USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 662 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 76 HIS : no HD1:sc= -0.716 X(o=-0.81,f=-0.93) USER MOD Set 1.2: A 82 ASN : amide:sc= -0.0938 K(o=-0.81,f=-5.1!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -2.47! C(o=-2.5!,f=-7.7!) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0.553 (180deg=0.411) USER MOD Single : A 15 LYS NZ :NH3+ -110:sc= 0.763 (180deg=-0.00692) USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= 0.406 (180deg=-2.01!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -171:sc= -1.32 (180deg=-1.69) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= -0.0131 (180deg=-0.127) USER MOD Single : A 27 MET CE :methyl 173:sc= -1.32 (180deg=-1.42) USER MOD Single : A 28 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.03) USER MOD Single : A 34 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 45 TYR OH : rot -130:sc= 0.713 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.21) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc=-0.00422 X(o=-0.0042,f=-0.075) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.071) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 10.084 13.141 -6.207 1.00 0.00 N ATOM 98 CA LEU A 7 9.287 14.345 -6.518 1.00 0.00 C ATOM 99 C LEU A 7 10.170 15.560 -6.187 1.00 0.00 C ATOM 100 O LEU A 7 10.377 15.882 -5.006 1.00 0.00 O ATOM 101 CB LEU A 7 7.936 14.353 -5.712 1.00 0.00 C ATOM 102 CG LEU A 7 6.868 15.448 -6.121 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.427 14.961 -5.838 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.108 16.815 -5.423 1.00 0.00 C ATOM 0 HA LEU A 7 9.001 14.368 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.473 13.372 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.171 14.485 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 7 6.991 15.600 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.717 15.735 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.230 14.054 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.317 14.750 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.345 17.525 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.054 16.686 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.093 17.194 -5.695 1.00 0.00 H new ATOM 116 N ASN A 8 10.732 16.192 -7.231 1.00 0.00 N ATOM 117 CA ASN A 8 11.678 17.312 -7.074 1.00 0.00 C ATOM 118 C ASN A 8 10.976 18.640 -7.398 1.00 0.00 C ATOM 119 O ASN A 8 10.462 19.316 -6.496 1.00 0.00 O ATOM 120 CB ASN A 8 12.923 17.114 -7.979 1.00 0.00 C ATOM 121 CG ASN A 8 13.601 15.764 -7.787 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.299 14.803 -8.495 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.502 15.672 -6.820 1.00 0.00 N ATOM 0 H ASN A 8 10.545 15.944 -8.203 1.00 0.00 H new ATOM 0 HA ASN A 8 12.018 17.338 -6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.625 17.218 -9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.643 17.906 -7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.971 14.784 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.727 16.490 -6.253 1.00 0.00 H new ATOM 130 N ASN A 9 10.918 18.994 -8.699 1.00 0.00 N ATOM 131 CA ASN A 9 10.338 20.262 -9.150 1.00 0.00 C ATOM 132 C ASN A 9 8.826 20.082 -9.318 1.00 0.00 C ATOM 133 O ASN A 9 8.352 19.694 -10.393 1.00 0.00 O ATOM 134 CB ASN A 9 11.013 20.735 -10.464 1.00 0.00 C ATOM 135 CG ASN A 9 10.587 22.149 -10.877 1.00 0.00 C ATOM 136 OD1 ASN A 9 9.637 22.332 -11.628 1.00 0.00 O ATOM 137 ND2 ASN A 9 11.272 23.159 -10.365 1.00 0.00 N ATOM 0 H ASN A 9 11.271 18.409 -9.456 1.00 0.00 H new ATOM 0 HA ASN A 9 10.517 21.039 -8.406 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.096 20.708 -10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.766 20.038 -11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.013 24.119 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.059 22.978 -9.742 1.00 0.00 H new ATOM 144 N GLU A 10 8.094 20.328 -8.207 1.00 0.00 N ATOM 145 CA GLU A 10 6.626 20.198 -8.123 1.00 0.00 C ATOM 146 C GLU A 10 5.927 20.973 -9.248 1.00 0.00 C ATOM 147 O GLU A 10 4.912 20.520 -9.760 1.00 0.00 O ATOM 148 CB GLU A 10 6.130 20.696 -6.737 1.00 0.00 C ATOM 149 CG GLU A 10 4.605 20.574 -6.522 1.00 0.00 C ATOM 150 CD GLU A 10 4.110 21.181 -5.202 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.879 22.407 -5.159 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.972 20.444 -4.199 1.00 0.00 O ATOM 0 H GLU A 10 8.518 20.628 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 10 6.372 19.144 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.641 20.131 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.419 21.740 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.091 21.063 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.327 19.520 -6.552 1.00 0.00 H new ATOM 159 N GLU A 11 6.521 22.117 -9.633 1.00 0.00 N ATOM 160 CA GLU A 11 6.020 23.004 -10.696 1.00 0.00 C ATOM 161 C GLU A 11 5.700 22.240 -12.003 1.00 0.00 C ATOM 162 O GLU A 11 4.664 22.482 -12.616 1.00 0.00 O ATOM 163 CB GLU A 11 7.075 24.094 -10.977 1.00 0.00 C ATOM 164 CG GLU A 11 6.654 25.173 -11.993 1.00 0.00 C ATOM 165 CD GLU A 11 7.837 26.017 -12.490 1.00 0.00 C ATOM 166 OE1 GLU A 11 8.483 25.617 -13.485 1.00 0.00 O ATOM 167 OE2 GLU A 11 8.139 27.060 -11.879 1.00 0.00 O ATOM 0 H GLU A 11 7.381 22.457 -9.204 1.00 0.00 H new ATOM 0 HA GLU A 11 5.088 23.449 -10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.327 24.583 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.983 23.612 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.172 24.694 -12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.914 25.828 -11.534 1.00 0.00 H new ATOM 174 N LYS A 12 6.584 21.298 -12.401 1.00 0.00 N ATOM 175 CA LYS A 12 6.411 20.505 -13.647 1.00 0.00 C ATOM 176 C LYS A 12 5.240 19.526 -13.527 1.00 0.00 C ATOM 177 O LYS A 12 4.546 19.236 -14.512 1.00 0.00 O ATOM 178 CB LYS A 12 7.706 19.737 -14.006 1.00 0.00 C ATOM 179 CG LYS A 12 8.952 20.644 -14.196 1.00 0.00 C ATOM 180 CD LYS A 12 9.920 20.133 -15.277 1.00 0.00 C ATOM 181 CE LYS A 12 9.286 20.164 -16.679 1.00 0.00 C ATOM 182 NZ LYS A 12 10.197 19.647 -17.720 1.00 0.00 N ATOM 0 H LYS A 12 7.428 21.065 -11.878 1.00 0.00 H new ATOM 0 HA LYS A 12 6.191 21.210 -14.448 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.915 19.012 -13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.538 19.173 -14.923 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.624 21.650 -14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.485 20.720 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.823 20.744 -15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.224 19.114 -15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.371 19.572 -16.674 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.002 21.187 -16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.646 19.369 -18.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.878 20.387 -17.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.710 18.820 -17.353 1.00 0.00 H new ATOM 196 N LEU A 13 5.036 19.029 -12.308 1.00 0.00 N ATOM 197 CA LEU A 13 3.921 18.141 -11.984 1.00 0.00 C ATOM 198 C LEU A 13 2.586 18.911 -12.033 1.00 0.00 C ATOM 199 O LEU A 13 1.579 18.400 -12.531 1.00 0.00 O ATOM 200 CB LEU A 13 4.128 17.475 -10.612 1.00 0.00 C ATOM 201 CG LEU A 13 5.287 16.428 -10.522 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.686 17.056 -10.425 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.056 15.451 -9.375 1.00 0.00 C ATOM 0 H LEU A 13 5.643 19.232 -11.514 1.00 0.00 H new ATOM 0 HA LEU A 13 3.884 17.350 -12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.314 18.257 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.198 16.983 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 13 5.264 15.884 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.436 16.267 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.872 17.668 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.744 17.679 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.877 14.735 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.008 15.999 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.118 14.919 -9.533 1.00 0.00 H new ATOM 215 N VAL A 14 2.614 20.151 -11.520 1.00 0.00 N ATOM 216 CA VAL A 14 1.472 21.075 -11.549 1.00 0.00 C ATOM 217 C VAL A 14 1.076 21.370 -13.006 1.00 0.00 C ATOM 218 O VAL A 14 -0.088 21.222 -13.368 1.00 0.00 O ATOM 219 CB VAL A 14 1.814 22.415 -10.795 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.643 23.435 -10.853 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.233 22.121 -9.340 1.00 0.00 C ATOM 0 H VAL A 14 3.440 20.544 -11.069 1.00 0.00 H new ATOM 0 HA VAL A 14 0.632 20.604 -11.038 1.00 0.00 H new ATOM 0 HB VAL A 14 2.656 22.879 -11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.925 24.343 -10.320 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.423 23.678 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.241 23.000 -10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.466 23.057 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.416 21.620 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.113 21.478 -9.338 1.00 0.00 H new ATOM 231 N LYS A 15 2.084 21.736 -13.828 1.00 0.00 N ATOM 232 CA LYS A 15 1.908 22.066 -15.255 1.00 0.00 C ATOM 233 C LYS A 15 1.277 20.903 -16.034 1.00 0.00 C ATOM 234 O LYS A 15 0.281 21.095 -16.726 1.00 0.00 O ATOM 235 CB LYS A 15 3.268 22.451 -15.898 1.00 0.00 C ATOM 236 CG LYS A 15 3.841 23.787 -15.396 1.00 0.00 C ATOM 237 CD LYS A 15 5.226 24.099 -15.993 1.00 0.00 C ATOM 238 CE LYS A 15 5.739 25.484 -15.584 1.00 0.00 C ATOM 239 NZ LYS A 15 7.115 25.730 -16.069 1.00 0.00 N ATOM 0 H LYS A 15 3.052 21.811 -13.514 1.00 0.00 H new ATOM 0 HA LYS A 15 1.230 22.917 -15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.990 21.659 -15.698 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.145 22.504 -16.980 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.151 24.592 -15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.916 23.761 -14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.938 23.340 -15.668 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.172 24.041 -17.080 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.072 26.249 -15.981 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.716 25.573 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.771 25.736 -15.