 7.542 -9.204 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.853 8.616 -10.778 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -5.064 7.761 -10.517 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.080 8.301 -11.314 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.331 8.534 -12.647 1.00 0.00 O ATOM 0 H TYR A 74 -4.857 7.446 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.696 9.163 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.374 7.272 -7.030 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.046 6.771 -6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.661 8.627 -9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.604 7.119 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.078 9.040 -11.400 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.026 7.513 -10.940 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.245 8.253 -12.862 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.714 9.987 -6.754 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.546 11.051 -7.266 1.00 0.00 C ATOM 1265 C LYS A 75 -6.464 12.315 -6.381 1.00 0.00 C ATOM 1266 O LYS A 75 -6.853 13.393 -6.808 1.00 0.00 O ATOM 1267 CB LYS A 75 -8.003 10.589 -7.381 1.00 0.00 C ATOM 1268 CG LYS A 75 -8.266 9.502 -8.413 1.00 0.00 C ATOM 1269 CD LYS A 75 -8.018 10.009 -9.828 1.00 0.00 C ATOM 1270 CE LYS A 75 -8.402 8.978 -10.876 1.00 0.00 C ATOM 1271 NZ LYS A 75 -9.840 8.642 -10.846 1.00 0.00 N ATOM 0 H LYS A 75 -6.229 9.264 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.172 11.307 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.329 10.227 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.622 11.453 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.622 8.645 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.295 9.155 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.590 10.923 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.965 10.267 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.142 9.357 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.818 8.071 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.098 8.143 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.037 8.031 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.399 9.515 -10.768 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.991 12.179 -5.148 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.873 13.351 -4.264 1.00 0.00 C ATOM 1287 C LYS A 76 -4.457 13.891 -4.210 1.00 0.00 C ATOM 1288 O LYS A 76 -4.218 15.092 -4.388 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.272 13.028 -2.823 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.742 12.773 -2.556 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.982 12.540 -1.058 1.00 0.00 C ATOM 1292 CE LYS A 76 -7.591 13.764 -0.203 1.00 0.00 C ATOM 1293 NZ LYS A 76 -7.705 13.498 1.245 1.00 0.00 N ATOM 0 H LYS A 76 -5.688 11.296 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.548 14.092 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.713 12.148 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.951 13.855 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.333 13.623 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.076 11.904 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.034 12.306 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.408 11.673 -0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.567 14.055 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.230 14.607 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.802 14.398 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.541 12.906 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.852 13.003 1.575 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.525 13.012 -3.941 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.151 13.411 -3.722 1.00 0.00 C ATOM 1309 C ILE A 77 -1.215 12.823 -4.759 1.00 0.00 C ATOM 1310 O ILE A 77 -0.174 13.399 -5.064 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.681 13.058 -2.281 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.908 11.563 -1.980 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.408 13.935 -1.261 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.492 11.133 -0.593 1.00 0.00 C ATOM 0 H ILE A 77 -3.691 12.008 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.115 14.495 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.611 13.254 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.965 11.335 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.357 10.971 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.072 13.680 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.189 14.984 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.482 13.768 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.687 10.068 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.428 11.325 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.061 11.695 0.148 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.589 11.694 -5.303 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.778 11.072 -6.309 1.00 0.00 C ATOM 1328 C GLY A 78 -0.279 9.744 -5.850 1.00 0.00 C ATOM 1329 O GLY A 78 -0.042 9.558 -4.657 1.00 0.00 O ATOM 0 H GLY A 78 -2.445 11.192 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.358 10.950 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.066 11.718 -6.551 1.00 0.00 H new ATOM 1333 N ILE A 79 -0.100 8.826 -6.788 1.00 0.00 N ATOM 1334 CA ILE A 79 0.288 7.450 -6.478 1.00 0.00 C ATOM 1335 C ILE A 79 1.620 7.380 -5.745 1.00 0.00 C ATOM 1336 O ILE A 79 1.735 6.684 -4.756 1.00 0.00 O ATOM 1337 CB ILE A 79 0.295 6.522 -7.752 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.791 5.103 -7.426 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.118 7.117 -8.883 