USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 67 THR OG1 : rot 180:sc= 0.00643 USER MOD Set 1.2: A 70 SER OG : rot 77:sc= 0.00948 USER MOD Set 2.1: A 43 CYS SG : rot 71:sc= 0.39 USER MOD Set 2.2: A 50 MET CE :methyl -170:sc= -0.0111 (180deg=-0.209) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -1.96! K(o=-2.2!,f=-3.8) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 171:sc= -0.263! (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0021) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00587) USER MOD Single : A 20 GLN : amide:sc= -0.811 X(o=-0.81,f=-0.81) USER MOD Single : A 22 ASN : amide:sc= 1.27 K(o=1.3,f=-0.016) USER MOD Single : A 26 GLN : amide:sc=-0.00457 K(o=-0.0046,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00162) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 177:sc= 0 (180deg=-0.00986) USER MOD Single : A 40 ASN : amide:sc= 0.734 K(o=0.73,f=-4.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.0455 USER MOD Single : A 73 MET CE :methyl -174:sc= -0.0515 (180deg=-0.0951) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0219 K(o=-0.022,f=-2.5!) USER MOD Single : A 84 GLN : amide:sc=-0.00475 K(o=-0.0047,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 14.695 -10.223 -5.768 1.00 0.00 N ATOM 146 CA GLU A 11 14.145 -10.403 -4.429 1.00 0.00 C ATOM 147 C GLU A 11 12.986 -9.458 -4.152 1.00 0.00 C ATOM 148 O GLU A 11 13.150 -8.304 -3.745 1.00 0.00 O ATOM 149 CB GLU A 11 15.222 -10.250 -3.324 1.00 0.00 C ATOM 150 CG GLU A 11 14.725 -10.536 -1.875 1.00 0.00 C ATOM 151 CD GLU A 11 14.191 -11.949 -1.690 1.00 0.00 C ATOM 152 OE1 GLU A 11 14.898 -12.896 -2.112 1.00 0.00 O ATOM 153 OE2 GLU A 11 13.089 -12.123 -1.109 1.00 0.00 O ATOM 0 HA GLU A 11 13.770 -11.426 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.049 -10.924 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.618 -9.235 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.546 -10.371 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.942 -9.823 -1.620 1.00 0.00 H new ATOM 160 N HIS A 12 11.760 -9.941 -4.388 1.00 0.00 N ATOM 161 CA HIS A 12 10.566 -9.156 -4.216 1.00 0.00 C ATOM 162 C HIS A 12 9.445 -9.957 -3.607 1.00 0.00 C ATOM 163 O HIS A 12 9.428 -11.188 -3.625 1.00 0.00 O ATOM 164 CB HIS A 12 10.098 -8.535 -5.551 1.00 0.00 C ATOM 165 CG HIS A 12 9.805 -9.510 -6.653 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.730 -10.373 -6.687 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.421 -9.634 -7.853 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.727 -10.952 -7.907 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.714 -10.509 -8.666 1.00 0.00 N ATOM 0 H HIS A 12 11.585 -10.895 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 12 10.825 -8.352 -3.527 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.200 -7.947 -5.362 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.865 -7.843 -5.897 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.064 -10.542 -5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.331 -9.126 -8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.004 -11.689 -8.225 1.00 0.00 H new ATOM 177 N ILE A 13 8.460 -9.234 -3.063 1.00 0.00 N ATOM 178 CA ILE A 13 7.282 -9.776 -2.422 1.00 0.00 C ATOM 179 C ILE A 13 6.059 -9.265 -3.161 1.00 0.00 C ATOM 180 O ILE A 13 6.092 -8.189 -3.764 1.00 0.00 O ATOM 181 CB ILE A 13 7.230 -9.379 -0.946 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.185 -7.848 -0.716 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.454 -10.014 -0.249 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.959 -7.472 0.751 1.00 0.00 C ATOM 0 H ILE A 13 8.473 -8.214 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 13 7.311 -10.865 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 13 6.299 -9.750 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.121 -7.407 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.388 -7.418 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.448 -9.750 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.410 -11.098 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.369 -9.642 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.937 -6.387 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.010 -7.886 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.769 -7.875 1.359 1.00 0.00 H new ATOM 196 N ASN A 14 4.941 -10.020 -3.157 1.00 0.00 N ATOM 197 CA ASN A 14 3.689 -9.552 -3.724 1.00 0.00 C ATOM 198 C ASN A 14 2.732 -9.094 -2.627 1.00 0.00 C ATOM 199 O ASN A 14 2.645 -9.675 -1.543 1.00 0.00 O ATOM 200 CB ASN A 14 2.960 -10.617 -4.581 1.00 0.00 C ATOM 201 CG ASN A 14 3.827 -11.155 -5.715 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.724 -10.718 -6.864 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.667 -12.167 -5.412 1.00 0.00 N ATOM 0 H ASN A 14 4.895 -10.959 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 14 3.964 -8.722 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.652 -11.444 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.052 -10.182 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.238 -12.592 -6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.731 -12.507 -4.452 1.00 0.00 H new ATOM 210 N LEU A 15 1.971 -8.024 -2.909 1.00 0.00 N ATOM 211 CA LEU A 15 0.982 -7.456 -2.015 1.00 0.00 C ATOM 212 C LEU A 15 -0.385 -7.610 -2.649 1.00 0.00 C ATOM 213 O LEU A 15 -0.543 -7.326 -3.834 1.00 0.00 O ATOM 214 CB LEU A 15 1.209 -5.941 -1.749 1.00 0.00 C ATOM 215 CG LEU A 15 2.479 -5.580 -0.945 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.765 -5.570 -1.782 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.306 -4.205 -0.284 1.00 0.00 C ATOM 0 H LEU A 15 2.039 -7.524 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 15 1.063 -7.984 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.251 -5.426 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.342 -5.551 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 15 2.592 -6.366 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.611 -5.308 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.927 -6.558 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.672 -4.837 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.205 -3.957 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.141 -3.450 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.450 -4.230 0.390 1.00 0.00 H new ATOM 229 N LYS A 16 -1.412 -8.062 -1.902 1.00 0.00 N ATOM 230 CA LYS A 16 -2.767 -8.183 -2.407 1.00 0.00 C ATOM 231 C LYS A 16 -3.607 -7.099 -1.758 1.00 0.00 C ATOM 232 O LYS A 16 -3.705 -7.023 -0.538 1.00 0.00 O ATOM 233 CB LYS A 16 -3.390 -9.573 -2.099 1.00 0.00 C ATOM 234 CG LYS A 16 -2.436 -10.772 -2.280 1.00 0.00 C ATOM 235 CD LYS A 16 -1.899 -10.964 -3.709 1.00 0.00 C ATOM 236 CE LYS A 16 -0.736 -11.959 -3.797 1.00 0.00 C ATOM 237 NZ LYS A 16 -1.173 -13.302 -3.404 1.00 0.00 N ATOM 0 H LYS A 16 -1.310 -8.351 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.744 -8.075 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.755 -9.571 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.256 -9.717 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.590 -10.650 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.957 -11.681 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.710 -11.308 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.572 -10.000 -4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.346 -11.981 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.078 -11.632 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.385 -13.971 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.476 -13.291 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.969 -13.598 -4.005 1.00 0.00 H new ATOM 251 N VAL A 17 -4.216 -6.207 -2.556 1.00 0.00 N ATOM 252 CA VAL A 17 -4.919 -5.051 -2.029 1.00 0.00 C ATOM 253 C VAL A 17 -6.406 -5.230 -2.257 1.00 0.00 C ATOM 254 O VAL A 17 -6.872 -5.319 -3.396 1.00 0.00 O ATOM 255 CB VAL A 17 -4.430 -3.751 -2.654 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.119 -2.550 -1.979 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.902 -3.655 -2.477 1.00 0.00 C ATOM 0 H VAL A 17 -4.229 -6.275 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.715 -4.981 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.676 -3.738 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.763 -1.625 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.198 -2.628 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.884 -2.547 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.542 -2.727 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.657 -3.668 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.425 -4.502 -2.969 1.00 0.00 H new ATOM 267 N LEU A 18 -7.188 -5.317 -1.165 1.00 0.00 N ATOM 268 CA LEU A 18 -8.601 -5.625 -1.217 1.00 0.00 C ATOM 269 C LEU A 18 -9.451 -4.388 -0.973 1.00 0.00 C ATOM 270 O LEU A 18 -9.431 -3.778 0.095 1.00 0.00 O ATOM 271 CB LEU A 18 -9.014 -6.703 -0.175 1.00 0.00 C ATOM 272 CG LEU A 18 -8.427 -8.116 -0.401 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.015 -8.282 0.183 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.351 -9.173 0.224 1.00 0.00 C ATOM 0 H LEU A 18 -6.838 -5.171 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.777 -6.011 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.713 -6.359 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.101 -6.778 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.355 -8.252 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.659 -9.294 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.341 -7.565 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.043 -8.104 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.931 -10.166 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.442 -8.989 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.336 -9.115 -0.239 1.00 0.00 H new ATOM 286 N GLY A 19 -10.282 -3.986 -1.952 1.00 0.00 N ATOM 287 CA GLY A 19 -11.271 -2.937 -1.754 1.00 0.00 C ATOM 288 C GLY A 19 -12.471 -3.431 -0.992 1.00 0.00 C ATOM 289 O GLY A 19 -12.907 -4.571 -1.142 1.00 0.00 O ATOM 0 H GLY A 19 -10.279 -4.382 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.816 -2.106 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.590 -2.552 -2.722 1.00 0.00 H new ATOM 293 N GLN A 20 -13.042 -2.563 -0.139 1.00 0.00 N ATOM 294 CA GLN A 20 -14.257 -2.770 0.640 1.00 0.00 C ATOM 295 C GLN A 20 -15.459 -3.212 -0.196 1.00 0.00 C ATOM 296 O GLN A 20 -16.275 -4.041 0.210 1.00 0.00 O ATOM 297 CB GLN A 20 -14.553 -1.417 1.344 1.00 0.00 C ATOM 298 CG GLN A 20 -15.711 -1.367 2.374 1.00 0.00 C ATOM 299 CD GLN A 20 -17.116 -1.434 1.781 1.00 0.00 C ATOM 300 OE1 GLN A 20 -17.926 -2.305 2.120 1.00 0.00 O ATOM 301 NE2 GLN A 20 -17.441 -0.499 0.865 1.00 0.00 N ATOM 0 H GLN A 20 -12.635 -1.643 0.029 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.096 -3.584 1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.642 -1.099 1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.762 -0.678 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.590 -2.195 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.622 -0.447 2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.760 0.212 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.368 -0.502 0.439 1.00 0.00 H new ATOM 310 N ASP A 21 -15.572 -2.636 -1.400 1.00 0.00 N ATOM 311 CA ASP A 21 -16.566 -2.893 -2.409 1.00 0.00 C ATOM 312 C ASP A 21 -16.466 -4.296 -3.034 1.00 0.00 C ATOM 313 O ASP A 21 -17.075 -5.250 -2.543 1.00 0.00 O ATOM 314 CB ASP A 21 -16.460 -1.741 -3.454 1.00 0.00 C ATOM 315 CG ASP A 21 -15.011 -1.471 -3.835 1.00 0.00 C ATOM 316 OD1 ASP A 21 -14.312 -0.757 -3.073 1.00 0.00 O ATOM 317 OD2 ASP A 21 -14.559 -2.074 -4.839 1.00 0.00 O ATOM 0 H ASP A 21 -14.909 -1.923 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.558 -2.900 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.030 -2.002 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.906 -0.834 -3.045 1.00 0.00 H new ATOM 322 N ASN A 22 -15.726 -4.435 -4.154 1.00 0.00 N ATOM 323 CA ASN A 22 -15.525 -5.660 -4.909 1.00 0.00 C ATOM 324 C ASN A 22 -14.223 -5.616 -5.723 1.00 0.00 C ATOM 325 O ASN A 22 -13.837 -6.606 -6.346 1.00 0.00 O ATOM 326 CB ASN A 22 -16.730 -5.891 -5.875 1.00 0.00 C ATOM 327 CG ASN A 22 -17.590 -7.099 -5.507 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.957 -7.895 -6.371 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.960 -7.250 -4.219 1.00 0.00 N ATOM 0 H ASN A 22 -15.232 -3.644 -4.567 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.454 -6.481 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.356 -4.999 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.352 -6.021 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.554 -8.034 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.646 -6.580 -3.516 1.00 0.00 H new ATOM 336 N ALA A 23 -13.502 -4.477 -5.775 1.00 0.00 N ATOM 337 CA ALA A 23 -12.262 -4.360 -6.516 1.00 0.00 C ATOM 338 C ALA A 23 -11.049 -4.926 -5.773 1.00 0.00 C ATOM 339 O ALA A 23 -10.742 -4.547 -4.647 1.00 0.00 O ATOM 340 CB ALA A 23 -12.016 -2.877 -6.856 1.00 0.00 C ATOM 0 H ALA A 23 -13.778 -3.619 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.374 -4.957 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.084 -2.781 -7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.841 -2.501 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.948 -2.299 -5.934 1.00 0.00 H new ATOM 346 N VAL A 24 -10.315 -5.864 -6.399 1.00 0.00 N ATOM 347 CA VAL A 24 -9.108 -6.459 -5.839 1.00 0.00 C ATOM 348 C VAL A 24 -7.982 -6.310 -6.850 1.00 0.00 C ATOM 349 O VAL A 24 -8.169 -6.583 -8.039 1.00 0.00 O ATOM 350 CB VAL A 24 -9.298 -7.940 -5.492 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.021 -8.523 -4.850 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.481 -8.096 -4.513 1.00 0.00 C ATOM 0 H VAL A 24 -10.555 -6.229 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.869 -5.940 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.505 -8.485 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.181 -9.575 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.188 -8.431 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.791 -7.976 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.614 -9.150 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.275 -7.535 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.390 -7.714 -4.977 1.00 0.00 H new ATOM 362 N VAL A 25 -6.784 -5.859 -6.417 1.00 0.00 N ATOM 363 CA VAL A 25 -5.604 -5.739 -7.270 1.00 0.00 C ATOM 364 C VAL A 25 -4.394 -6.327 -6.557 1.00 0.00 C ATOM 365 O VAL A 25 -4.429 -6.605 -5.359 1.00 0.00 O ATOM 366 CB VAL A 25 -5.288 -4.303 -7.709 1.00 0.00 C ATOM 367 CG1 VAL A 25 -6.417 -3.777 -8.618 1.00 0.00 C ATOM 368 CG2 VAL A 25 -5.093 -3.378 -6.492 1.00 0.00 C ATOM 0 H VAL A 25 -6.618 -5.568 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.833 -6.294 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.353 -4.309 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.189 -2.757 -8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.501 -4.414 -9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.360 -3.788 -8.071 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.870 -2.368 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.005 -3.366 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.266 -3.745 -5.885 1.00 0.00 H new ATOM 378 N GLN A 26 -3.268 -6.548 -7.270 1.00 0.00 N ATOM 379 CA GLN A 26 -2.059 -7.055 -6.641 1.00 0.00 C ATOM 380 C GLN A 26 -0.797 -6.414 -7.201 1.00 0.00 C ATOM 381 O GLN A 26 -0.647 -6.224 -8.411 1.00 0.00 O ATOM 382 CB GLN A 26 -1.968 -8.603 -6.685 1.00 0.00 C ATOM 383 CG GLN A 26 -1.995 -9.238 -8.096 1.00 0.00 C ATOM 384 CD GLN A 26 -1.893 -10.760 -7.999 1.00 0.00 C ATOM 385 OE1 GLN A 26 -1.297 -11.322 -7.082 1.00 0.00 O ATOM 386 NE2 GLN A 26 -2.496 -11.474 -8.975 1.00 0.00 N ATOM 0 H GLN A 26 -3.185 -6.381 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.130 -6.766 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.048 -8.909 -6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.795 -9.014 -6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.916 -8.961 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.169 -8.849 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.987 -10.994 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.460 -12.493 -8.957 1.00 0.00 H new ATOM 395 N PHE A 27 0.135 -6.048 -6.299 1.00 0.00 N ATOM 396 CA PHE A 27 1.340 -5.289 -6.598 1.00 0.00 C ATOM 397 C PHE A 27 2.594 -6.065 -6.218 1.00 0.00 C ATOM 398 O PHE A 27 2.527 -7.120 -5.592 1.00 0.00 O ATOM 399 CB PHE A 27 1.364 -3.933 -5.836 1.00 0.00 C ATOM 400 CG PHE A 27 0.171 -3.075 -6.164 1.00 0.00 C ATOM 401 CD1 PHE A 27 -0.188 -2.797 -7.496 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.585 -2.505 -5.127 1.00 0.00 C ATOM 403 CE1 PHE A 27 -1.292 -1.983 -7.780 1.00 0.00 C ATOM 404 CE2 PHE A 27 -1.682 -1.681 -5.409 1.00 0.00 C ATOM 405 CZ PHE A 27 -2.035 -1.419 -6.737 1.00 0.00 C ATOM 0 H PHE A 27 0.056 -6.287 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 27 1.328 -5.108 -7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.390 -4.122 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.277 -3.393 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.392 -3.215 -8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.317 -2.704 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.570 -1.790 -8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.255 -1.248 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.879 -0.783 -6.957 1.00 0.00 H new ATOM 415 N LYS A 28 3.777 -5.541 -6.598 1.00 0.00 N ATOM 416 CA LYS A 28 5.066 -6.191 -6.438 1.00 0.00 C ATOM 417 C LYS A 28 6.076 -5.168 -5.931 1.00 0.00 C ATOM 418 O LYS A 28 6.129 -4.053 -6.447 1.00 0.00 O ATOM 419 CB LYS A 28 5.495 -6.736 -7.829 1.00 0.00 C ATOM 420 CG LYS A 28 6.755 -7.616 -7.869 1.00 0.00 C ATOM 421 CD LYS A 28 6.883 -8.344 -9.225 1.00 0.00 C ATOM 422 CE LYS A 28 7.812 -7.700 -10.269 1.00 0.00 C ATOM 423 NZ LYS A 28 9.225 -7.935 -9.933 1.00 0.00 N ATOM 0 H LYS A 28 3.849 -4.623 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 28 5.011 -7.010 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.665 -7.312 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.653 -5.886 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.638 -7.000 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.717 -8.348 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.235 -9.358 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.888 -8.429 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.596 -8.110 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.620 -6.628 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.826 -7.627 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.473 -7.396 -9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.376 -8.949 -9.758 1.00 0.00 H new ATOM 437 N ILE A 29 6.885 -5.492 -4.897 1.00 0.00 N ATOM 438 CA ILE A 29 7.899 -4.565 -4.395 1.00 0.00 C ATOM 439 C ILE A 29 9.072 -5.334 -3.792 1.00 0.00 C ATOM 440 O ILE A 29 8.935 -6.482 -3.374 1.00 0.00 O ATOM 441 CB ILE A 29 7.319 -3.567 -3.378 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.177 -2.285 -3.246 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.074 -4.253 -2.015 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.570 -1.223 -2.319 1.00 0.00 C ATOM 0 H ILE A 29 6.849 -6.384 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 29 8.258 -3.983 -5.244 1.00 0.00 H new ATOM 0 HB ILE A 29 6.353 -3.236 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.164 -2.557 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.319 -1.851 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.664 -3.528 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.369 -5.074 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.016 -4.641 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.229 -0.356 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.595 -0.920 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.454 -1.638 -1.318 1.00 0.00 H new ATOM 456 N LYS A 30 10.278 -4.732 -3.713 1.00 0.00 N ATOM 457 CA LYS A 30 11.413 -5.308 -3.009 1.00 0.00 C ATOM 458 C LYS A 30 11.220 -5.259 -1.495 1.00 0.00 C ATOM 459 O LYS A 30 10.642 -4.319 -0.958 1.00 0.00 O ATOM 460 CB LYS A 30 12.719 -4.537 -3.329 1.00 0.00 C ATOM 461 CG LYS A 30 13.098 -4.517 -4.817 1.00 0.00 C ATOM 462 CD LYS A 30 14.282 -3.569 -5.084 1.00 0.00 C ATOM 463 CE LYS A 30 14.760 -3.496 -6.542 1.00 0.00 C ATOM 464 NZ LYS A 30 13.692 -3.023 -7.433 1.00 0.00 N ATOM 0 H LYS A 30 10.479 -3.829 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 30 11.485 -6.342 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.614 -3.510 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.537 -4.984 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.357 -5.525 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.238 -4.203 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.001 -2.566 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.121 -3.880 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.618 -2.827 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.097 -4.481 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.051 -2.969 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.891 -3.685 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.377 -2.080 -7.127 1.00 0.00 H new ATOM 478 N LYS A 31 11.739 -6.251 -0.738 1.00 0.00 N ATOM 479 CA LYS A 31 11.539 -6.291 0.710 1.00 0.00 C ATOM 480 C LYS A 31 12.262 -5.183 1.488 1.00 0.00 C ATOM 481 O LYS A 31 11.902 -4.824 2.608 1.00 0.00 O ATOM 482 CB LYS A 31 11.910 -7.680 1.298 1.00 0.00 C ATOM 483 CG LYS A 31 13.417 -7.976 1.419 1.00 0.00 C ATOM 484 CD LYS A 31 13.729 -9.416 1.878 1.00 0.00 C ATOM 485 CE LYS A 31 13.050 -9.835 3.193 1.00 0.00 C ATOM 486 NZ LYS A 31 13.551 -11.148 3.622 1.00 0.00 N ATOM 0 H LYS A 31 12.293 -7.023 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 31 10.473 -6.108 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.461 -7.766 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.457 -8.450 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.892 -7.800 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.861 -7.274 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.424 -10.107 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.808 -9.520 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.246 -9.092 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.969 -9.876 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.087 -11.423 4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.342 -11.856 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.579 -11.096 3.770 1.00 0.00 H new ATOM 500 N HIS A 32 13.311 -4.607 0.875 1.00 0.00 N ATOM 501 CA HIS A 32 14.127 -3.548 1.438 1.00 0.00 C ATOM 502 C HIS A 32 13.455 -2.185 1.411 1.00 0.00 C ATOM 503 O HIS A 32 13.561 -1.402 2.349 1.00 0.00 O ATOM 504 CB HIS A 32 15.454 -3.412 0.647 1.00 0.00 C ATOM 505 CG HIS A 32 16.278 -4.674 0.602 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.126 -5.707 -0.307 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.323 -5.029 1.399 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.073 -6.632 -0.012 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.823 -6.260 1.005 1.00 0.00 N ATOM 0 H HIS A 32 13.614 -4.885 -0.058 1.00 0.00 H new ATOM 0 HA HIS A 32 14.296 -3.836 2.476 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.226 -3.104 -0.373 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.051 -2.617 1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.706 -4.438 2.218 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.197 -7.562 -0.547 1.00 0.00 H new ATOM 0 HE2 HIS A 32 18.605 -6.770 1.415 1.00 0.00 H new ATOM 517 N THR A 33 12.779 -1.835 0.306 1.00 0.00 N ATOM 518 CA THR A 33 12.360 -0.466 0.016 1.00 0.00 C ATOM 519 C THR A 33 11.150 -0.002 0.820 1.00 0.00 C ATOM 520 O THR A 33 10.254 -0.804 1.088 1.00 0.00 O ATOM 521 CB THR A 33 12.035 -0.274 -1.457 1.00 0.00 C ATOM 522 OG1 THR A 33 11.349 -1.405 -1.974 1.00 0.00 O ATOM 523 CG2 THR A 33 13.346 -0.166 -2.244 1.00 0.00 C ATOM 0 H THR A 33 12.508 -2.504 -0.414 1.00 0.00 H new ATOM 0 HA THR A 33 13.219 0.139 0.306 1.00 0.00 H new ATOM 0 HB THR A 33 11.420 0.621 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.148 -1.260 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.125 -0.028 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.920 0.686 -1.879 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.927 -1.079 -2.111 1.00 0.00 H new ATOM 531 N PRO A 34 11.054 1.266 1.235 1.00 0.00 N ATOM 532 CA PRO A 34 9.862 1.785 1.899 1.00 0.00 C ATOM 533 C PRO A 34 8.718 1.961 0.917 1.00 0.00 C ATOM 534 O PRO A 34 8.930 2.008 -0.295 1.00 0.00 O ATOM 535 CB PRO A 34 10.342 3.133 2.467 1.00 0.00 C ATOM 536 CG PRO A 34 11.395 3.612 1.467 1.00 0.00 C ATOM 537 CD PRO A 34 12.071 2.306 1.044 1.00 0.00 C ATOM 0 HA PRO A 34 9.469 1.119 2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.520 3.844 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.765 3.016 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.944 4.128 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.102 4.305 1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.398 2.351 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.956 2.107 1.649 1.00 0.00 H new ATOM 545 N LEU A 35 7.475 2.061 1.415 1.00 0.00 N ATOM 546 CA LEU A 35 6.296 1.910 0.582 1.00 0.00 C ATOM 547 C LEU A 35 5.971 3.140 -0.253 1.00 0.00 C ATOM 548 O LEU A 35 5.265 3.052 -1.256 1.00 0.00 O ATOM 549 CB LEU A 35 5.044 1.544 1.429 1.00 0.00 C ATOM 550 CG LEU A 35 5.057 0.173 2.155 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.420 -0.997 1.226 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.916 0.152 3.427 1.00 0.00 C ATOM 0 H LEU A 35 7.272 2.247 2.397 1.00 0.00 H new ATOM 0 HA LEU A 35 6.543 1.098 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.904 2.322 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.173 1.572 0.774 1.00 0.00 H new ATOM 0 HG LEU A 35 4.025 0.030 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.412 -1.928 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.692 -1.059 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.414 -0.835 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.875 -0.840 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.948 0.392 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.536 0.888 4.135 1.00 0.00 H new ATOM 564 N ARG A 36 6.482 4.332 0.114 1.00 0.00 N ATOM 565 CA ARG A 36 6.054 5.596 -0.464 1.00 0.00 C ATOM 566 C ARG A 36 6.173 5.718 -1.981 1.00 0.00 C ATOM 567 O ARG A 36 5.275 6.230 -2.651 1.00 0.00 O ATOM 568 CB ARG A 36 6.804 6.791 0.154 1.00 0.00 C ATOM 569 CG ARG A 36 6.046 8.110 -0.064 1.00 0.00 C ATOM 570 CD ARG A 36 6.804 9.359 0.376 1.00 0.00 C ATOM 571 NE ARG A 36 5.802 10.457 0.231 1.00 0.00 N ATOM 572 CZ ARG A 36 5.742 11.541 1.008 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.357 11.628 2.179 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.001 12.563 0.600 1.00 0.00 N ATOM 0 H ARG A 36 7.207 4.432 0.825 1.00 0.00 H new ATOM 0 HA ARG A 36 4.991 5.613 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.941 6.622 