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.389 24.977 -16.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.153 26.649 -16.554 1.00 0.00 H new ATOM 253 N LYS A 16 1.850 19.696 -15.888 1.00 0.00 N ATOM 254 CA LYS A 16 1.343 18.493 -16.575 1.00 0.00 C ATOM 255 C LYS A 16 -0.056 18.108 -16.058 1.00 0.00 C ATOM 256 O LYS A 16 -0.851 17.551 -16.795 1.00 0.00 O ATOM 257 CB LYS A 16 2.330 17.311 -16.434 1.00 0.00 C ATOM 258 CG LYS A 16 1.933 16.009 -17.190 1.00 0.00 C ATOM 259 CD LYS A 16 1.715 16.164 -18.727 1.00 0.00 C ATOM 260 CE LYS A 16 3.009 16.388 -19.541 1.00 0.00 C ATOM 261 NZ LYS A 16 3.552 17.756 -19.393 1.00 0.00 N ATOM 0 H LYS A 16 2.666 19.526 -15.300 1.00 0.00 H new ATOM 0 HA LYS A 16 1.255 18.729 -17.635 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.308 17.633 -16.791 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.439 17.076 -15.375 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.710 15.262 -17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.016 15.618 -16.748 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.216 15.270 -19.102 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.041 17.003 -18.902 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.762 15.667 -19.223 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.808 16.194 -20.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.948 18.072 -20.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.790 18.402 -19.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.300 17.756 -18.670 1.00 0.00 H new ATOM 275 N ALA A 17 -0.350 18.436 -14.796 1.00 0.00 N ATOM 276 CA ALA A 17 -1.691 18.236 -14.217 1.00 0.00 C ATOM 277 C ALA A 17 -2.692 19.275 -14.762 1.00 0.00 C ATOM 278 O ALA A 17 -3.885 18.997 -14.838 1.00 0.00 O ATOM 279 CB ALA A 17 -1.622 18.280 -12.695 1.00 0.00 C ATOM 0 H ALA A 17 0.325 18.844 -14.149 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.050 17.251 -14.514 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.619 18.131 -12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.959 17.492 -12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.238 19.249 -12.376 1.00 0.00 H new ATOM 285 N LEU A 18 -2.189 20.470 -15.145 1.00 0.00 N ATOM 286 CA LEU A 18 -3.004 21.503 -15.828 1.00 0.00 C ATOM 287 C LEU A 18 -3.291 21.070 -17.272 1.00 0.00 C ATOM 288 O LEU A 18 -4.337 21.400 -17.829 1.00 0.00 O ATOM 289 CB LEU A 18 -2.308 22.902 -15.851 1.00 0.00 C ATOM 290 CG LEU A 18 -1.894 23.506 -14.475 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.348 24.945 -14.624 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.048 23.436 -13.462 1.00 0.00 C ATOM 0 H LEU A 18 -1.219 20.745 -14.992 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.930 21.599 -15.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.415 22.826 -16.471 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.979 23.607 -16.343 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.081 22.896 -14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.070 25.332 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.472 24.936 -15.272 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.117 25.582 -15.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.726 23.865 -12.513 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.901 23.997 -13.843 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.336 22.396 -13.310 1.00 0.00 H new ATOM 304 N GLU A 19 -2.322 20.346 -17.868 1.00 0.00 N ATOM 305 CA GLU A 19 -2.404 19.855 -19.256 1.00 0.00 C ATOM 306 C GLU A 19 -3.371 18.669 -19.365 1.00 0.00 C ATOM 307 O GLU A 19 -4.234 18.662 -20.235 1.00 0.00 O ATOM 308 CB GLU A 19 -0.992 19.468 -19.776 1.00 0.00 C ATOM 309 CG GLU A 19 -0.005 20.659 -19.826 1.00 0.00 C ATOM 310 CD GLU A 19 1.437 20.267 -20.179 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.696 19.909 -21.349 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.321 20.306 -19.294 1.00 0.00 O ATOM 0 H GLU A 19 -1.456 20.085 -17.396 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.794 20.659 -19.881 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.578 18.690 -19.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.086 19.042 -20.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.363 21.382 -20.559 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.007 21.159 -18.857 1.00 0.00 H new ATOM 319 N ILE A 20 -3.219 17.681 -18.461 1.00 0.00 N ATOM 320 CA ILE A 20 -4.059 16.470 -18.445 1.00 0.00 C ATOM 321 C ILE A 20 -5.436 16.814 -17.851 1.00 0.00 C ATOM 322 O ILE A 20 -6.452 16.539 -18.466 1.00 0.00 O ATOM 323 CB ILE A 20 -3.398 15.267 -17.660 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.948 14.957 -18.174 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.281 13.992 -17.743 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.835 14.615 -19.655 1.00 0.00 C ATOM 0 H ILE A 20 -2.513 17.701 -17.725 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.169 16.134 -19.476 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.324 15.573 -16.617 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.316 15.822 -17.970 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.546 14.125 -17.595 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.802 13.181 -17.194 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.258 14.197 -17.307 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.403 13.701 -18.786 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.792 14.419 -19.905 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.433 13.729 -19.871 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.199 15.452 -20.251 1.00 0.00 H new ATOM 338 N GLY A 21 -5.445 17.448 -16.670 1.00 0.00 N ATOM 339 CA GLY A 21 -6.688 17.888 -16.021 1.00 0.00 C ATOM 340 C GLY A 21 -7.456 18.917 -16.852 1.00 0.00 C ATOM 341 O GLY A 21 -8.688 18.933 -16.842 1.00 0.00 O ATOM 0 H GLY A 21 -4.600 17.668 -16.142 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.326 17.022 -15.842 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.452 18.317 -15.047 1.00 0.00 H new ATOM 345 N GLY A 22 -6.709 19.765 -17.583 1.00 0.00 N ATOM 346 CA GLY A 22 -7.303 20.780 -18.457 1.00 0.00 C ATOM 347 C GLY A 22 -7.903 20.188 -19.731 1.00 0.00 C ATOM 348 O GLY A 22 -9.017 20.563 -20.118 1.00 0.00 O ATOM 0 H GLY A 22 -5.689 19.763 -17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.080 21.314 -17.910 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.541 21.512 -18.726 1.00 0.00 H new ATOM 352 N LYS A 23 -7.163 19.251 -20.385 1.00 0.00 N ATOM 353 CA LYS A 23 -7.639 18.598 -21.636 1.00 0.00 C ATOM 354 C LYS A 23 -8.835 17.682 -21.326 1.00 0.00 C ATOM 355 O LYS A 23 -9.761 17.586 -22.121 1.00 0.00 O ATOM 356 CB LYS A 23 -6.528 17.768 -22.358 1.00 0.00 C ATOM 357 CG LYS A 23 -6.071 16.500 -21.594 1.00 0.00 C ATOM 358 CD LYS A 23 -5.336 15.471 -22.464 1.00 0.00 C ATOM 359 CE LYS A 23 -5.035 14.172 -21.688 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.354 13.152 -22.520 1.00 0.00 N ATOM 0 H LYS A 23 -6.246 18.934 -20.071 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.934 19.400 -22.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.895 17.472 -23.341 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.662 18.410 -22.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.417 16.799 -20.775 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.944 16.024 -21.148 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.941 15.238 -23.340 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.403 15.902 -22.826 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.412 14.406 -20.825 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.968 13.758 -21.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.176 12.301 -21.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.958 12.906 -23.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.450 13.533 -22.865 1.00 0.00 H new ATOM 374 N MET A 24 -8.789 17.013 -20.153 1.00 0.00 N ATOM 375 CA MET A 24 -9.846 16.094 -19.720 1.00 0.00 C ATOM 376 C MET A 24 -11.113 16.879 -19.402 1.00 0.00 C ATOM 377 O MET A 24 -12.169 16.513 -19.876 1.00 0.00 O ATOM 378 CB MET A 24 -9.415 15.223 -18.514 1.00 0.00 C ATOM 379 CG MET A 24 -8.373 14.138 -18.842 1.00 0.00 C ATOM 380 SD MET A 24 -8.086 12.978 -17.477 1.00 0.00 S ATOM 381 CE MET A 24 -7.982 14.074 -16.054 1.00 0.00 C ATOM 0 H MET A 24 -8.020 17.099 -19.489 1.00 0.00 H new ATOM 0 HA MET A 24 -10.045 15.406 -20.542 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.010 15.874 -17.740 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.300 14.743 -18.096 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.703 13.581 -19.719 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.430 14.618 -19.105 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.651 13.509 -15.183 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.269 14.872 -16.261 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.963 14.506 -15.855 1.00 0.00 H new ATOM 391 N ALA A 25 -10.975 17.985 -18.633 1.00 0.00 N ATOM 392 CA ALA A 25 -12.095 18.907 -18.329 1.00 0.00 C ATOM 393 C ALA A 25 -12.751 19.391 -19.628 1.00 0.00 C ATOM 394 O ALA A 25 -13.975 19.332 -19.778 1.00 0.00 O ATOM 395 CB ALA A 25 -11.609 20.100 -17.478 1.00 0.00 C ATOM 0 H ALA A 25 -10.090 18.262 -18.208 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.841 18.366 -17.747 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.448 20.763 -17.268 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.193 19.732 -16.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.842 20.648 -18.025 1.00 0.00 H new ATOM 401 N LYS A 26 -11.891 19.788 -20.579 1.00 0.00 N ATOM 402 CA LYS A 26 -12.296 20.262 -21.905 1.00 0.00 C ATOM 403 C LYS A 26 -13.222 19.236 -22.584 1.00 0.00 C ATOM 404 O LYS A 26 -14.395 19.553 -22.868 1.00 0.00 O ATOM 405 CB LYS A 26 -11.039 20.539 -22.768 1.00 0.00 C ATOM 406 CG LYS A 26 -11.310 21.168 -24.153 1.00 0.00 C ATOM 407 CD LYS A 26 -10.026 21.301 -25.017 1.00 0.00 C ATOM 408 CE LYS A 26 -9.426 19.932 -25.408 1.00 0.00 C ATOM 409 NZ LYS A 26 -10.380 19.112 -26.208 1.00 0.00 N ATOM 0 H LYS A 26 -10.880 19.787 -20.443 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.854 21.192 -21.