USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 656 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-2.6!) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= -0.677 (180deg=-0.747) USER MOD Single : A 14 MET CE :methyl -122:sc= -1.63 (180deg=-2.52!) USER MOD Single : A 16 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.28) USER MOD Single : A 18 THR OG1 : rot 12:sc= 1.08 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.493 K(o=0.49,f=-3.6!) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0432) USER MOD Single : A 27 HIS : no HD1:sc= -5.43! K(o=-5.4!,f=-3) USER MOD Single : A 28 TYR OH : rot -39:sc= -0.0924 USER MOD Single : A 33 SER OG : rot -26:sc= 0.11 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 24:sc= -5.09! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.057) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0575) USER MOD Single : A 54 SER OG : rot 180:sc= -0.624 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 2:sc= 0.246 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -169:sc= 0 (180deg=-0.247) USER MOD Single : A 86 TYR OH : rot 20:sc= -0.27 USER MOD Single : A 91 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.4) USER MOD Single : A 112 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.310 3.242 8.188 1.00 0.00 N ATOM 100 CA LYS A 10 -3.349 1.858 7.730 1.00 0.00 C ATOM 101 C LYS A 10 -1.967 1.219 7.811 1.00 0.00 C ATOM 102 O LYS A 10 -0.953 1.882 7.593 1.00 0.00 O ATOM 103 CB LYS A 10 -3.871 1.791 6.293 1.00 0.00 C ATOM 104 CG LYS A 10 -4.073 0.373 5.785 1.00 0.00 C ATOM 105 CD LYS A 10 -5.151 0.312 4.717 1.00 0.00 C ATOM 106 CE LYS A 10 -5.610 -1.117 4.469 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.558 -1.585 5.518 1.00 0.00 N ATOM 0 HA LYS A 10 -4.024 1.304 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.818 2.328 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.171 2.307 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.135 -0.006 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.346 -0.277 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.002 0.921 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.770 0.739 3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.089 -1.180 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.743 -1.777 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.795 -2.584 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.117 -1.485 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.426 -1.013 5.482 1.00 0.00 H new ATOM 121 N GLU A 11 -1.934 -0.073 8.124 1.00 0.00 N ATOM 122 CA GLU A 11 -0.675 -0.800 8.232 1.00 0.00 C ATOM 123 C GLU A 11 -0.909 -2.306 8.151 1.00 0.00 C ATOM 124 O GLU A 11 -1.993 -2.795 8.465 1.00 0.00 O ATOM 125 CB GLU A 11 0.029 -0.453 9.545 1.00 0.00 C ATOM 126 CG GLU A 11 -0.833 -0.677 10.776 1.00 0.00 C ATOM 127 CD GLU A 11 -0.764 -2.104 11.284 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.290 -2.981 10.531 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.183 -2.344 12.436 1.00 0.00 O ATOM 0 H GLU A 11 -2.764 -0.637 8.307 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.040 -0.502 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.934 -1.054 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.341 0.591 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.514 0.002 11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.868 -0.429 10.541 1.00 0.00 H new ATOM 136 N GLY A 12 0.118 -3.036 7.725 1.00 0.00 N ATOM 137 CA GLY A 12 0.005 -4.478 7.608 1.00 0.00 C ATOM 138 C GLY A 12 0.961 -5.054 6.582 1.00 0.00 C ATOM 139 O GLY A 12 1.398 -4.352 5.670 1.00 0.00 O ATOM 0 H GLY A 12 1.026 -2.654 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.200 -4.934 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.017 -4.738 7.334 1.00 0.00 H new ATOM 143 N TRP A 13 1.288 -6.332 6.732 1.00 0.00 N ATOM 144 CA TRP A 13 2.200 -7.001 5.811 1.00 0.00 C ATOM 145 C TRP A 13 1.533 -7.239 4.461 1.00 0.00 C ATOM 146 O TRP A 13 0.583 -8.015 4.356 1.00 0.00 O ATOM 147 CB TRP A 13 2.671 -8.330 6.403 1.00 0.00 C ATOM 148 CG TRP A 13 3.547 -8.167 7.608 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.140 -8.033 8.905 1.00 0.00 C ATOM 150 CD2 TRP A 13 4.978 -8.117 7.628 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.232 -7.904 9.730 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.371 -7.953 8.970 1.00 0.00 C ATOM 153 CE3 TRP A 13 5.965 -8.197 6.642 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.708 -7.867 9.349 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.291 -8.111 7.019 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.653 -7.948 8.363 1.00 0.00 C ATOM 0 H TRP A 13 0.935 -6.926 7.482 1.00 0.00 H new ATOM 0 HA TRP A 13 3.063 -6.353 5.659 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.801 -8.928 6.674 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.215 -8.887 5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.111 -8.029 9.234 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.200 -7.790 10.743 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.696 -8.324 5.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.989 -7.741 10.