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.798 6.865 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.802 8.203 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.101 8.065 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.155 9.272 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.681 9.534 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 36 5.113 10.372 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.909 10.843 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.279 12.480 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.497 12.506 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.935 13.405 1.171 1.00 0.00 H new ATOM 588 N LYS A 37 7.286 5.231 -2.565 1.00 0.00 N ATOM 589 CA LYS A 37 7.526 5.335 -3.995 1.00 0.00 C ATOM 590 C LYS A 37 6.727 4.327 -4.825 1.00 0.00 C ATOM 591 O LYS A 37 6.704 4.389 -6.052 1.00 0.00 O ATOM 592 CB LYS A 37 9.038 5.253 -4.316 1.00 0.00 C ATOM 593 CG LYS A 37 9.423 6.210 -5.459 1.00 0.00 C ATOM 594 CD LYS A 37 10.858 6.036 -5.985 1.00 0.00 C ATOM 595 CE LYS A 37 11.027 4.782 -6.849 1.00 0.00 C ATOM 596 NZ LYS A 37 12.327 4.805 -7.539 1.00 0.00 N ATOM 0 H LYS A 37 8.031 4.760 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 37 7.162 6.319 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.615 5.499 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.298 4.231 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.727 6.066 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.299 7.236 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.135 6.914 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.546 5.985 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.955 3.891 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.221 4.725 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.427 3.949 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.382 5.646 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.093 4.837 -6.836 1.00 0.00 H new ATOM 610 N LEU A 38 6.010 3.398 -4.161 1.00 0.00 N ATOM 611 CA LEU A 38 4.957 2.601 -4.761 1.00 0.00 C ATOM 612 C LEU A 38 3.626 3.326 -4.603 1.00 0.00 C ATOM 613 O LEU A 38 2.906 3.559 -5.572 1.00 0.00 O ATOM 614 CB LEU A 38 4.895 1.202 -4.094 1.00 0.00 C ATOM 615 CG LEU A 38 3.852 0.227 -4.688 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.210 -0.205 -6.117 1.00 0.00 C ATOM 617 CD2 LEU A 38 3.702 -1.013 -3.794 1.00 0.00 C ATOM 0 H LEU A 38 6.161 3.188 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 38 5.167 2.463 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.880 0.741 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.681 1.334 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 38 2.904 0.763 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.449 -0.889 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.258 0.673 -6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.178 -0.706 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.964 -1.687 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.661 -1.525 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.374 -0.708 -2.800 1.00 0.00 H new ATOM 629 N MET A 39 3.286 3.741 -3.360 1.00 0.00 N ATOM 630 CA MET A 39 2.047 4.420 -3.002 1.00 0.00 C ATOM 631 C MET A 39 1.760 5.684 -3.804 1.00 0.00 C ATOM 632 O MET A 39 0.797 5.742 -4.562 1.00 0.00 O ATOM 633 CB MET A 39 2.032 4.789 -1.495 1.00 0.00 C ATOM 634 CG MET A 39 2.026 3.575 -0.545 1.00 0.00 C ATOM 635 SD MET A 39 2.285 4.027 1.198 1.00 0.00 S ATOM 636 CE MET A 39 0.587 4.574 1.530 1.00 0.00 C ATOM 0 H MET A 39 3.900 3.600 -2.558 1.00 0.00 H new ATOM 0 HA MET A 39 1.265 3.699 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.905 5.404 -1.275 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.152 5.400 -1.291 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.074 3.052 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.805 2.878 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.494 4.854 2.579 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.353 5.434 0.903 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.107 3.763 1.308 1.00 0.00 H new ATOM 646 N ASN A 40 2.608 6.731 -3.692 1.00 0.00 N ATOM 647 CA ASN A 40 2.377 8.003 -4.366 1.00 0.00 C ATOM 648 C ASN A 40 2.476 7.863 -5.882 1.00 0.00 C ATOM 649 O ASN A 40 1.788 8.543 -6.636 1.00 0.00 O ATOM 650 CB ASN A 40 3.369 9.122 -3.940 1.00 0.00 C ATOM 651 CG ASN A 40 3.339 9.523 -2.466 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.271 10.206 -2.021 1.00 0.00 O ATOM 653 ND2 ASN A 40 2.313 9.145 -1.681 1.00 0.00 N ATOM 0 H ASN A 40 3.461 6.707 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 40 1.369 8.289 -4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.380 8.796 -4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.165 10.008 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.293 9.421 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.555 8.582 -2.068 1.00 0.00 H new ATOM 660 N ALA A 41 3.311 6.921 -6.363 1.00 0.00 N ATOM 661 CA ALA A 41 3.453 6.601 -7.764 1.00 0.00 C ATOM 662 C ALA A 41 2.171 6.097 -8.410 1.00 0.00 C ATOM 663 O ALA A 41 1.762 6.577 -9.470 1.00 0.00 O ATOM 664 CB ALA A 41 4.551 5.545 -7.928 1.00 0.00 C ATOM 0 H ALA A 41 3.911 6.359 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 41 3.714 7.529 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.664 5.298 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.493 5.937 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.278 4.647 -7.373 1.00 0.00 H new ATOM 670 N TYR A 42 1.491 5.133 -7.759 1.00 0.00 N ATOM 671 CA TYR A 42 0.171 4.681 -8.151 1.00 0.00 C ATOM 672 C TYR A 42 -0.904 5.747 -7.947 1.00 0.00 C ATOM 673 O TYR A 42 -1.797 5.881 -8.778 1.00 0.00 O ATOM 674 CB TYR A 42 -0.212 3.366 -7.419 1.00 0.00 C ATOM 675 CG TYR A 42 0.144 2.177 -8.273 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.690 1.830 -9.350 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.287 1.398 -8.024 1.00 0.00 C ATOM 678 CE1 TYR A 42 -0.409 0.708 -10.143 1.00 0.00 C ATOM 679 CE2 TYR A 42 1.573 0.277 -8.823 1.00 0.00 C ATOM 680 CZ TYR A 42 0.717 -0.077 -9.872 1.00 0.00 C ATOM 681 OH TYR A 42 0.953 -1.251 -10.620 1.00 0.00 O ATOM 0 H TYR A 42 1.860 4.650 -6.939 1.00 0.00 H new ATOM 0 HA TYR A 42 0.219 4.482 -9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.310 3.307 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.280 3.360 -7.200 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.558 2.435 -9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.950 1.662 -7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.062 0.450 -10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.456 -0.313 -8.627 1.00 0.00 H new ATOM 0 HH TYR A 42 1.777 -1.679 -10.306 1.00 0.00 H new ATOM 691 N CYS A 43 -0.836 6.575 -6.879 1.00 0.00 N ATOM 692 CA CYS A 43 -1.724 7.723 -6.706 1.00 0.00 C ATOM 693 C CYS A 43 -1.668 8.735 -7.847 1.00 0.00 C ATOM 694 O CYS A 43 -2.707 9.194 -8.315 1.00 0.00 O ATOM 695 CB CYS A 43 -1.477 8.491 -5.380 1.00 0.00 C ATOM 696 SG CYS A 43 -1.828 7.485 -3.905 1.00 0.00 S ATOM 0 H CYS A 43 -0.163 6.458 -6.122 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.713 7.265 -6.692 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.440 8.826 -5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.101 9.384 -5.361 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.919 6.564 -3.781 1.00 0.00 H new ATOM 702 N ASP A 44 -0.466 9.085 -8.344 1.00 0.00 N ATOM 703 CA ASP A 44 -0.278 9.904 -9.529 1.00 0.00 C ATOM 704 C ASP A 44 -0.715 9.213 -10.823 1.00 0.00 C ATOM 705 O ASP A 44 -1.449 9.781 -11.632 1.00 0.00 O ATOM 706 CB ASP A 44 1.215 10.281 -9.687 1.00 0.00 C ATOM 707 CG ASP A 44 1.658 11.385 -8.757 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.828 12.112 -8.156 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.899 11.580 -8.681 1.00 0.00 O ATOM 0 H ASP A 44 0.412 8.794 -7.914 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.904 10.783 -9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.826 9.397 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.397 10.589 -10.717 1.00 0.00 H new ATOM 714 N ARG A 45 -0.276 7.958 -11.076 1.00 0.00 N ATOM 715 CA ARG A 45 -0.629 7.221 -12.289 1.00 0.00 C ATOM 716 C ARG A 45 -2.120 6.878 -12.392 1.00 0.00 C ATOM 717 O ARG A 45 -2.668 6.800 -13.490 1.00 0.00 O ATOM 718 CB ARG A 45 0.279 5.973 -12.515 1.00 0.00 C ATOM 719 CG ARG A 45 1.634 6.343 -13.169 1.00 0.00 C ATOM 720 CD ARG A 45 2.593 5.169 -13.441 1.00 0.00 C ATOM 721 NE ARG A 45 3.728 5.739 -14.236 1.00 0.00 N ATOM 722 CZ ARG A 45 4.663 5.019 -14.869 1.00 0.00 C ATOM 723 NH1 ARG A 45 4.977 3.784 -14.519 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.339 5.613 -15.845 1.00 0.00 N ATOM 0 H ARG A 45 0.330 7.439 -10.441 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.431 7.911 -13.109 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.461 5.481 -11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.244 5.256 -13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.433 6.849 -14.113 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.142 7.060 -12.525 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.950 4.733 -12.508 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.091 4.374 -13.993 1.00 0.00 H new ATOM 0 HE ARG A 45 3.794 6.755 -14.300 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.499 3.339 -13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.697 3.276 -15.033 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.138 6.583 -16.088 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.060 5.099 -16.352 1.00 0.00 H new ATOM 738 N ALA A 46 -2.838 6.711 -11.266 1.00 0.00 N ATOM 739 CA ALA A 46 -4.290 6.691 -11.248 1.00 0.00 C ATOM 740 C ALA A 46 -4.895 8.096 -11.337 1.00 0.00 C ATOM 741 O ALA A 46 -5.791 8.362 -12.137 1.00 0.00 O ATOM 742 CB ALA A 46 -4.780 5.993 -9.964 1.00 0.00 C ATOM 0 H ALA A 46 -2.414 6.587 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.621 6.140 -12.128 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.870 5.978 -9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.403 4.971 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.414 6.536 -9.092 1.00 0.00 H new ATOM 748 N GLY A 47 -4.403 9.037 -10.506 1.00 0.00 N ATOM 749 CA GLY A 47 -4.801 10.441 -10.480 1.00 0.00 C ATOM 750 C GLY A 47 -5.764 10.751 -9.365 1.00 0.00 C ATOM 751 O GLY A 47 -6.861 11.256 -9.613 1.00 0.00 O ATOM 0 H GLY A 47 -3.689 8.821 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.913 11.064 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.259 10.702 -11.434 1.00 0.00 H new ATOM 755 N LEU A 48 -5.378 10.465 -8.104 1.00 0.00 N ATOM 756 CA LEU A 48 -6.266 10.587 -6.955 1.00 0.00 C ATOM 757 C LEU A 48 -5.589 11.089 -5.678 1.00 0.00 C ATOM 758 O LEU A 48 -4.364 11.188 -5.571 1.00 0.00 O ATOM 759 CB LEU A 48 -7.029 9.256 -6.685 1.00 0.00 C ATOM 760 CG LEU A 48 -6.197 7.957 -6.528 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.361 7.879 -5.241 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.147 6.750 -6.574 1.00 0.00 C ATOM 0 H LEU A 48 -4.440 10.144 -7.866 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.980 11.362 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.617 9.387 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.734 9.104 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.484 7.955 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.814 6.936 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.655 8.709 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.020 7.936 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.572 5.830 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.870 6.825 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.673 6.737 -7.528 1.00 0.00 H new ATOM 774 N SER A 49 -6.401 11.444 -4.659 1.00 0.00 N ATOM 775 CA SER A 49 -5.932 11.884 -3.346 1.00 0.00 C ATOM 776 C SER A 49 -5.998 10.792 -2.300 1.00 0.00 C ATOM 777 O SER A 49 -7.019 10.136 -2.112 1.00 0.00 O ATOM 778 CB SER A 49 -6.773 13.036 -2.742 1.00 0.00 C ATOM 779 OG SER A 49 -6.534 14.251 -3.439 1.00 0.00 O ATOM 0 H SER A 49 -7.418 11.429 -4.737 1.00 0.00 H new ATOM 0 HA SER A 49 -4.909 12.198 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.832 12.785 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.524 13.161 -1.688 1.00 0.00 H new ATOM 0 HG SER A 49 -7.075 14.966 -3.044 1.00 0.00 H new ATOM 785 N MET A 50 -4.924 10.627 -1.502 1.00 0.00 N ATOM 786 CA MET A 50 -4.861 9.704 -0.378 1.00 0.00 C ATOM 787 C MET A 50 -5.884 9.963 0.740 1.00 0.00 C ATOM 788 O MET A 50 -6.200 9.092 1.547 1.00 0.00 O ATOM 789 CB MET A 50 -3.425 9.731 0.201 1.00 0.00 C ATOM 790 CG MET A 50 -3.037 8.494 1.033 1.00 0.00 C ATOM 791 SD MET A 50 -1.948 7.312 0.170 1.00 0.00 S ATOM 792 CE MET A 50 -3.250 6.403 -0.710 1.00 0.00 C ATOM 0 H MET A 50 -4.059 11.152 -1.635 1.00 0.00 H new ATOM 0 HA MET A 50 -5.123 8.722 -0.772 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.719 9.833 -0.623 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.317 10.618 0.825 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.541 8.826 1.945 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.947 7.976 1.336 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.824 5.511 -1.169 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.030 6.112 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.679 7.040 -1.484 1.00 0.00 H new ATOM 802 N GLN A 51 -6.471 11.175 0.793 1.00 0.00 N ATOM 803 CA GLN A 51 -7.486 11.570 1.761 1.00 0.00 C ATOM 804 C GLN A 51 -8.827 10.833 1.643 1.00 0.00 C ATOM 805 O GLN A 51 -9.632 10.812 2.573 1.00 0.00 O ATOM 806 CB GLN A 51 -7.707 13.103 1.720 1.00 0.00 C ATOM 807 CG GLN A 51 -6.375 13.885 1.822 1.00 0.00 C ATOM 808 CD GLN A 51 -6.571 15.361 2.171 1.00 0.00 C ATOM 809 OE1 GLN A 51 -7.677 15.859 2.404 1.00 0.00 O ATOM 810 NE2 GLN A 51 -5.439 16.091 2.222 1.00 0.00 N ATOM 0 H GLN A 51 -6.237 11.921 0.138 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.083 11.270 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.215 13.371 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.363 13.397 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.744 13.419 2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.843 13.810 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.540 15.652 2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.482 17.082 2.458 1.00 0.00 H new ATOM 819 N VAL A 52 -9.099 10.193 0.487 1.00 0.00 N ATOM 820 CA VAL A 52 -10.290 9.370 0.303 1.00 0.00 C ATOM 821 C VAL A 52 -9.963 7.881 0.256 1.00 0.00 C ATOM 822 O VAL A 52 -10.816 7.026 0.498 1.00 0.00 O ATOM 823 CB VAL A 52 -11.104 9.789 -0.912 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.511 11.265 -0.744 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.361 9.567 -2.242 1.00 0.00 C ATOM 0 H VAL A 52 -8.497 10.238 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.910 9.541 1.183 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.990 9.156 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.096 11.582 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.109 11.377 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.616 11.883 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.994 9.885 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.439 10.149 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.122 8.509 -2.353 1.00 0.00 H new ATOM 835 N VAL A 53 -8.696 7.518 -0.039 1.00 0.00 N ATOM 836 CA VAL A 53 -8.253 6.139 -0.165 1.00 0.00 C ATOM 837 C VAL A 53 -7.706 5.652 1.170 1.00 0.00 C ATOM 838 O VAL A 53 -6.515 5.728 1.468 1.00 0.00 O ATOM 839 CB VAL A 53 -7.214 5.978 -1.268 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.862 4.491 -1.479 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.783 6.560 -2.577 1.00 0.00 C ATOM 0 H VAL A 53 -7.951 8.196 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.112 5.529 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.307 6.508 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.119 4.402 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.458 4.078 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.760 3.941 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.048 6.450 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.694 6.025 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.011 7.617 -2.437 1.00 0.00 H new ATOM 851 N ARG A 54 -8.597 5.151 2.041 1.00 0.00 N ATOM 852 CA ARG A 54 -8.269 4.844 3.420 1.00 0.00 C ATOM 853 C ARG A 54 -7.822 3.406 3.608 1.00 0.00 C ATOM 854 O ARG A 54 -8.628 2.480 3.597 1.00 0.00 O ATOM 855 CB ARG A 54 -9.498 5.113 4.312 1.00 0.00 C ATOM 856 CG ARG A 54 -9.986 6.569 4.205 1.00 0.00 C ATOM 857 CD ARG A 54 -11.321 6.835 4.899 1.00 0.00 C ATOM 858 NE ARG A 54 -12.402 6.219 4.049 1.00 0.00 N ATOM 859 CZ ARG A 54 -13.645 6.703 4.024 1.00 0.00 C ATOM 860 NH1 ARG A 54 -13.922 7.915 4.477 1.00 0.00 N ATOM 861 NH2 ARG A 54 -14.648 6.026 3.480 1.00 0.00 N ATOM 0 H ARG A 54 -9.567 4.951 1.795 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.436 5.486 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.306 4.439 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.248 4.891 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.229 7.226 4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.078 6.833 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.326 6.402 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.487 7.906 5.014 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.176 5.407 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.177 8.500 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.880 8.264 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.479 5.109 3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.588 6.422 3.476 1.00 0.00 H new ATOM 875 N PHE A 55 -6.514 3.179 3.790 1.00 0.00 N ATOM 876 CA PHE A 55 -5.939 1.853 3.921 1.00 0.00 C ATOM 877 C PHE A 55 -5.724 1.435 5.376 1.00 0.00 C ATOM 878 O PHE A 55 -5.418 2.260 6.240 1.00 0.00 O ATOM 879 CB PHE A 55 -4.622 1.737 3.095 1.00 0.00 C ATOM 880 CG PHE A 55 -3.652 2.841 3.436 1.00 0.00 C ATOM 881 CD1 PHE A 55 -3.688 4.067 2.748 1.00 0.00 C ATOM 882 CD2 PHE A 55 -2.744 2.685 4.495 