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.376 21.201 -22.211 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.505 19.600 -22.913 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.040 20.559 -24.687 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.755 22.154 -24.018 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.258 21.863 -25.922 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.281 21.876 -24.467 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.512 20.087 -25.981 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.148 19.387 -24.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.891 18.272 -26.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.172 18.813 -25.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.744 19.678 -27.001 1.00 0.00 H new ATOM 423 N MET A 27 -12.697 17.988 -22.722 1.00 0.00 N ATOM 424 CA MET A 27 -13.398 16.852 -23.367 1.00 0.00 C ATOM 425 C MET A 27 -14.713 16.490 -22.643 1.00 0.00 C ATOM 426 O MET A 27 -15.722 16.208 -23.296 1.00 0.00 O ATOM 427 CB MET A 27 -12.481 15.595 -23.433 1.00 0.00 C ATOM 428 CG MET A 27 -11.227 15.766 -24.304 1.00 0.00 C ATOM 429 SD MET A 27 -10.217 14.269 -24.429 1.00 0.00 S ATOM 430 CE MET A 27 -9.819 13.911 -22.713 1.00 0.00 C ATOM 0 H MET A 27 -11.766 17.744 -22.384 1.00 0.00 H new ATOM 0 HA MET A 27 -13.645 17.175 -24.378 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.172 15.333 -22.421 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.062 14.756 -23.816 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.530 16.074 -25.305 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.618 16.571 -23.894 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.309 12.949 -22.651 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.169 14.692 -22.320 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.737 13.874 -22.127 1.00 0.00 H new ATOM 440 N GLN A 28 -14.684 16.510 -21.292 1.00 0.00 N ATOM 441 CA GLN A 28 -15.859 16.206 -20.439 1.00 0.00 C ATOM 442 C GLN A 28 -16.966 17.266 -20.645 1.00 0.00 C ATOM 443 O GLN A 28 -18.148 17.002 -20.406 1.00 0.00 O ATOM 444 CB GLN A 28 -15.446 16.117 -18.936 1.00 0.00 C ATOM 445 CG GLN A 28 -14.463 14.974 -18.592 1.00 0.00 C ATOM 446 CD GLN A 28 -15.029 13.576 -18.841 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.636 12.976 -17.962 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.848 13.047 -20.049 1.00 0.00 N ATOM 0 H GLN A 28 -13.844 16.738 -20.759 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.256 15.235 -20.735 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.994 17.065 -18.643 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.347 15.994 -18.335 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.555 15.098 -19.182 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.176 15.058 -17.544 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.339 13.568 -20.763 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.219 12.121 -20.261 1.00 0.00 H new ATOM 457 N GLY A 29 -16.554 18.465 -21.084 1.00 0.00 N ATOM 458 CA GLY A 29 -17.480 19.512 -21.527 1.00 0.00 C ATOM 459 C GLY A 29 -17.329 20.768 -20.713 1.00 0.00 C ATOM 460 O GLY A 29 -18.322 21.346 -20.245 1.00 0.00 O ATOM 0 H GLY A 29 -15.572 18.733 -21.141 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.300 19.736 -22.579 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.505 19.149 -21.449 1.00 0.00 H new ATOM 464 N PHE A 30 -16.066 21.205 -20.540 1.00 0.00 N ATOM 465 CA PHE A 30 -15.734 22.365 -19.670 1.00 0.00 C ATOM 466 C PHE A 30 -14.668 23.242 -20.339 1.00 0.00 C ATOM 467 O PHE A 30 -13.976 22.799 -21.243 1.00 0.00 O ATOM 468 CB PHE A 30 -15.216 21.888 -18.275 1.00 0.00 C ATOM 469 CG PHE A 30 -16.204 21.046 -17.460 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.208 21.653 -16.705 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.127 19.649 -17.439 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.096 20.899 -15.963 1.00 0.00 C ATOM 473 CE2 PHE A 30 -17.016 18.896 -16.697 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.002 19.522 -15.959 1.00 0.00 C ATOM 0 H PHE A 30 -15.256 20.777 -20.988 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.644 22.947 -19.525 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.306 21.307 -18.424 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.942 22.765 -17.689 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.292 22.730 -16.701 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.359 19.151 -18.013 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.866 21.388 -15.385 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.940 17.819 -16.694 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.699 18.934 -15.379 1.00 0.00 H new ATOM 484 N ASP A 31 -14.555 24.495 -19.884 1.00 0.00 N ATOM 485 CA ASP A 31 -13.442 25.392 -20.237 1.00 0.00 C ATOM 486 C ASP A 31 -13.106 26.228 -18.990 1.00 0.00 C ATOM 487 O ASP A 31 -13.904 27.057 -18.537 1.00 0.00 O ATOM 488 CB ASP A 31 -13.759 26.267 -21.496 1.00 0.00 C ATOM 489 CG ASP A 31 -14.940 27.245 -21.338 1.00 0.00 C ATOM 490 OD1 ASP A 31 -16.105 26.789 -21.327 1.00 0.00 O ATOM 491 OD2 ASP A 31 -14.707 28.474 -21.251 1.00 0.00 O ATOM 0 H ASP A 31 -15.237 24.921 -19.256 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.568 24.809 -20.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.868 26.838 -21.755 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.967 25.604 -22.336 1.00 0.00 H new ATOM 496 N LEU A 32 -11.951 25.919 -18.386 1.00 0.00 N ATOM 497 CA LEU A 32 -11.494 26.543 -17.137 1.00 0.00 C ATOM 498 C LEU A 32 -10.898 27.945 -17.435 1.00 0.00 C ATOM 499 O LEU A 32 -10.313 28.134 -18.511 1.00 0.00 O ATOM 500 CB LEU A 32 -10.457 25.604 -16.449 1.00 0.00 C ATOM 501 CG LEU A 32 -10.954 24.134 -16.177 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.826 23.244 -15.609 1.00 0.00 C ATOM 503 CD2 LEU A 32 -12.207 24.121 -15.256 1.00 0.00 C ATOM 0 H LEU A 32 -11.302 25.223 -18.753 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.332 26.684 -16.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.564 25.558 -17.072 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.161 26.051 -15.500 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.246 23.709 -17.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.209 22.238 -15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.003 23.201 -16.322 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.470 23.664 -14.669 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.524 23.092 -15.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.961 24.585 -14.301 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.015 24.677 -15.733 1.00 0.00 H new ATOM 515 N PRO A 33 -11.048 28.951 -16.505 1.00 0.00 N ATOM 516 CA PRO A 33 -10.500 30.316 -16.710 1.00 0.00 C ATOM 517 C PRO A 33 -8.951 30.304 -16.778 1.00 0.00 C ATOM 518 O PRO A 33 -8.278 29.909 -15.822 1.00 0.00 O ATOM 519 CB PRO A 33 -11.032 31.112 -15.486 1.00 0.00 C ATOM 520 CG PRO A 33 -11.296 30.072 -14.442 1.00 0.00 C ATOM 521 CD PRO A 33 -11.763 28.846 -15.200 1.00 0.00 C ATOM 0 HA PRO A 33 -10.809 30.761 -17.656 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.301 31.843 -15.141 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.939 31.662 -15.735 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.396 29.858 -13.865 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.055 30.409 -13.735 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.506 27.927 -14.674 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.845 28.845 -15.334 1.00 0.00 H new ATOM 529 N GLN A 34 -8.412 30.683 -17.945 1.00 0.00 N ATOM 530 CA GLN A 34 -6.960 30.658 -18.224 1.00 0.00 C ATOM 531 C GLN A 34 -6.323 32.059 -18.097 1.00 0.00 C ATOM 532 O GLN A 34 -5.089 32.180 -18.143 1.00 0.00 O ATOM 533 CB GLN A 34 -6.714 30.086 -19.654 1.00 0.00 C ATOM 534 CG GLN A 34 -7.344 28.698 -19.939 1.00 0.00 C ATOM 535 CD GLN A 34 -6.822 27.563 -19.044 1.00 0.00 C ATOM 536 OE1 GLN A 34 -5.844 26.891 -19.372 1.00 0.00 O ATOM 537 NE2 GLN A 34 -7.468 27.334 -17.903 1.00 0.00 N ATOM 0 H GLN A 34 -8.970 31.018 -18.730 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.486 30.017 -17.481 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.103 30.798 -20.382 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.639 30.017 -19.818 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.425 28.772 -19.817 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.158 28.436 -20.981 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.276 27.903 -17.651 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.155 26.589 -17.280 1.00 0.00 H new ATOM 546 N SER A 35 -7.164 33.098 -17.901 1.00 0.00 N ATOM 547 CA SER A 35 -6.743 34.512 -18.036 1.00 0.00 C ATOM 548 C SER A 35 -5.709 34.975 -16.947 1.00 0.00 C ATOM 549 O SER A 35 -4.569 35.302 -17.320 1.00 0.00 O ATOM 550 CB SER A 35 -7.977 35.445 -18.105 1.00 0.00 C ATOM 551 OG SER A 35 -8.861 35.051 -19.147 1.00 0.00 O ATOM 0 H SER A 35 -8.145 32.983 -17.647 1.00 0.00 H new ATOM 0 HA SER A 35 -6.203 34.585 -18.980 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.504 35.427 -17.151 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.651 36.472 -18.270 1.00 0.00 H new ATOM 0 HG SER A 35 -9.632 35.655 -19.168 1.00 0.00 H new ATOM 557 N PRO A 36 -6.026 35.011 -15.597 1.00 0.00 N ATOM 558 CA PRO A 36 -5.061 35.537 -14.595 1.00 0.00 C ATOM 559 C PRO A 36 -3.904 34.552 -14.295 1.00 0.00 C ATOM 560 O PRO A 36 -2.830 34.998 -13.884 1.00 0.00 O ATOM 561 CB PRO A 36 -5.944 35.800 -13.358 1.00 0.00 C ATOM 562 CG PRO A 36 -7.010 34.763 -13.447 1.00 0.00 C ATOM 563 CD PRO A 36 -7.290 34.567 -14.934 1.00 0.00 C ATOM 0 HA PRO A 36 -4.544 36.430 -14.946 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.374 35.707 -12.434 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.364 36.806 -13.374 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.685 33.830 -12.986 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.909 