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.041 4.361 -6.407 1.00 0.00 C ATOM 0 H ILE A 79 -0.218 9.009 -7.784 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.480 7.068 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.741 6.453 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.816 4.521 -8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.816 5.166 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.096 6.445 -9.741 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.701 8.083 -9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.148 7.250 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.384 3.371 -6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.046 4.915 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.062 4.260 -6.775 1.00 0.00 H new ATOM 1352 N GLU A 80 2.575 8.165 -6.180 1.00 0.00 N ATOM 1353 CA GLU A 80 3.911 8.140 -5.615 1.00 0.00 C ATOM 1354 C GLU A 80 3.911 8.581 -4.169 1.00 0.00 C ATOM 1355 O GLU A 80 4.659 8.053 -3.340 1.00 0.00 O ATOM 1356 CB GLU A 80 4.822 8.985 -6.458 1.00 0.00 C ATOM 1357 CG GLU A 80 4.974 8.413 -7.847 1.00 0.00 C ATOM 1358 CD GLU A 80 5.783 9.251 -8.761 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.025 9.217 -8.680 1.00 0.00 O ATOM 1360 OE2 GLU A 80 5.203 9.913 -9.637 1.00 0.00 O ATOM 0 H GLU A 80 2.453 8.840 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 80 4.281 7.115 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.426 9.998 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.800 9.054 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.433 7.427 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.984 8.273 -8.281 1.00 0.00 H new ATOM 1367 N ASN A 81 3.061 9.526 -3.874 1.00 0.00 N ATOM 1368 CA ASN A 81 2.864 9.984 -2.501 1.00 0.00 C ATOM 1369 C ASN A 81 2.291 8.858 -1.669 1.00 0.00 C ATOM 1370 O ASN A 81 2.796 8.551 -0.593 1.00 0.00 O ATOM 1371 CB ASN A 81 1.917 11.198 -2.415 1.00 0.00 C ATOM 1372 CG ASN A 81 2.448 12.461 -3.058 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.205 12.423 -4.030 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.073 13.588 -2.520 1.00 0.00 N ATOM 0 H ASN A 81 2.483 10.006 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 81 3.838 10.291 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.970 10.937 -2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.705 11.402 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.407 14.472 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.445 13.585 -1.716 1.00 0.00 H new ATOM 1381 N VAL A 82 1.264 8.206 -2.208 1.00 0.00 N ATOM 1382 CA VAL A 82 0.582 7.117 -1.513 1.00 0.00 C ATOM 1383 C VAL A 82 1.540 5.952 -1.299 1.00 0.00 C ATOM 1384 O VAL A 82 1.577 5.379 -0.227 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.675 6.617 -2.273 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.455 5.625 -1.421 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.564 7.769 -2.658 1.00 0.00 C ATOM 0 H VAL A 82 0.883 8.415 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 82 0.250 7.514 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.340 6.118 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.333 5.285 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.821 4.770 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.770 6.108 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.438 7.392 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.885 8.297 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.014 8.453 -3.304 1.00 0.00 H new ATOM 1397 N ASN A 83 2.327 5.645 -2.321 1.00 0.00 N ATOM 1398 CA ASN A 83 3.348 4.586 -2.271 1.00 0.00 C ATOM 1399 C ASN A 83 4.258 4.756 -1.075 1.00 0.00 C ATOM 1400 O ASN A 83 4.479 3.822 -0.293 1.00 0.00 O ATOM 1401 CB ASN A 83 4.177 4.551 -3.573 1.00 0.00 C ATOM 1402 CG ASN A 83 3.402 3.973 -4.742 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.473 3.210 -4.558 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.797 4.278 -5.944 1.00 0.00 N ATOM 0 H ASN A 83 2.281 6.124 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 83 2.825 3.635 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.501 5.562 -3.821 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.078 3.959 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.325 3.875 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.578 4.920 -6.076 1.00 0.00 H new ATOM 1411 N GLN A 84 4.730 5.963 -0.899 1.00 0.00 N ATOM 1412 CA GLN A 84 5.601 6.298 0.200 1.00 0.00 C ATOM 1413 C GLN A 84 4.803 6.196 1.519 1.00 0.00 C ATOM 1414 O GLN A 84 5.266 5.605 2.503 1.00 0.00 O ATOM 1415 CB GLN A 84 6.119 7.726 -0.007 1.00 0.00 C ATOM 1416 CG GLN A 84 7.471 8.064 0.641 1.00 0.00 C ATOM 1417 CD GLN A 84 7.500 7.955 2.147 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.191 8.907 2.855 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.910 6.816 2.652 1.00 0.00 N ATOM 0 H GLN A 84 4.520 6.747 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 84 6.448 5.613 0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.199 7.908 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.372 8.420 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.231 7.400 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.748 9.080 0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.159 6.044 2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.980 6.702 3.663 1.00 0.00 H new ATOM 1428 N LEU A 85 3.598 6.738 1.518 1.00 0.00 N ATOM 1429 CA LEU A 85 2.741 6.746 2.700 1.00 0.00 C ATOM 1430 C LEU A 85 2.371 5.343 3.175 1.00 0.00 C ATOM 1431 O LEU A 85 2.374 5.088 4.374 1.00 0.00 O ATOM 1432 CB LEU A 85 1.503 7.617 2.488 1.00 0.00 C ATOM 1433 CG LEU A 85 1.782 9.113 2.297 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.505 9.870 2.002 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.475 