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.867 5.130 3.144 1.00 0.00 C ATOM 884 CE2 PHE A 55 -1.913 3.742 4.888 1.00 0.00 C ATOM 885 CZ PHE A 55 -1.980 4.969 4.216 1.00 0.00 C ATOM 0 H PHE A 55 -5.824 3.928 3.850 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.667 1.153 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.156 0.771 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.855 1.773 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.355 4.190 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.685 1.739 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.918 6.074 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.222 3.611 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.349 5.790 4.524 1.00 0.00 H new ATOM 895 N ARG A 56 -5.884 0.132 5.683 1.00 0.00 N ATOM 896 CA ARG A 56 -5.540 -0.432 6.979 1.00 0.00 C ATOM 897 C ARG A 56 -4.940 -1.828 6.824 1.00 0.00 C ATOM 898 O ARG A 56 -5.372 -2.627 5.995 1.00 0.00 O ATOM 899 CB ARG A 56 -6.739 -0.526 7.966 1.00 0.00 C ATOM 900 CG ARG A 56 -7.130 0.788 8.688 1.00 0.00 C ATOM 901 CD ARG A 56 -8.253 1.635 8.056 1.00 0.00 C ATOM 902 NE ARG A 56 -9.489 0.800 7.898 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.108 0.175 8.902 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.120 0.631 10.142 1.00 0.00 N ATOM 905 NH2 ARG A 56 -10.741 -0.967 8.649 1.00 0.00 N ATOM 0 H ARG A 56 -6.259 -0.553 5.026 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.814 0.262 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.608 -0.888 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.504 -1.276 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.429 0.538 9.706 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.238 1.411 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.465 2.501 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.933 2.015 7.086 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.882 0.703 6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.640 1.502 10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.609 0.112 10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.747 -1.348 7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.221 -1.462 9.401 1.00 0.00 H new ATOM 919 N PHE A 57 -3.931 -2.147 7.653 1.00 0.00 N ATOM 920 CA PHE A 57 -3.234 -3.416 7.715 1.00 0.00 C ATOM 921 C PHE A 57 -3.524 -4.002 9.091 1.00 0.00 C ATOM 922 O PHE A 57 -3.433 -3.287 10.083 1.00 0.00 O ATOM 923 CB PHE A 57 -1.708 -3.174 7.533 1.00 0.00 C ATOM 924 CG PHE A 57 -0.898 -4.442 7.643 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.671 -5.244 6.516 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.360 -4.842 8.880 1.00 0.00 C ATOM 927 CE1 PHE A 57 0.045 -6.444 6.627 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.349 -6.046 8.998 1.00 0.00 C ATOM 929 CZ PHE A 57 0.555 -6.846 7.867 1.00 0.00 C ATOM 0 H PHE A 57 -3.569 -1.477 8.332 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.561 -4.098 6.930 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.531 -2.718 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.365 -2.463 8.285 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.051 -4.935 5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.495 -4.214 9.749 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.203 -7.060 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.735 -6.355 9.958 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.106 -7.771 7.951 1.00 0.00 H new ATOM 939 N ASP A 58 -3.918 -5.295 9.210 1.00 0.00 N ATOM 940 CA ASP A 58 -4.269 -5.934 10.485 1.00 0.00 C ATOM 941 C ASP A 58 -5.413 -5.199 11.232 1.00 0.00 C ATOM 942 O ASP A 58 -5.531 -5.197 12.459 1.00 0.00 O ATOM 943 CB ASP A 58 -2.965 -6.124 11.331 1.00 0.00 C ATOM 944 CG ASP A 58 -3.061 -7.143 12.443 1.00 0.00 C ATOM 945 OD1 ASP A 58 -4.012 -7.965 12.468 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.173 -7.138 13.340 1.00 0.00 O ATOM 0 H ASP A 58 -3.999 -5.922 8.410 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.688 -6.922 10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.156 -6.416 10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.689 -5.163 11.764 1.00 0.00 H new ATOM 951 N GLY A 59 -6.293 -4.512 10.468 1.00 0.00 N ATOM 952 CA GLY A 59 -7.312 -3.602 10.983 1.00 0.00 C ATOM 953 C GLY A 59 -6.792 -2.336 11.632 1.00 0.00 C ATOM 954 O GLY A 59 -7.519 -1.692 12.382 1.00 0.00 O ATOM 0 H GLY A 59 -6.305 -4.585 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.973 -3.323 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.919 -4.140 11.712 1.00 0.00 H new ATOM 958 N GLN A 60 -5.523 -1.965 11.394 1.00 0.00 N ATOM 959 CA GLN A 60 -4.810 -0.886 12.060 1.00 0.00 C ATOM 960 C GLN A 60 -4.157 0.032 11.017 1.00 0.00 C ATOM 961 O GLN A 60 -4.012 -0.371 9.861 1.00 0.00 O ATOM 962 CB GLN A 60 -3.710 -1.511 12.969 1.00 0.00 C ATOM 963 CG GLN A 60 -4.291 -2.370 14.122 1.00 0.00 C ATOM 964 CD GLN A 60 -3.227 -3.258 14.782 1.00 0.00 C ATOM 965 OE1 GLN A 60 -2.043 -3.205 14.532 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.726 -4.151 15.683 1.00 0.00 N ATOM 0 H GLN A 60 -4.948 -2.438 10.697 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.504 -0.296 12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.051 -2.129 12.359 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.099 -0.713 13.391 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.731 -1.715 14.874 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.095 -2.997 13.735 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.727 -4.175 15.876 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.098 -4.795 16.164 1.00 0.00 H new ATOM 975 N PRO A 61 -3.763 1.271 11.302 1.00 0.00 N ATOM 976 CA PRO A 61 -3.059 2.105 10.328 1.00 0.00 C ATOM 977 C PRO A 61 -1.598 1.697 10.160 1.00 0.00 C ATOM 978 O PRO A 61 -1.018 1.040 11.023 1.00 0.00 O ATOM 979 CB PRO A 61 -3.185 3.515 10.931 1.00 0.00 C ATOM 980 CG PRO A 61 -3.254 3.275 12.439 1.00 0.00 C ATOM 981 CD PRO A 61 -4.073 1.990 12.537 1.00 0.00 C ATOM 0 HA PRO A 61 -3.476 2.021 9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.331 4.139 10.666 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.077 4.025 10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.262 3.158 12.876 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.736 4.103 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.797 1.408 13.416 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.139 2.202 12.617 1.00 0.00 H new ATOM 989 N ILE A 62 -0.971 2.096 9.040 1.00 0.00 N ATOM 990 CA ILE A 62 0.407 1.772 8.713 1.00 0.00 C ATOM 991 C ILE A 62 1.016 3.018 8.082 1.00 0.00 C ATOM 992 O ILE A 62 0.297 3.953 7.731 1.00 0.00 O ATOM 993 CB ILE A 62 0.496 0.516 7.837 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.936 -0.036 7.695 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.189 0.749 6.472 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.982 -1.466 7.143 1.00 0.00 C ATOM 0 H ILE A 62 -1.428 2.665 8.328 1.00 0.00 H new ATOM 0 HA ILE A 62 0.981 1.512 9.602 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.053 -0.270 8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.506 0.619 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.425 -0.013 8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.113 -0.155 5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.240 0.994 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.302 1.573 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.019 -1.794 7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.439 -2.132 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.521 -1.490 6.155 1.00 0.00 H new ATOM 1008 N ASN A 63 2.354 3.117 7.969 1.00 0.00 N ATOM 1009 CA ASN A 63 3.018 4.311 7.485 1.00 0.00 C ATOM 1010 C ASN A 63 3.990 3.953 6.375 1.00 0.00 C ATOM 1011 O ASN A 63 4.167 2.797 6.007 1.00 0.00 O ATOM 1012 CB ASN A 63 3.798 5.016 8.624 1.00 0.00 C ATOM 1013 CG ASN A 63 2.844 5.562 9.667 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.476 6.758 9.593 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.431 4.761 10.656 1.00 0.00 N ATOM 0 H ASN A 63 2.994 2.362 8.215 1.00 0.00 H new ATOM 0 HA ASN A 63 2.251 4.988 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.489 4.312 9.088 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.398 5.827 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.801 5.120 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.746 3.792 10.692 1.00 0.00 H new ATOM 1022 N GLU A 64 4.668 4.964 5.798 1.00 0.00 N ATOM 1023 CA GLU A 64 5.644 4.745 4.749 1.00 0.00 C ATOM 1024 C GLU A 64 7.011 4.281 5.240 1.00 0.00 C ATOM 1025 O GLU A 64 7.799 3.747 4.462 1.00 0.00 O ATOM 1026 CB GLU A 64 5.847 6.037 3.918 1.00 0.00 C ATOM 1027 CG GLU A 64 6.288 7.287 4.726 1.00 0.00 C ATOM 1028 CD GLU A 64 6.952 8.313 3.825 1.00 0.00 C ATOM 1029 OE1 GLU A 64 8.049 7.997 3.289 1.00 0.00 O ATOM 1030 OE2 GLU A 64 6.395 9.421 3.627 1.00 0.00 O ATOM 0 H GLU A 64 4.545 5.944 6.054 1.00 0.00 H new ATOM 0 HA GLU A 64 5.225 3.939 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.594 5.840 