35.083 -12.920 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.518 33.526 -15.164 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.143 35.160 -15.262 1.00 0.00 H new ATOM 571 N GLN A 37 -4.174 33.218 -14.486 1.00 0.00 N ATOM 572 CA GLN A 37 -3.200 32.068 -14.420 1.00 0.00 C ATOM 573 C GLN A 37 -3.278 31.198 -13.111 1.00 0.00 C ATOM 574 O GLN A 37 -3.475 29.982 -13.234 1.00 0.00 O ATOM 575 CB GLN A 37 -1.721 32.434 -14.786 1.00 0.00 C ATOM 576 CG GLN A 37 -1.516 32.960 -16.224 1.00 0.00 C ATOM 577 CD GLN A 37 -0.100 33.468 -16.492 1.00 0.00 C ATOM 578 OE1 GLN A 37 0.582 33.966 -15.587 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.357 33.360 -17.728 1.00 0.00 N ATOM 0 H GLN A 37 -5.119 32.899 -14.700 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.560 31.426 -15.224 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.365 33.189 -14.085 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.098 31.550 -14.646 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.747 32.163 -16.930 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.224 33.767 -16.412 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.228 32.945 -18.454 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.294 33.692 -17.956 1.00 0.00 H new ATOM 588 N PRO A 38 -3.114 31.740 -11.834 1.00 0.00 N ATOM 589 CA PRO A 38 -3.197 30.902 -10.592 1.00 0.00 C ATOM 590 C PRO A 38 -4.538 30.137 -10.439 1.00 0.00 C ATOM 591 O PRO A 38 -4.582 29.045 -9.858 1.00 0.00 O ATOM 592 CB PRO A 38 -3.010 31.921 -9.444 1.00 0.00 C ATOM 593 CG PRO A 38 -2.275 33.063 -10.066 1.00 0.00 C ATOM 594 CD PRO A 38 -2.777 33.143 -11.486 1.00 0.00 C ATOM 0 HA PRO A 38 -2.446 30.112 -10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.970 32.242 -9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.444 31.488 -8.619 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.467 33.992 -9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.198 32.897 -10.040 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.649 33.793 -11.564 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.017 33.547 -12.155 1.00 0.00 H new ATOM 602 N VAL A 39 -5.612 30.725 -10.987 1.00 0.00 N ATOM 603 CA VAL A 39 -6.970 30.156 -10.927 1.00 0.00 C ATOM 604 C VAL A 39 -7.081 28.839 -11.723 1.00 0.00 C ATOM 605 O VAL A 39 -7.954 28.033 -11.432 1.00 0.00 O ATOM 606 CB VAL A 39 -8.049 31.167 -11.449 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.986 32.498 -10.661 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.924 31.396 -12.977 1.00 0.00 C ATOM 0 H VAL A 39 -5.564 31.613 -11.487 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.161 29.946 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.031 30.727 -11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.744 33.182 -11.042 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.170 32.304 -9.604 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.000 32.946 -10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.688 32.102 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.937 31.798 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.059 30.449 -13.499 1.00 0.00 H new ATOM 618 N ARG A 40 -6.191 28.657 -12.733 1.00 0.00 N ATOM 619 CA ARG A 40 -6.126 27.424 -13.555 1.00 0.00 C ATOM 620 C ARG A 40 -5.837 26.219 -12.659 1.00 0.00 C ATOM 621 O ARG A 40 -6.487 25.188 -12.764 1.00 0.00 O ATOM 622 CB ARG A 40 -5.004 27.522 -14.628 1.00 0.00 C ATOM 623 CG ARG A 40 -5.185 28.660 -15.650 1.00 0.00 C ATOM 624 CD ARG A 40 -3.980 28.810 -16.599 1.00 0.00 C ATOM 625 NE ARG A 40 -3.681 27.559 -17.317 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.844 27.441 -18.357 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.239 28.505 -18.871 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.636 26.245 -18.887 1.00 0.00 N ATOM 0 H ARG A 40 -5.501 29.360 -12.998 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.087 27.306 -14.055 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.048 27.656 -14.122 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.951 26.575 -15.165 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.084 28.474 -16.238 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.341 29.598 -15.118 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.183 29.602 -17.320 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.105 29.117 -16.027 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.150 26.712 -16.996 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.408 29.429 -18.474 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.605 28.398 -19.663 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.110 25.428 -18.503 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.001 26.141 -19.679 1.00 0.00 H new ATOM 642 N VAL A 41 -4.864 26.414 -11.759 1.00 0.00 N ATOM 643 CA VAL A 41 -4.392 25.395 -10.809 1.00 0.00 C ATOM 644 C VAL A 41 -5.546 24.928 -9.895 1.00 0.00 C ATOM 645 O VAL A 41 -5.810 23.720 -9.758 1.00 0.00 O ATOM 646 CB VAL A 41 -3.179 25.969 -9.971 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.679 24.971 -8.909 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.019 26.398 -10.910 1.00 0.00 C ATOM 0 H VAL A 41 -4.372 27.303 -11.668 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.043 24.522 -11.360 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.544 26.847 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.846 25.411 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.489 24.740 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.348 24.055 -9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.195 26.790 -10.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.676 25.536 -11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.371 27.170 -11.594 1.00 0.00 H new ATOM 658 N LYS A 42 -6.264 25.912 -9.341 1.00 0.00 N ATOM 659 CA LYS A 42 -7.371 25.680 -8.399 1.00 0.00 C ATOM 660 C LYS A 42 -8.600 25.083 -9.142 1.00 0.00 C ATOM 661 O LYS A 42 -9.308 24.238 -8.593 1.00 0.00 O ATOM 662 CB LYS A 42 -7.695 27.022 -7.654 1.00 0.00 C ATOM 663 CG LYS A 42 -8.400 26.894 -6.268 1.00 0.00 C ATOM 664 CD LYS A 42 -9.915 26.572 -6.341 1.00 0.00 C ATOM 665 CE LYS A 42 -10.712 27.623 -7.140 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.590 28.986 -6.564 1.00 0.00 N ATOM 0 H LYS A 42 -6.094 26.899 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.085 24.944 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.762 27.568 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.326 27.629 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.903 26.112 -5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.266 27.827 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.052 25.593 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.317 26.509 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.360 27.635 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.763 27.335 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.183 29.646 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.903 28.973 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.598 29.295 -6.610 1.00 0.00 H new ATOM 680 N ALA A 43 -8.801 25.507 -10.399 1.00 0.00 N ATOM 681 CA ALA A 43 -9.929 25.054 -11.251 1.00 0.00 C ATOM 682 C ALA A 43 -9.756 23.582 -11.674 1.00 0.00 C ATOM 683 O ALA A 43 -10.725 22.804 -11.675 1.00 0.00 O ATOM 684 CB ALA A 43 -10.057 25.953 -12.491 1.00 0.00 C ATOM 0 H ALA A 43 -8.187 26.177 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.844 25.129 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.888 25.608 -13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.239 26.981 -12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.134 25.908 -13.070 1.00 0.00 H new ATOM 690 N VAL A 44 -8.511 23.223 -12.039 1.00 0.00 N ATOM 691 CA VAL A 44 -8.126 21.839 -12.381 1.00 0.00 C ATOM 692 C VAL A 44 -8.336 20.934 -11.165 1.00 0.00 C ATOM 693 O VAL A 44 -8.895 19.852 -11.297 1.00 0.00 O ATOM 694 CB VAL A 44 -6.630 21.749 -12.886 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.124 20.288 -12.963 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.474 22.437 -14.263 1.00 0.00 C ATOM 0 H VAL A 44 -7.740 23.887 -12.106 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.761 21.504 -13.201 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.017 22.272 -12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.092 20.278 -13.315 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.174 19.833 -11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.748 19.723 -13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.437 22.363 -14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.121 21.946 -14.990 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.754 23.487 -14.179 1.00 0.00 H new ATOM 706 N TYR A 45 -7.905 21.419 -9.989 1.00 0.00 N ATOM 707 CA TYR A 45 -8.121 20.747 -8.701 1.00 0.00 C ATOM 708 C TYR A 45 -9.614 20.412 -8.477 1.00 0.00 C ATOM 709 O TYR A 45 -9.943 19.264 -8.169 1.00 0.00 O ATOM 710 CB TYR A 45 -7.568 21.643 -7.565 1.00 0.00 C ATOM 711 CG TYR A 45 -8.065 21.315 -6.157 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.489 20.295 -5.394 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.123 22.034 -5.589 1.00 0.00 C ATOM 714 CE1 TYR A 45 -7.954 20.008 -4.127 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.581 21.751 -4.331 1.00 0.00 C ATOM 716 CZ TYR A 45 -8.999 20.742 -3.606 1.00 0.00 C ATOM 717 OH TYR A 45 -9.472 20.469 -2.355 1.00 0.00 O ATOM 0 H TYR A 45 -7.392 22.297 -9.907 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.586 19.797 -8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.480 21.575 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.824 22.679 -7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.668 19.724 -5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.587 22.828 -6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.503 19.215 -3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.397 22.320 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.447 20.378 -2.387 1.00 0.00 H new ATOM 727 N LEU A 46 -10.495 21.428 -8.646 1.00 0.00 N ATOM 728 CA LEU A 46 -11.961 21.267 -8.462 1.00 0.00 C ATOM 729 C LEU A 46 -12.511 