9.693 3.524 1.00 0.00 C ATOM 0 H LEU A 85 3.182 7.186 0.701 1.00 0.00 H new ATOM 0 HA LEU A 85 3.327 7.193 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.965 7.250 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.841 7.494 3.345 1.00 0.00 H new ATOM 0 HG LEU A 85 2.447 9.223 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.731 10.928 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.053 9.480 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.190 9.748 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.664 10.755 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.837 9.563 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.421 9.176 3.686 1.00 0.00 H new ATOM 1447 N ILE A 86 2.100 4.432 2.250 1.00 0.00 N ATOM 1448 CA ILE A 86 1.783 3.043 2.605 1.00 0.00 C ATOM 1449 C ILE A 86 2.989 2.389 3.284 1.00 0.00 C ATOM 1450 O ILE A 86 2.848 1.693 4.296 1.00 0.00 O ATOM 1451 CB ILE A 86 1.328 2.197 1.369 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.056 2.791 0.727 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.095 0.731 1.749 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.144 2.896 1.659 1.00 0.00 C ATOM 0 H ILE A 86 2.092 4.623 1.248 1.00 0.00 H new ATOM 0 HA ILE A 86 0.942 3.069 3.298 1.00 0.00 H new ATOM 0 HB ILE A 86 2.135 2.234 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.289 3.785 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.221 2.178 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.780 0.172 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.020 0.305 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.319 0.672 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.988 3.324 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.411 1.903 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.893 3.536 2.505 1.00 0.00 H new ATOM 1466 N LEU A 87 4.183 2.679 2.771 1.00 0.00 N ATOM 1467 CA LEU A 87 5.414 2.161 3.365 1.00 0.00 C ATOM 1468 C LEU A 87 5.581 2.733 4.767 1.00 0.00 C ATOM 1469 O LEU A 87 6.010 2.051 5.700 1.00 0.00 O ATOM 1470 CB LEU A 87 6.625 2.525 2.504 1.00 0.00 C ATOM 1471 CG LEU A 87 6.636 1.952 1.093 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.875 2.399 0.345 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.561 0.442 1.139 1.00 0.00 C ATOM 0 H LEU A 87 4.324 3.267 1.949 1.00 0.00 H new ATOM 0 HA LEU A 87 5.348 1.074 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.683 3.611 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.526 2.190 3.018 1.00 0.00 H new ATOM 0 HG LEU A 87 5.762 2.328 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.864 1.979 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.890 3.487 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.763 2.053 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.570 0.046 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.418 0.052 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.641 0.138 1.639 1.00 0.00 H new ATOM 1485 N THR A 88 5.193 3.975 4.892 1.00 0.00 N ATOM 1486 CA THR A 88 5.217 4.699 6.133 1.00 0.00 C ATOM 1487 C THR A 88 4.215 4.090 7.136 1.00 0.00 C ATOM 1488 O THR A 88 4.484 4.029 8.327 1.00 0.00 O ATOM 1489 CB THR A 88 4.877 6.183 5.854 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.841 6.712 4.925 1.00 0.00 O ATOM 1491 CG2 THR A 88 4.876 7.024 7.119 1.00 0.00 C ATOM 0 H THR A 88 4.841 4.526 4.109 1.00 0.00 H new ATOM 0 HA THR A 88 6.211 4.631 6.575 1.00 0.00 H new ATOM 0 HB THR A 88 3.871 6.226 5.438 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.675 6.339 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.632 8.057 6.869 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.133 6.634 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.862 6.986 7.582 1.00 0.00 H new ATOM 1499 N THR A 89 3.099 3.593 6.628 1.00 0.00 N ATOM 1500 CA THR A 89 2.051 3.045 7.461 1.00 0.00 C ATOM 1501 C THR A 89 2.550 1.800 8.202 1.00 0.00 C ATOM 1502 O THR A 89 2.295 1.631 9.405 1.00 0.00 O ATOM 1503 CB THR A 89 0.814 2.679 6.614 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.489 3.771 5.754 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.390 2.399 7.507 1.00 0.00 C ATOM 0 H THR A 89 2.898 3.560 5.629 1.00 0.00 H new ATOM 0 HA THR A 89 1.769 3.806 8.188 1.00 0.00 H new ATOM 0 HB THR A 89 1.049 1.787 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.315 4.222 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.250 2.143 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.163 1.567 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.619 3.286 8.098 1.00 0.00 H new ATOM 1513 N ILE A 90 3.304 0.975 7.504 1.00 0.00 N ATOM 1514 CA ILE A 90 3.778 -0.261 8.080 1.00 0.00 C ATOM 1515 C ILE A 90 5.157 -0.151 8.732 1.00 0.00 C ATOM 1516 O ILE A 90 5.403 -0.804 9.746 1.00 0.00 O ATOM 1517 CB ILE A 90 3.760 -1.441 7.070 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.548 -1.089 5.787 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.324 -1.837 6.751 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.652 -2.221 4.781 1.00 0.00 C ATOM 0 H ILE A 90 3.599 1.139 6.542 1.00 0.00 H new ATOM 0 HA ILE A 90 3.062 -0.476 8.874 1.00 0.00 H new ATOM 0 HB ILE A 90 4.256 -2.297 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.071 -0.235 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.554 -0.776 6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.324 -2.665 6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.819 -2.143 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.800 -0.986 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.220 -1.886 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.158 -3.070 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.652 -2.521 4.466 1.00 0.00 H new