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.914 6.268 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.421 7.733 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.979 6.989 5.514 1.00 0.00 H new ATOM 1037 N ASN A 65 7.338 4.503 6.531 1.00 0.00 N ATOM 1038 CA ASN A 65 8.672 4.308 7.070 1.00 0.00 C ATOM 1039 C ASN A 65 8.987 2.841 7.332 1.00 0.00 C ATOM 1040 O ASN A 65 10.129 2.404 7.193 1.00 0.00 O ATOM 1041 CB ASN A 65 8.842 5.136 8.375 1.00 0.00 C ATOM 1042 CG ASN A 65 10.322 5.376 8.657 1.00 0.00 C ATOM 1043 OD1 ASN A 65 11.004 6.039 7.866 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.854 4.850 9.776 1.00 0.00 N ATOM 0 H ASN A 65 6.664 4.826 7.225 1.00 0.00 H new ATOM 0 HA ASN A 65 9.380 4.656 6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.323 6.090 8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.386 4.607 9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.841 4.994 9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.270 4.307 10.412 1.00 0.00 H new ATOM 1051 N ASP A 66 7.967 2.062 7.730 1.00 0.00 N ATOM 1052 CA ASP A 66 8.059 0.663 8.077 1.00 0.00 C ATOM 1053 C ASP A 66 8.338 -0.214 6.856 1.00 0.00 C ATOM 1054 O ASP A 66 7.456 -0.518 6.057 1.00 0.00 O ATOM 1055 CB ASP A 66 6.726 0.202 8.730 1.00 0.00 C ATOM 1056 CG ASP A 66 6.271 1.175 9.788 1.00 0.00 C ATOM 1057 OD1 ASP A 66 5.563 2.158 9.439 1.00 0.00 O ATOM 1058 OD2 ASP A 66 6.593 0.992 10.985 1.00 0.00 O ATOM 0 H ASP A 66 7.017 2.423 7.817 1.00 0.00 H new ATOM 0 HA ASP A 66 8.890 0.552 8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.956 0.108 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.857 -0.785 9.173 1.00 0.00 H new ATOM 1063 N THR A 67 9.590 -0.664 6.658 1.00 0.00 N ATOM 1064 CA THR A 67 9.912 -1.526 5.525 1.00 0.00 C ATOM 1065 C THR A 67 9.443 -2.950 5.786 1.00 0.00 C ATOM 1066 O THR A 67 9.426 -3.384 6.941 1.00 0.00 O ATOM 1067 CB THR A 67 11.397 -1.538 5.167 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.209 -1.859 6.285 1.00 0.00 O ATOM 1069 CG2 THR A 67 11.801 -0.133 4.720 1.00 0.00 C ATOM 0 H THR A 67 10.381 -0.444 7.264 1.00 0.00 H new ATOM 0 HA THR A 67 9.382 -1.104 4.672 1.00 0.00 H new ATOM 0 HB THR A 67 11.542 -2.286 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.151 -1.858 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.860 -0.124 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.212 0.155 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.620 0.573 5.531 1.00 0.00 H new ATOM 1077 N PRO A 68 9.049 -3.768 4.811 1.00 0.00 N ATOM 1078 CA PRO A 68 8.466 -5.074 5.117 1.00 0.00 C ATOM 1079 C PRO A 68 9.520 -6.060 5.606 1.00 0.00 C ATOM 1080 O PRO A 68 9.167 -7.099 6.157 1.00 0.00 O ATOM 1081 CB PRO A 68 7.781 -5.498 3.808 1.00 0.00 C ATOM 1082 CG PRO A 68 8.452 -4.658 2.718 1.00 0.00 C ATOM 1083 CD PRO A 68 8.794 -3.354 3.431 1.00 0.00 C ATOM 0 HA PRO A 68 7.750 -5.041 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.912 -6.564 3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.708 -5.311 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.344 -5.147 2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.784 -4.490 1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.667 -2.874 2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.973 -2.639 3.373 1.00 0.00 H new ATOM 1091 N THR A 69 10.821 -5.732 5.485 1.00 0.00 N ATOM 1092 CA THR A 69 11.917 -6.471 6.115 1.00 0.00 C ATOM 1093 C THR A 69 12.123 -6.125 7.589 1.00 0.00 C ATOM 1094 O THR A 69 12.892 -6.776 8.292 1.00 0.00 O ATOM 1095 CB THR A 69 13.232 -6.325 5.352 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.123 -7.397 5.616 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.960 -4.998 5.613 1.00 0.00 C ATOM 0 H THR A 69 11.138 -4.932 4.937 1.00 0.00 H new ATOM 0 HA THR A 69 11.605 -7.514 6.071 1.00 0.00 H new ATOM 0 HB THR A 69 12.936 -6.341 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.100 -7.614 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.884 -4.970 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.321 -4.167 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.193 -4.913 6.675 1.00 0.00 H new ATOM 1105 N SER A 70 11.420 -5.101 8.115 1.00 0.00 N ATOM 1106 CA SER A 70 11.274 -4.864 9.551 1.00 0.00 C ATOM 1107 C SER A 70 10.114 -5.668 10.108 1.00 0.00 C ATOM 1108 O SER A 70 10.064 -6.014 11.286 1.00 0.00 O ATOM 1109 CB SER A 70 10.948 -3.385 9.892 1.00 0.00 C ATOM 1110 OG SER A 70 12.028 -2.524 9.538 1.00 0.00 O ATOM 0 H SER A 70 10.935 -4.412 7.541 1.00 0.00 H new ATOM 0 HA SER A 70 12.233 -5.150 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.046 -3.077 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.740 -3.292 10.958 1.00 0.00 H new ATOM 0 HG SER A 70 12.032 -2.386 8.568 1.00 0.00 H new ATOM 1116 N LEU A 71 9.117 -5.960 9.256 1.00 0.00 N ATOM 1117 CA LEU A 71 7.909 -6.667 9.632 1.00 0.00 C ATOM 1118 C LEU A 71 8.083 -8.185 9.595 1.00 0.00 C ATOM 1119 O LEU A 71 7.716 -8.889 10.535 1.00 0.00 O ATOM 1120 CB LEU A 71 6.764 -6.224 8.690 1.00 0.00 C ATOM 1121 CG LEU A 71 5.352 -6.552 9.206 1.00 0.00 C ATOM 1122 CD1 LEU A 71 4.955 -5.662 10.393 1.00 0.00 C ATOM 1123 CD2 LEU A 71 4.319 -6.408 8.080 1.00 0.00 C ATOM 0 H LEU A 71 9.141 -5.700 8.270 1.00 0.00 H new ATOM 0 HA LEU A 71 7.669 -6.413 10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.838 -5.148 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.903 -6.701 7.720 1.00 0.00 H new ATOM 0 HG LEU A 71 5.368 -7.586 9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.952 -5.926 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.660 -5.810 11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.971 -4.616 10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.327 -6.644 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.329 -5.384 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.567 -7.093 7.269 1.00 0.00 H new ATOM 1135 N GLU A 72 8.653 -8.705 8.488 1.00 0.00 N ATOM 1136 CA GLU A 72 8.932 -10.110 8.216 1.00 0.00 C ATOM 1137 C GLU A 72 7.770 -11.091 8.344 1.00 0.00 C ATOM 1138 O GLU A 72 7.755 -11.983 9.186 1.00 0.00 O ATOM 1139 CB GLU A 72 10.203 -10.661 8.914 1.00 0.00 C ATOM 1140 CG GLU A 72 11.526 -10.095 8.335 1.00 0.00 C ATOM 1141 CD GLU A 72 12.757 -10.869 8.784 1.00 0.00 C ATOM 1142 OE1 GLU A 72 12.648 -11.797 9.628 1.00 0.00 O ATOM 1143 OE2 GLU A 72 13.867 -10.555 8.271 1.00 0.00 O ATOM 0 H GLU A 72 8.946 -8.106 7.716 1.00 0.00 H new ATOM 0 HA GLU A 72 9.130 -10.059 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.153 -10.428 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.213 -11.747 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.474 -10.108 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.630 -9.053 8.636 1.00 0.00 H new ATOM 1150 N MET A 73 6.800 -10.992 7.417 1.00 0.00 N ATOM 1151 CA MET A 73 5.811 -12.035 7.159 1.00 0.00 C ATOM 1152 C MET A 73 6.223 -12.863 5.937 1.00 0.00 C ATOM 1153 O MET A 73 5.457 -13.690 5.443 1.00 0.00 O ATOM 1154 CB MET A 73 4.406 -11.416 6.907 1.00 0.00 C ATOM 1155 CG MET A 73 3.534 -11.248 8.171 1.00 0.00 C ATOM 1156 SD MET A 73 4.216 -10.170 9.463 1.00 0.00 S ATOM 1157 CE MET A 73 4.594 -11.507 10.627 1.00 0.00 C ATOM 0 H MET A 73 6.686 -10.171 6.822 1.00 0.00 H new ATOM 0 HA MET A 73 5.763 -12.677 8.038 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.534 -10.440 6.439 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.871 -12.044 6.195 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.563 -10.854 7.870 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.358 -12.234 8.602 1.00 0.00 H new ATOM 0 HE1 MET A 73 4.937 -11.082 11.570 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.697 -12.102 10.801 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.375 -12.142 10.210 1.00 0.00 H new ATOM 1167 N GLU A 74 7.452 -12.637 5.420 1.00 0.00 N ATOM 1168 CA GLU A 74 7.908 -13.017 4.092 1.00 0.00 C ATOM 1169 C GLU A 74 7.106 -12.286 3.020 1.00 0.00 C ATOM 1170 O GLU A 74 7.361 -11.109 2.778 1.00 0.00 O ATOM 1171 CB GLU A 74 8.076 -14.545 3.883 1.00 0.00 C ATOM 1172 CG GLU A 74 8.860 -14.952 2.604 1.00 0.00 C ATOM 1173 CD GLU A 74 10.279 -14.398 2.543 1.00 0.00 C ATOM 1174 OE1 GLU A 74 10.974 -14.393 3.594 1.00 0.00 O ATOM 1175 OE2 GLU A 74 10.720 -13.980 1.443 1.00 0.00 O ATOM 0 H GLU A 74 8.178 -12.160 5.956 1.00 0.00 H new ATOM 0 HA GLU A 74 8.937 -12.673 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.587 -14.961 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.087 -15.002 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.903 -16.040 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.309 -14.609 1.728 1.00 0.00 H new ATOM 1182 N GLU A 75 6.094 -12.917 2.387 1.00 0.00 N ATOM 1183 CA GLU A 75 5.232 -12.211 1.456 1.00 0.00 C ATOM 1184 C GLU A 75 3.757 -12.519 1.644 1.00 0.00 C ATOM 1185 O GLU A 75 3.356 -13.362 2.450 1.00 0.00 O ATOM 1186 CB GLU A 75 5.627 -12.440 -0.021 1.00 0.00 C ATOM 1187 CG GLU A 75 5.250 -13.803 -0.643 1.00 0.00 C ATOM 1188 CD GLU A 75 5.253 -13.710 -2.156 1.00 0.00 C ATOM 1189 OE1 GLU A 75 4.549 -12.821 -2.704 1.00 0.00 O ATOM 1190 OE2 GLU A 75 5.904 -14.557 -2.814 