20.184 -9.404 1.00 0.00 C ATOM 730 O LEU A 46 -13.315 19.336 -8.990 1.00 0.00 O ATOM 731 CB LEU A 46 -12.711 22.608 -8.704 1.00 0.00 C ATOM 732 CG LEU A 46 -12.363 23.777 -7.732 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.173 25.043 -8.077 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.548 23.369 -6.248 1.00 0.00 C ATOM 0 H LEU A 46 -10.215 22.373 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.130 20.959 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.505 22.937 -9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.782 22.418 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.307 24.010 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.911 25.843 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.943 25.356 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.238 24.827 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.295 24.212 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.585 23.080 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.894 22.528 -6.018 1.00 0.00 H new ATOM 746 N PHE A 47 -12.026 20.209 -10.658 1.00 0.00 N ATOM 747 CA PHE A 47 -12.371 19.202 -11.670 1.00 0.00 C ATOM 748 C PHE A 47 -11.946 17.796 -11.203 1.00 0.00 C ATOM 749 O PHE A 47 -12.750 16.883 -11.231 1.00 0.00 O ATOM 750 CB PHE A 47 -11.725 19.550 -13.049 1.00 0.00 C ATOM 751 CG PHE A 47 -11.699 18.377 -14.039 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.882 17.843 -14.565 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.494 17.779 -14.401 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.850 16.755 -15.418 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.464 16.702 -15.256 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.642 16.182 -15.762 1.00 0.00 C ATOM 0 H PHE A 47 -11.385 20.927 -10.995 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.453 19.206 -11.798 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.274 20.378 -13.497 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.705 19.896 -12.884 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.831 18.286 -14.301 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.568 18.168 -14.004 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.770 16.353 -15.815 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.518 16.261 -15.533 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.617 15.330 -16.425 1.00 0.00 H new ATOM 766 N LEU A 48 -10.681 17.651 -10.781 1.00 0.00 N ATOM 767 CA LEU A 48 -10.094 16.353 -10.397 1.00 0.00 C ATOM 768 C LEU A 48 -10.805 15.731 -9.172 1.00 0.00 C ATOM 769 O LEU A 48 -10.993 14.521 -9.117 1.00 0.00 O ATOM 770 CB LEU A 48 -8.575 16.490 -10.116 1.00 0.00 C ATOM 771 CG LEU A 48 -7.662 16.927 -11.311 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.184 16.947 -10.885 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.865 16.046 -12.564 1.00 0.00 C ATOM 0 H LEU A 48 -10.031 18.433 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.239 15.681 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.444 17.212 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.212 15.531 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.960 17.938 -11.588 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.566 17.253 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.051 17.652 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.886 15.950 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.208 16.392 -13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.628 15.010 -12.323 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.902 16.114 -12.892 1.00 0.00 H new ATOM 785 N VAL A 49 -11.202 16.568 -8.200 1.00 0.00 N ATOM 786 CA VAL A 49 -11.929 16.105 -6.998 1.00 0.00 C ATOM 787 C VAL A 49 -13.349 15.624 -7.390 1.00 0.00 C ATOM 788 O VAL A 49 -13.820 14.577 -6.922 1.00 0.00 O ATOM 789 CB VAL A 49 -12.011 17.223 -5.885 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.838 16.748 -4.663 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.596 17.676 -5.446 1.00 0.00 C ATOM 0 H VAL A 49 -11.033 17.574 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.369 15.271 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.524 18.080 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.874 17.542 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.851 16.504 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.371 15.863 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.682 18.446 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.049 16.823 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.060 18.078 -6.306 1.00 0.00 H new ATOM 801 N ASP A 50 -13.997 16.395 -8.290 1.00 0.00 N ATOM 802 CA ASP A 50 -15.334 16.069 -8.845 1.00 0.00 C ATOM 803 C ASP A 50 -15.278 14.786 -9.701 1.00 0.00 C ATOM 804 O ASP A 50 -16.176 13.939 -9.645 1.00 0.00 O ATOM 805 CB ASP A 50 -15.852 17.264 -9.700 1.00 0.00 C ATOM 806 CG ASP A 50 -17.242 17.026 -10.336 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.244 16.990 -9.589 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.339 16.876 -11.577 1.00 0.00 O ATOM 0 H ASP A 50 -13.608 17.265 -8.655 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.021 15.893 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.899 18.154 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.132 17.470 -10.492 1.00 0.00 H new ATOM 813 N ALA A 51 -14.173 14.643 -10.443 1.00 0.00 N ATOM 814 CA ALA A 51 -13.950 13.551 -11.402 1.00 0.00 C ATOM 815 C ALA A 51 -13.306 12.328 -10.715 1.00 0.00 C ATOM 816 O ALA A 51 -12.897 11.378 -11.399 1.00 0.00 O ATOM 817 CB ALA A 51 -13.070 14.070 -12.557 1.00 0.00 C ATOM 0 H ALA A 51 -13.392 15.297 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.909 13.222 -11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.899 13.267 -13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.574 14.899 -13.054 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.114 14.412 -12.161 1.00 0.00 H new ATOM 823 N LYS A 52 -13.191 12.385 -9.359 1.00 0.00 N ATOM 824 CA LYS A 52 -12.739 11.256 -8.500 1.00 0.00 C ATOM 825 C LYS A 52 -11.277 10.844 -8.788 1.00 0.00 C ATOM 826 O LYS A 52 -10.860 9.722 -8.491 1.00 0.00 O ATOM 827 CB LYS A 52 -13.723 10.050 -8.620 1.00 0.00 C ATOM 828 CG LYS A 52 -15.200 10.410 -8.321 1.00 0.00 C ATOM 829 CD LYS A 52 -15.386 11.031 -6.919 1.00 0.00 C ATOM 830 CE LYS A 52 -16.838 11.437 -6.632 1.00 0.00 C ATOM 831 NZ LYS A 52 -16.996 11.936 -5.245 1.00 0.00 N ATOM 0 H LYS A 52 -13.412 13.226 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.753 11.601 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.657 9.639 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.405 9.265 -7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.560 11.110 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.813 9.512 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.058 10.316 -6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.744 11.907 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.147 12.210 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.495 10.581 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.988 12.202 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.724 11.189 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.387 12.767 -5.104 1.00 0.00 H new ATOM 845 N GLN A 53 -10.516 11.789 -9.357 1.00 0.00 N ATOM 846 CA GLN A 53 -9.079 11.651 -9.620 1.00 0.00 C ATOM 847 C GLN A 53 -8.284 11.788 -8.308 1.00 0.00 C ATOM 848 O GLN A 53 -7.322 11.055 -8.069 1.00 0.00 O ATOM 849 CB GLN A 53 -8.636 12.741 -10.632 1.00 0.00 C ATOM 850 CG GLN A 53 -9.429 12.749 -11.956 1.00 0.00 C ATOM 851 CD GLN A 53 -9.254 11.489 -12.804 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.199 10.849 -12.786 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.288 11.115 -13.540 1.00 0.00 N ATOM 0 H GLN A 53 -10.892 12.690 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.881 10.666 -10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.734 13.718 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.579 12.600 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.488 12.876 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.122 13.614 -12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.146 11.667 -13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.227 10.275 -14.115 1.00 0.00 H new ATOM 862 N ILE A 54 -8.713 12.754 -7.464 1.00 0.00 N ATOM 863 CA ILE A 54 -8.134 13.003 -6.122 1.00 0.00 C ATOM 864 C ILE A 54 -9.255 13.269 -5.099 1.00 0.00 C ATOM 865 O ILE A 54 -10.413 13.504 -5.466 1.00 0.00 O ATOM 866 CB ILE A 54 -7.127 14.232 -6.095 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.802 15.517 -6.680 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.814 13.900 -6.826 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.939 16.771 -6.674 1.00 0.00 C ATOM 0 H ILE A 54 -9.477 13.388 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.574 12.104 -5.863 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.872 14.434 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.106 15.311 -7.706 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.710 15.719 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.148 14.762 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.333 13.049 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.029 13.653 -7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.501 17.602 -7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.655 17.012 -5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.042 16.598 -7.268 1.00 0.00 H new ATOM 881 N ALA A 55 -8.873 13.216 -3.814 1.00 0.00 N ATOM 882 CA ALA A 55 -9.712 13.630 -2.681 1.00 0.00 C ATOM 883 C ALA A 55 -9.430 15.125 -2.379 1.00 0.00 C ATOM 884 O ALA A 55 -8.337 15.618 -2.705 1.00 0.00 O ATOM 885 CB ALA A 55 -9.413 12.735 -1.456 1.00 0.00 C ATOM 0 H ALA A 55 -7.954 12.877 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.769 13.515 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.037 13.045 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.628 11.696 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.363 12.833 -1.182 1.00 0.00 H new ATOM 891 N PRO A 56 -10.398 15.881 -1.762 1.00 0.00 N ATOM 892 CA PRO A 56 -10.222 17.329 -1.494 1.00 0.00 C ATOM 893 C PRO A 56 -9.242 17.625 -0.338 1.00 0.00 C ATOM 894 O PRO A 56 -8.649 16.721 0.256 1.00 0.00 O ATOM 895 CB PRO A 56 -11.660 17.790 -1.146 1.00 0.00 C ATOM 896 CG PRO A 56 -12.284 16.583 -0.517 1.00 0.00 C ATOM 897 CD PRO A 56 -11.734 15.400 -1.285 1.00 0.00 C ATOM 0 HA PRO A 56 -9.781 17.851 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.653 18.638 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.205 18.103 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.031 16.516 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.371 16.623 -0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.640 14.519 -0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.382 15.126 -2.117 1.00 0.00 H new ATOM 905 N LEU A 57 -9.076 18.918 -0.069 1.00 0.00 N ATOM 906 CA LEU A 57 -8.292 19.457 1.046 1.00 0.00 C ATOM 907 C LEU A 57 -9.257 20.022 2.108 1.00 0.00 C ATOM 908 O LEU A 57 -10.418 20.319 1.784 1.00 0.00 O ATOM 909 CB LEU A 57 -7.366 20.588 0.515 1.00 0.00 C ATOM 910 CG LEU A 57 -6.242 20.135 -0.468 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.577 21.341 -1.163 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.195 19.262 0.265 1.00 0.00 C ATOM 0 H LEU A 57 -9.499 19.649 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.681 18.673 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.984 21.333 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.900 21.082 1.368 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.704 19.529 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.799 20.987 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.327 21.894 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.134 21.995 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.420 18.956 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.745 19.837 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.682 18.377 0.675 1.00 0.00 H new ATOM 924 N PRO A 58 -8.816 20.160 3.401 1.00 0.00 N ATOM 925 CA PRO A 58 -9.560 20.957 4.404 1.00 0.00 C ATOM 926 C PRO A 58 -9.516 22.461 4.057 1.00 0.00 C ATOM 927 O PRO A 58 -8.629 22.905 3.318 1.00 0.00 O ATOM 928 CB PRO A 58 -8.822 20.644 5.730 1.00 0.00 C ATOM 929 CG PRO A 58 -7.442 20.250 5.310 1.00 0.00 C ATOM 930 CD PRO A 58 -7.604 19.528 3.991 1.00 0.00 C ATOM 0 HA PRO A 58 -10.621 20.711 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.803 21.513 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.314 19.840 6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.802 21.125 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.976 19.605 6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.731 19.658 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.738 18.456 4.133 1.00 0.00 H new ATOM 938 N ASP A 59 -10.469 23.226 4.613 1.00 0.00 N ATOM 939 CA ASP A 59 -10.627 24.671 4.330 1.00 0.00 C ATOM 940 C ASP A 59 -9.354 25.457 4.698 1.00 0.00 C ATOM 941 O ASP A 59 -8.985 26.409 4.009 1.00 0.00 O ATOM 942 CB ASP A 59 -11.861 25.223 5.096 1.00 0.00 C ATOM 943 CG ASP A 59 -12.150 26.715 4.835 1.00 0.00 C ATOM 944 OD1 ASP A 59 -12.598 27.058 3.720 1.00 0.00 O ATOM 945 OD2 ASP A 59 -11.933 27.554 5.740 1.00 0.00 O ATOM 0 H ASP A 59 -11.156 22.864 5.274 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.788 24.799 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.739 24.640 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.707 25.076 6.165 1.00 0.00 H new ATOM 950 N SER A 60 -8.679 25.011 5.774 1.00 0.00 N ATOM 951 CA SER A 60 -7.402 25.582 6.233 1.00 0.00 C ATOM 952 C SER A 60 -6.300 25.423 5.156 1.00 0.00 C ATOM 953 O SER A 60 -5.542 26.360 4.884 1.00 0.00 O ATOM 954 CB SER A 60 -6.972 24.896 7.547 1.00 0.00 C ATOM 955 OG SER A 60 -7.973 25.017 8.547 1.00 0.00 O ATOM 0 H SER A 60 -9.008 24.238 6.353 1.00 0.00 H new ATOM 0 HA SER A 60 -7.542 26.648 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.769 23.842 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.043 25.341 7.904 1.00 0.00 H new ATOM 0 HG SER A 60 -7.672 24.571 9.366 1.00 0.00 H new ATOM 961 N LYS A 61 -6.239 24.225 4.535 1.00 0.00 N ATOM 962 CA LYS A 61 -5.214 23.880 3.525 1.00 0.00 C ATOM 963 C LYS A 61 -5.739 24.104 2.105 1.00 0.00 C ATOM 964 O LYS A 61 -5.124 23.666 1.137 1.00 0.00 O ATOM 965 CB LYS A 61 -4.729 22.405 3.692 1.00 0.00 C ATOM 966 CG LYS A 61 -3.775 22.175 4.890 1.00 0.00 C ATOM 967 CD LYS A 61 -4.445 22.372 6.271 1.00 0.00 C ATOM 968 CE LYS A 61 -3.437 22.367 7.419 1.00 0.00 C ATOM 969 NZ LYS A 61 -4.098 22.492 8.742 1.00 0.00 N ATOM 0 H LYS A 61 -6.899 23.470 4.720 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.364 24.542 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.600 21.760 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.224 22.096 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.373 21.163 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.930 22.859 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.990 23.316 6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.177 21.581 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.858 21.444 7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.733 23.189 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.378 22.484 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.629 23.385 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.751 21.694 8.881 1.00 0.00 H new ATOM 983 N LEU A 62 -6.875 24.802 1.978 1.00 0.00 N ATOM 984 CA LEU A 62 -7.381 25.234 0.661 1.00 0.00 C ATOM 985 C LEU A 62 -6.634 26.527 0.287 1.00 0.00 C ATOM 986 O LEU A 62 -7.134 27.641 0.470 1.00 0.00 O ATOM 987 CB LEU A 62 -8.944 25.409 0.668 1.00 0.00 C ATOM 988 CG LEU A 62 -9.702 24.924 -0.618 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.238 25.668 -1.891 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.571 23.396 -0.778 1.00 0.00 C ATOM 0 H LEU A 62 -7.461 25.080 2.765 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.190 24.473 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.345 24.869 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.170 26.464 0.821 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.756 25.168 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.793 25.296 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.421 26.736 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.172 25.497 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.102 23.077 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.518 23.128 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.000 22.901 0.093 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.393 26.325 -0.162 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.429 27.376 -0.517 1.00 0.00 C ATOM 1004 C ASP A 63 -3.654 26.908 -1.748 1.00 0.00 C ATOM 1005 O ASP A 63 -3.362 25.723 -1.852 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.474 27.634 0.681 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.211 28.446 0.320 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.264 29.693 0.309 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.165 27.828 0.009 1.00 0.00 O ATOM 0 H ASP A 63 -5.014 25.387 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.939 28.312 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.022 28.163 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.168 26.676 1.101 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.283 27.860 -2.626 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.689 27.583 -3.941 1.00 0.00 C ATOM 1016 C GLY A 64 -1.491 26.639 -3.919 1.00 0.00 C ATOM 1017 O GLY A 64 -1.359 25.804 -4.809 1.00 0.00 O ATOM 0 H GLY A 64 -3.391 28.856 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.456 27.158 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.381 28.527 -4.390 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.640 26.748 -2.885 1.00 0.00 N ATOM 1022 CA ALA A 65 0.555 25.885 -2.734 1.00 0.00 C ATOM 1023 C ALA A 65 0.148 24.422 -2.443 1.00 0.00 C ATOM 1024 O ALA A 65 0.765 23.480 -2.952 1.00 0.00 O ATOM 1025 CB ALA A 65 1.463 26.440 -1.623 1.00 0.00 C ATOM 0 H ALA A 65 -0.755 27.429 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 65 1.111 25.889 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.340 25.801 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.779 27.450 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.914 26.462 -0.682 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.908 24.254 -1.627 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.462 22.927 -1.254 1.00 0.00 C ATOM 1033 C ASN A 66 -2.265 22.309 -2.418 1.00 0.00 C ATOM 1034 O ASN A 66 -2.342 21.076 -2.555 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.366 23.056 -0.011 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.631 23.592 1.217 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.128 22.826 2.036 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.529 24.909 1.340 1.00 0.00 N ATOM 0 H ASN A 66 -1.408 25.035 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.624 22.268 -1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.200 23.717 -0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.789 22.080 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.023 25.310 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.957 25.521 0.645 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.888 23.188 -3.225 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.582 22.809 -4.463 1.00 0.00 C ATOM 1047 C ILE A 67 -2.571 22.201 -5.461 1.00 0.00 C ATOM 1048 O ILE A 67 -2.797 21.118 -6.011 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.293 24.058 -5.116 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.350 24.700 -4.152 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.936 23.681 -6.459 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.533 23.819 -3.827 1.00 0.00 C ATOM 0 H ILE A 67 -2.922 24.189 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.345 22.070 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.524 24.809 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.853 24.973 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.716 25.623 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.420 24.558 