1.00 0.00 O ATOM 0 H GLU A 75 5.867 -13.904 2.511 1.00 0.00 H new ATOM 0 HA GLU A 75 5.386 -11.159 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.167 -11.655 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.706 -12.315 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.956 -14.567 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.265 -14.110 -0.293 1.00 0.00 H new ATOM 1197 N GLY A 76 2.905 -11.813 0.868 1.00 0.00 N ATOM 1198 CA GLY A 76 1.463 -11.976 0.894 1.00 0.00 C ATOM 1199 C GLY A 76 0.802 -11.012 1.829 1.00 0.00 C ATOM 1200 O GLY A 76 0.315 -11.395 2.888 1.00 0.00 O ATOM 0 H GLY A 76 3.220 -11.108 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.065 -11.836 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.220 -12.995 1.194 1.00 0.00 H new ATOM 1204 N ASP A 77 0.735 -9.727 1.444 1.00 0.00 N ATOM 1205 CA ASP A 77 -0.045 -8.737 2.164 1.00 0.00 C ATOM 1206 C ASP A 77 -1.528 -8.888 1.798 1.00 0.00 C ATOM 1207 O ASP A 77 -1.855 -9.348 0.705 1.00 0.00 O ATOM 1208 CB ASP A 77 0.527 -7.329 1.843 1.00 0.00 C ATOM 1209 CG ASP A 77 -0.045 -6.214 2.697 1.00 0.00 C ATOM 1210 OD1 ASP A 77 -0.888 -6.504 3.578 1.00 0.00 O ATOM 1211 OD2 ASP A 77 0.353 -5.050 2.461 1.00 0.00 O ATOM 0 H ASP A 77 1.222 -9.358 0.627 1.00 0.00 H new ATOM 0 HA ASP A 77 0.024 -8.881 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.609 -7.351 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.336 -7.102 0.794 1.00 0.00 H new ATOM 1216 N THR A 78 -2.428 -8.527 2.725 1.00 0.00 N ATOM 1217 CA THR A 78 -3.881 -8.570 2.591 1.00 0.00 C ATOM 1218 C THR A 78 -4.493 -7.273 3.108 1.00 0.00 C ATOM 1219 O THR A 78 -5.609 -7.229 3.638 1.00 0.00 O ATOM 1220 CB THR A 78 -4.569 -9.748 3.281 1.00 0.00 C ATOM 1221 OG1 THR A 78 -4.246 -9.867 4.664 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.141 -11.060 2.610 1.00 0.00 C ATOM 0 H THR A 78 -2.138 -8.178 3.639 1.00 0.00 H new ATOM 0 HA THR A 78 -4.055 -8.703 1.523 1.00 0.00 H new ATOM 0 HB THR A 78 -5.639 -9.560 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.718 -10.636 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.633 -11.898 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.426 -11.040 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.060 -11.174 2.691 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.766 -6.155 2.938 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.178 -4.789 3.226 1.00 0.00 C ATOM 1232 C ILE A 79 -5.507 -4.359 2.585 1.00 0.00 C ATOM 1233 O ILE A 79 -5.786 -4.582 1.402 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.029 -3.830 2.883 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.254 -2.393 3.412 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.716 -3.869 1.369 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.011 -1.502 3.280 1.00 0.00 C ATOM 0 H ILE A 79 -2.815 -6.195 2.572 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.390 -4.746 4.294 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.145 -4.186 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.080 -1.937 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.551 -2.440 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.899 -3.182 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.427 -4.880 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.601 -3.572 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.233 -0.508 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.189 -1.938 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.727 -1.427 2.230 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.407 -3.747 3.385 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.715 -3.333 2.914 1.00 0.00 C ATOM 1251 C GLU A 80 -7.719 -1.879 2.464 1.00 0.00 C ATOM 1252 O GLU A 80 -6.906 -1.065 2.904 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.828 -3.507 3.986 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.596 -2.680 5.278 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.851 -2.040 5.839 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.731 -2.756 6.385 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -9.936 -0.790 5.862 1.00 0.00 O ATOM 0 H GLU A 80 -6.234 -3.534 4.367 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.930 -3.988 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.785 -3.220 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.901 -4.562 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.161 -3.329 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.865 -1.899 5.070 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.661 -1.518 1.572 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.974 -0.141 1.228 1.00 0.00 C ATOM 1266 C VAL A 81 -10.436 0.141 1.530 1.00 0.00 C ATOM 1267 O VAL A 81 -11.352 -0.325 0.847 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.669 0.185 -0.234 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -9.075 1.635 -0.576 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.159 0.001 -0.476 1.00 0.00 C ATOM 0 H VAL A 81 -9.230 -2.198 1.067 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.335 0.499 1.836 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.242 -0.486 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.847 1.840 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.144 1.763 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.521 2.327 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.927 0.230 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.601 0.672 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.879 -1.030 -0.261 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.709 0.961 2.565 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.039 1.435 2.888 1.00 0.00 C ATOM 1282 C TYR A 82 -12.330 2.714 2.111 1.00 0.00 C ATOM 1283 O TYR A 82 -12.215 3.840 2.600 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.232 1.628 4.418 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.672 1.386 4.804 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.670 2.351 4.585 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.038 0.144 5.344 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -16.014 2.071 4.880 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.376 -0.136 5.647 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.367 0.822 5.405 1.00 0.00 C ATOM 1291 OH TYR A 82 -17.712 0.506 5.692 1.00 0.00 O ATOM 0 H TYR A 82 -9.990 1.309 3.200 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.760 0.675 2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.583 0.941 4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.938 2.638 4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.401 3.318 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.280 -0.603 5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.774 2.818 4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.644 -1.094 6.068 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.765 -0.405 6.049 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.707 2.549 0.833 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.966 3.607 -0.127 1.00 0.00 C ATOM 1303 C GLN A 83 -14.053 4.605 0.292 1.00 0.00 C ATOM 1304 O GLN A 83 -14.854 4.350 1.191 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.341 2.908 -1.464 1.00 0.00 C ATOM 1306 CG GLN A 83 -13.342 3.780 -2.741 1.00 0.00 C ATOM 1307 CD GLN A 83 -11.973 4.406 -2.996 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -11.767 5.593 -2.728 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.028 3.578 -3.491 1.00 0.00 N ATOM 0 H GLN A 83 -12.843 1.621 0.431 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.069 4.220 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.647 2.082 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.334 2.473 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.629 3.171 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.090 4.567 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.258 2.605 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.084 3.926 -3.662 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.106 5.798 -0.338 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.178 6.760 -0.127 1.00 0.00 C ATOM 1320 C GLN A 84 -16.533 6.281 -0.646 1.00 0.00 C ATOM 1321 O GLN A 84 -17.513 6.228 0.099 1.00 0.00 O ATOM 1322 CB GLN A 84 -14.819 8.154 -0.719 1.00 0.00 C ATOM 1323 CG GLN A 84 -14.352 8.190 -2.202 1.00 0.00 C ATOM 1324 CD GLN A 84 -14.191 9.622 -2.720 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -14.528 10.609 -2.059 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -13.665 9.749 -3.956 1.00 0.00 N ATOM 0 H GLN A 84 -13.400 6.109 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.278 6.858 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.693 8.799 -0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.032 8.591 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.403 7.662 -2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.075 7.660 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.394 8.919 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.538 10.675 -4.364 1.00 0.00 H new