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.167 23.319 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.678 22.899 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.208 24.349 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.061 23.566 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.185 22.905 -3.345 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.442 22.919 -5.646 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.313 22.490 -6.499 1.00 0.00 C ATOM 1066 C LYS A 68 0.234 21.123 -6.047 1.00 0.00 C ATOM 1067 O LYS A 68 0.660 20.309 -6.872 1.00 0.00 O ATOM 1068 CB LYS A 68 0.815 23.563 -6.460 1.00 0.00 C ATOM 1069 CG LYS A 68 0.458 24.881 -7.178 1.00 0.00 C ATOM 1070 CD LYS A 68 1.560 25.957 -7.076 1.00 0.00 C ATOM 1071 CE LYS A 68 1.132 27.301 -7.701 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.182 28.345 -7.569 1.00 0.00 N ATOM 0 H LYS A 68 -1.288 23.824 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.674 22.385 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.057 23.783 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.714 23.146 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.263 24.671 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.465 25.277 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.816 26.112 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.461 25.599 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.902 27.152 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.217 27.647 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.849 29.229 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.384 28.509 -6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.049 28.029 -8.049 1.00 0.00 H new ATOM 1086 N HIS A 69 0.189 20.896 -4.727 1.00 0.00 N ATOM 1087 CA HIS A 69 0.635 19.649 -4.095 1.00 0.00 C ATOM 1088 C HIS A 69 -0.298 18.471 -4.472 1.00 0.00 C ATOM 1089 O HIS A 69 0.171 17.372 -4.777 1.00 0.00 O ATOM 1090 CB HIS A 69 0.694 19.847 -2.562 1.00 0.00 C ATOM 1091 CG HIS A 69 1.436 18.766 -1.830 1.00 0.00 C ATOM 1092 ND1 HIS A 69 0.860 17.971 -0.868 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.737 18.395 -1.888 1.00 0.00 C ATOM 1094 CE1 HIS A 69 1.771 17.161 -0.369 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.917 17.394 -0.972 1.00 0.00 N ATOM 0 H HIS A 69 -0.163 21.583 -4.060 1.00 0.00 H new ATOM 0 HA HIS A 69 1.632 19.399 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.167 20.805 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.323 19.900 -2.174 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.493 18.812 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.605 16.428 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.795 16.909 -0.787 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.622 18.726 -4.464 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.644 17.737 -4.895 1.00 0.00 C ATOM 1106 C ARG A 70 -2.427 17.328 -6.362 1.00 0.00 C ATOM 1107 O ARG A 70 -2.400 16.132 -6.689 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.091 18.297 -4.697 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.696 18.059 -3.297 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.829 16.557 -2.968 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.622 16.314 -1.748 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.172 15.732 -0.620 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -3.882 15.437 -0.477 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.017 15.483 0.360 1.00 0.00 N ATOM 0 H ARG A 70 -2.016 19.617 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.532 16.852 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.080 19.369 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.745 17.843 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.070 18.540 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.678 18.530 -3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.296 16.044 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.835 16.126 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.597 16.613 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.224 15.652 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.552 14.996 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.001 15.731 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.687 15.042 1.219 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.243 18.337 -7.218 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.018 18.138 -8.659 1.00 0.00 C ATOM 1130 C LEU A 71 -0.706 17.362 -8.908 1.00 0.00 C ATOM 1131 O LEU A 71 -0.626 16.506 -9.813 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.976 19.509 -9.382 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.214 20.448 -9.184 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.160 21.655 -10.136 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.549 19.693 -9.323 1.00 0.00 C ATOM 0 H LEU A 71 -2.245 19.317 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.843 17.549 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.087 20.043 -9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.855 19.327 -10.450 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.163 20.821 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.033 22.286 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.255 22.231 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.153 21.304 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.377 20.387 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.616 19.252 -10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.601 18.904 -8.572 1.00 0.00 H new ATOM 1147 N ALA A 72 0.291 17.661 -8.054 1.00 0.00 N ATOM 1148 CA ALA A 72 1.625 17.067 -8.113 1.00 0.00 C ATOM 1149 C ALA A 72 1.573 15.552 -7.916 1.00 0.00 C ATOM 1150 O ALA A 72 1.899 14.799 -8.833 1.00 0.00 O ATOM 1151 CB ALA A 72 2.556 17.707 -7.076 1.00 0.00 C ATOM 0 H ALA A 72 0.183 18.333 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 72 2.025 17.264 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.542 17.248 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.640 18.776 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.148 17.553 -6.077 1.00 0.00 H new ATOM 1157 N LEU A 73 1.118 15.119 -6.725 1.00 0.00 N ATOM 1158 CA LEU A 73 1.064 13.686 -6.369 1.00 0.00 C ATOM 1159 C LEU A 73 0.067 12.922 -7.252 1.00 0.00 C ATOM 1160 O LEU A 73 0.232 11.703 -7.453 1.00 0.00 O ATOM 1161 CB LEU A 73 0.750 13.458 -4.868 1.00 0.00 C ATOM 1162 CG LEU A 73 1.918 13.768 -3.874 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.121 15.278 -3.667 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.720 13.040 -2.535 1.00 0.00 C ATOM 0 H LEU A 73 0.781 15.742 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 73 2.062 13.288 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.106 14.076 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.449 12.419 -4.733 1.00 0.00 H new ATOM 0 HG LEU A 73 2.832 13.387 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.942 15.442 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.357 15.748 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.208 15.716 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.548 13.276 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.783 13.363 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.688 11.964 -2.707 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.951 13.643 -7.782 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.911 13.066 -8.732 1.00 0.00 C ATOM 1178 C TRP A 74 -1.183 12.543 -9.981 1.00 0.00 C ATOM 1179 O TRP A 74 -1.182 11.338 -10.229 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.004 14.084 -9.150 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.944 13.534 -10.202 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.825 12.501 -10.055 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.061 13.963 -11.569 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.478 12.270 -11.236 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.035 13.158 -12.171 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.444 14.961 -12.323 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.404 13.304 -13.499 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.810 15.109 -13.645 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.784 14.288 -14.217 1.00 0.00 C ATOM 0 H TRP A 74 -1.121 14.624 -7.562 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.405 12.238 -8.224 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.579 14.374 -8.271 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.527 14.987 -9.531 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -4.983 11.947 -9.141 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.183 11.549 -11.391 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.696 15.604 -11.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.151 12.666 -13.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.336 15.871 -14.246 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.054 14.434 -15.252 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.539 13.461 -10.729 1.00 0.00 N ATOM 1201 CA ILE A 75 0.120 13.122 -12.007 1.00 0.00 C ATOM 1202 C ILE A 75 1.377 12.249 -11.763 1.00 0.00 C ATOM 1203 O ILE A 75 1.724 11.410 -12.594 1.00 0.00 O ATOM 1204 CB ILE A 75 0.474 14.417 -12.839 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.885 14.061 -14.310 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.572 15.245 -12.140 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.165 13.290 -15.110 1.00 0.00 C ATOM 0 H ILE A 75 -0.461 14.444 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.585 12.540 -12.600 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.426 15.030 -12.889 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.116 14.985 -14.840 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.802 13.472 -14.282 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.795 16.130 -12.736 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.225 15.550 -11.153 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.473 14.641 -12.037 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.214 13.092 -16.113 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.381 12.345 -14.611 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.078 13.882 -15.178 1.00 0.00 H new ATOM 1219 N HIS A 76 2.003 12.428 -10.577 1.00 0.00 N ATOM 1220 CA HIS A 76 3.202 11.674 -10.150 1.00 0.00 C ATOM 1221 C HIS A 76 2.884 10.170 -10.104 1.00 0.00 C ATOM 1222 O HIS A 76 3.621 9.350 -10.648 1.00 0.00 O ATOM 1223 CB HIS A 76 3.669 12.174 -8.749 1.00 0.00 C ATOM 1224 CG HIS A 76 5.086 11.820 -8.371 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.432 11.304 -7.139 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.251 11.998 -9.040 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.742 11.179 -7.071 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.265 11.585 -8.214 1.00 0.00 N ATOM 0 H HIS A 76 1.686 13.106 -9.884 1.00 0.00 H new ATOM 0 HA HIS A 76 4.006 11.839 -10.867 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.563 13.258 -8.716 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.997 11.765 -7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.361 12.392 -10.039 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.296 10.807 -6.222 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.259 11.590 -8.444 1.00 0.00 H new ATOM 1237 N ALA A 77 1.744 9.839 -9.469 1.00 0.00 N ATOM 1238 CA ALA A 77 1.252 8.453 -9.358 1.00 0.00 C ATOM 1239 C ALA A 77 0.502 8.010 -10.641 1.00 0.00 C ATOM 1240 O ALA A 77 0.483 6.817 -10.965 1.00 0.00 O ATOM 1241 CB ALA A 77 0.351 8.326 -8.118 1.00 0.00 C ATOM 0 H ALA A 77 1.138 10.525 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 77 2.108 7.788 -9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.013 7.302 -8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.922 8.581 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.496 9.005 -8.213 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.100 8.984 -11.365 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.894 8.721 -12.597 1.00 0.00 C ATOM 1249 C ALA A 78 -0.005 8.203 -13.741 1.00 0.00 C ATOM 1250 O ALA A 78 -0.471 7.457 -14.612 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.663 9.981 -13.042 1.00 0.00 C ATOM 0 H ALA A 78 -0.051 9.972 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.618 7.943 -12.355 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.234 9.759 -13.944 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.343 10.291 -12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.956 10.785 -13.248 1.00 0.00 H new ATOM 1257 N LEU A 79 1.267 8.637 -13.734 1.00 0.00 N ATOM 1258 CA LEU A 79 2.306 8.083 -14.609 1.00 0.00 C ATOM 1259 C LEU A 79 2.739 6.701 -14.056 1.00 0.00 C ATOM 1260 O LEU A 79 3.154 6.623 -12.893 1.00 0.00 O ATOM 1261 CB LEU A 79 3.507 9.063 -14.692 1.00 0.00 C ATOM 1262 CG LEU A 79 3.177 10.479 -15.277 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.417 11.397 -15.257 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.562 10.373 -16.700 1.00 0.00 C ATOM 0 H LEU A 79 1.600 9.381 -13.121 1.00 0.00 H new ATOM 0 HA LEU A 79 1.919 7.951 -15.619 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.922 9.189 -13.692 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.285 8.607 -15.305 1.00 0.00 H new ATOM 0 HG LEU A 79 2.426 10.937 -14.634 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.155 12.371 -15.669 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.763 11.518 -14.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.210 10.951 -15.857 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.344 11.372 -17.078 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.269 9.879 -17.366 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.640 9.793 -16.656 1.00 0.00 H new ATOM 1276 N PRO A 80 2.613 5.588 -14.863 1.00 0.00 N ATOM 1277 CA PRO A 80 2.907 4.200 -14.400 1.00 0.00 C ATOM 1278 C PRO A 80 4.378 3.997 -13.949 1.00 0.00 C ATOM 1279 O PRO A 80 4.647 3.217 -13.025 1.00 0.00 O ATOM 1280 CB PRO A 80 2.556 3.321 -15.636 1.00 0.00 C ATOM 1281 CG PRO A 80 2.611 4.257 -16.807 1.00 0.00 C ATOM 1282 CD PRO A 80 2.143 5.591 -16.277 1.00 0.00 C ATOM 0 HA PRO A 80 2.332 3.943 -13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.266 2.502 -15.752 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.567 2.874 -15.534 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.622 4.326 -17.207 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.970 3.910 -17.618 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.572 6.420 -16.841 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.059 5.690 -16.340 1.00 0.00 H new ATOM 1290 N ASP A 81 5.317 4.697 -14.614 1.00 0.00 N ATOM 1291 CA ASP A 81 6.753 4.680 -14.238 1.00 0.00 C ATOM 1292 C ASP A 81 7.012 5.592 -13.025 1.00 0.00 C ATOM 1293 O ASP A 81 8.018 5.416 -12.311 1.00 0.00 O ATOM 1294 CB ASP A 81 7.647 5.108 -15.438 1.00 0.00 C ATOM 1295 CG ASP A 81 7.545 4.139 -16.625 1.00 0.00 C ATOM 1296 OD1 ASP A 81 8.329 3.164 -16.682 1.00 0.00 O ATOM 1297 OD2 ASP A 81 6.649 4.310 -17.475 1.00 0.00 O ATOM 0 H ASP A 81 5.110 5.286 -15.420 1.00 0.00 H new ATOM 0 HA ASP A 81 7.014 3.658 -13.963 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.358 6.107 -15.764 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.685 5.167 -15.110 1.00 0.00 H new ATOM 1302 N ASN A 82 6.076 6.553 -12.807 1.00 0.00 N ATOM 1303 CA ASN A 82 6.146 7.562 -11.743 1.00 0.00 C ATOM 1304 C ASN A 82 7.384 8.447 -11.969 1.00 0.00 C ATOM 1305 O ASN A 82 8.395 8.323 -11.286 1.00 0.00 O ATOM 1306 CB ASN A 82 6.082 6.896 -10.323 1.00 0.00 C ATOM 1307 CG ASN A 82 5.978 7.885 -9.147 1.00 0.00 C ATOM 1308 OD1 ASN A 82 6.707 8.856 -9.060 1.00 0.00 O ATOM 1309 ND2 ASN A 82 5.037 7.653 -8.243 1.00 0.00 N ATOM 0 H ASN A 82 5.239 6.641 -13.383 1.00 0.00 H new ATOM 0 HA ASN A 82 5.274 8.215 -11.783 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.224 6.225 -10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.972 6.282 -10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.915 8.293 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.435 6.834 -8.332 1.00 0.00 H new ATOM 1316 N ASP A 83 7.303 9.292 -12.998 1.00 0.00 N ATOM 1317 CA ASP A 83 8.438 10.126 -13.459 1.00 0.00 C ATOM 1318 C ASP A 83 8.663 11.346 -12.537 1.00 0.00 C ATOM 1319 O ASP A 83 7.762 11.704 -11.772 1.00 0.00 O ATOM 1320 CB ASP A 83 8.160 10.585 -14.913 1.00 0.00 C ATOM 1321 CG ASP A 83 7.969 9.396 -15.871 1.00 0.00 C ATOM 1322 OD1 ASP A 83 8.968 8.908 -16.433 1.00 0.00 O ATOM 1323 OD2 ASP A 83 6.818 8.944 -16.057 1.00 0.00 O ATOM 0 H ASP A 83 6.451 9.425 -13.543 1.00 0.00 H new ATOM 0 HA ASP A 83 9.350 9.530 -13.424 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.268 11.211 -14.930 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.988 11.202 -15.262 1.00 0.00 H new ATOM 1328 N PRO A 84 9.883 11.984 -12.568 1.00 0.00 N ATOM 1329 CA PRO A 84 10.105 13.304 -11.929 1.00 0.00 C ATOM 1330 C PRO A 84 9.610 14.470 -12.833 1.00 0.00 C ATOM 1331 O PRO A 84 9.622 15.634 -12.417 1.00 0.00 O ATOM 1332 CB PRO A 84 11.638 13.323 -11.741 1.00 0.00 C ATOM 1333 CG PRO A 84 12.165 12.544 -12.916 1.00 0.00 C ATOM 1334 CD PRO A 84 11.140 11.457 -13.189 1.00 0.00 C ATOM 0 HA PRO A 84 9.556 13.438 -10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.025 14.342 -11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.929 12.864 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.292 13.188 -13.786 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.141 12.113 -12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.016 11.284 -14.258 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.437 10.507 -12.745 1.00 0.00 H new ATOM 1342 N LEU A 85 9.184 14.107 -14.080 1.00 0.00 N ATOM 1343 CA LEU A 85 8.641 15.026 -15.114 1.00 0.00 C ATOM 1344 C LEU A 85 9.677 16.052 -15.605 1.00 0.00 C ATOM 1345 O LEU A 85 9.318 17.043 -16.244 1.00 0.00 O ATOM 1346 CB LEU A 85 7.320 15.718 -14.657 1.00 0.00 C ATOM 1347 CG LEU A 85 6.071 14.780 -14.506 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.076 14.006 -13.177 1.00 0.00 C ATOM 1349 CD2 LEU A 85 4.762 15.557 -14.687 1.00 0.00 C ATOM 0 H LEU A 85 9.212 13.138 -14.397 1.00 0.00 H new ATOM 0 HA LEU A 85 8.396 14.397 -15.970 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.501 16.206 -13.700 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.077 16.502 -15.374 1.00 0.00 H new ATOM 0 HG LEU A 85 6.138 14.041 -15.305 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.191 13.372 -13.122 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.971 13.386 -13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.070 14.711 -12.345 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.917 14.877 -14.576 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.698 16.342 -13.933 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.739 16.005 -15.680 1.00 0.00 H new ATOM 1361 N LYS A 86 10.961 15.751 -15.374 1.00 0.00 N ATOM 1362 CA LYS A 86 12.085 16.619 -15.769 1.00 0.00 C ATOM 1363 C LYS A 86 12.262 16.516 -17.305 1.00 0.00 C ATOM 1364 O LYS A 86 12.068 17.519 -18.009 1.00 0.00 O ATOM 1365 CB LYS A 86 13.372 16.198 -14.979 1.00 0.00 C ATOM 1366 CG LYS A 86 14.503 17.269 -14.888 1.00 0.00 C ATOM 1367 CD LYS A 86 15.231 17.549 -16.230 1.00 0.00 C ATOM 1368 CE LYS A 86 16.387 18.556 -16.090 1.00 0.00 C ATOM 1369 NZ LYS A 86 17.480 18.033 -15.235 1.00 0.00 N ATOM 1370 OXT LYS A 86 12.526 15.406 -17.801 1.00 0.00 O ATOM 0 H LYS A 86 11.254 14.894 -14.905 1.00 0.00 H new ATOM 0 HA LYS A 86 11.890 17.662 -15.521 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.078 15.923 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.784 15.303 -15.446 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.075 18.201 -14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.237 16.943 -14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.620 16.612 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.511 17.929 -16.955 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.782 18.794 -17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.008 19.486 -15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.293 18.680 -15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.147 17.958 -14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.768 17.094 -15.576 1.00 0.00 H new