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.062 -8.170 6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.699 -7.885 8.626 1.00 0.00 H new ATOM 167 N MET A 14 2.036 -6.568 3.431 1.00 0.00 N ATOM 168 CA MET A 14 1.488 -6.709 2.086 1.00 0.00 C ATOM 169 C MET A 14 2.547 -7.229 1.120 1.00 0.00 C ATOM 170 O MET A 14 3.746 -7.090 1.363 1.00 0.00 O ATOM 171 CB MET A 14 0.944 -5.368 1.591 1.00 0.00 C ATOM 172 CG MET A 14 0.291 -5.446 0.220 1.00 0.00 C ATOM 173 SD MET A 14 -1.085 -6.610 0.172 1.00 0.00 S ATOM 174 CE MET A 14 -2.433 -5.563 0.714 1.00 0.00 C ATOM 0 H MET A 14 2.822 -5.921 3.501 1.00 0.00 H new ATOM 0 HA MET A 14 0.672 -7.431 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.216 -4.993 2.310 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.759 -4.645 1.556 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.065 -4.456 -0.065 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.037 -5.741 -0.518 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.892 -5.992 1.605 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.051 -4.569 0.946 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.178 -5.490 -0.078 1.00 0.00 H new ATOM 184 N VAL A 15 2.097 -7.829 0.022 1.00 0.00 N ATOM 185 CA VAL A 15 3.006 -8.369 -0.981 1.00 0.00 C ATOM 186 C VAL A 15 2.842 -7.650 -2.316 1.00 0.00 C ATOM 187 O VAL A 15 1.728 -7.318 -2.722 1.00 0.00 O ATOM 188 CB VAL A 15 2.777 -9.877 -1.192 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.095 -10.649 0.079 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.348 -10.141 -1.642 1.00 0.00 C ATOM 0 H VAL A 15 1.108 -7.953 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 15 4.018 -8.211 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 15 3.451 -10.222 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.927 -11.713 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.137 -10.485 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.449 -10.303 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.204 -11.212 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.655 -9.781 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.160 -9.620 -2.581 1.00 0.00 H new ATOM 200 N HIS A 16 3.960 -7.411 -2.994 1.00 0.00 N ATOM 201 CA HIS A 16 3.941 -6.732 -4.285 1.00 0.00 C ATOM 202 C HIS A 16 5.147 -7.134 -5.129 1.00 0.00 C ATOM 203 O HIS A 16 6.066 -7.793 -4.642 1.00 0.00 O ATOM 204 CB HIS A 16 3.925 -5.216 -4.086 1.00 0.00 C ATOM 205 CG HIS A 16 5.281 -4.630 -3.841 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.021 -4.894 -2.707 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.032 -3.790 -4.591 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.167 -4.240 -2.770 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.199 -3.563 -3.904 1.00 0.00 N ATOM 0 H HIS A 16 4.890 -7.677 -2.671 1.00 0.00 H new ATOM 0 HA HIS A 16 3.036 -7.032 -4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.489 -4.747 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.277 -4.975 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.763 -3.375 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.946 -4.256 -2.022 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.966 -2.968 -4.218 1.00 0.00 H new ATOM 218 N TYR A 17 5.136 -6.733 -6.395 1.00 0.00 N ATOM 219 CA TYR A 17 6.227 -7.055 -7.308 1.00 0.00 C ATOM 220 C TYR A 17 6.326 -6.020 -8.424 1.00 0.00 C ATOM 221 O TYR A 17 5.333 -5.397 -8.801 1.00 0.00 O ATOM 222 CB TYR A 17 6.026 -8.448 -7.905 1.00 0.00 C ATOM 223 CG TYR A 17 4.643 -8.669 -8.475 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.613 -9.156 -7.680 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.367 -8.392 -9.808 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.348 -9.361 -8.196 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.105 -8.592 -10.333 1.00 0.00 C ATOM 228 CZ TYR A 17 2.099 -9.077 -9.523 1.00 0.00 C ATOM 229 OH TYR A 17 0.840 -9.278 -10.042 1.00 0.00 O ATOM 0 H TYR A 17 4.384 -6.185 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 17 7.158 -7.041 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.764 -8.607 -8.692 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.216 -9.195 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.805 -9.378 -6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.153 -8.014 -10.445 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.559 -9.741 -7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.907 -8.370 -11.371 1.00 0.00 H new ATOM 0 HH TYR A 17 0.833 -9.028 -10.990 1.00 0.00 H new ATOM 239 N THR A 18 7.533 -5.841 -8.951 1.00 0.00 N ATOM 240 CA THR A 18 7.765 -4.882 -10.024 1.00 0.00 C ATOM 241 C THR A 18 7.453 -5.494 -11.385 1.00 0.00 C ATOM 242 O THR A 18 7.477 -6.714 -11.548 1.00 0.00 O ATOM 243 CB THR A 18 9.220 -4.377 -10.022 1.00 0.00 C ATOM 244 OG1 THR A 18 10.124 -5.487 -9.990 1.00 0.00 O ATOM 245 CG2 THR A 18 9.477 -3.473 -8.826 1.00 0.00 C ATOM 0 H THR A 18 8.366 -6.348 -8.652 1.00 0.00 H new ATOM 0 HA THR A 18 7.096 -4.040 -9.845 1.00 0.00 H new ATOM 0 HB THR A 18 9.383 -3.802 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.631 -6.315 -10.168 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.511 -3.129 -8.846 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.807 -2.614 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.297 -4.028 -7.905 1.00 0.00 H new ATOM 253 N SER A 19 7.162 -4.639 -12.360 1.00 0.00 N ATOM 254 CA SER A 19 6.843 -5.096 -13.708 1.00 0.00 C ATOM 255 C SER A 19 8.000 -5.896 -14.299 1.00 0.00 C ATOM 256 O SER A 19 7.798 -6.955 -14.892 1.00 0.00 O ATOM 257 CB SER A 19 6.518 -3.904 -14.610 1.00 0.00 C ATOM 258 OG SER A 19 6.234 -4.328 -15.932 1.00 0.00 O ATOM 0 H SER A 19 7.140 -3.626 -12.242 1.00 0.00 H new ATOM 0 HA SER A 19 5.969 -5.745 -13.648 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.663 -3.361 -14.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.359 -3.211 -14.620 1.00 0.00 H new ATOM 0 HG SER A 19 6.028 -3.548 -16.489 1.00 0.00 H new ATOM 264 N ARG A 20 9.213 -5.379 -14.132 1.00 0.00 N ATOM 265 CA ARG A 20 10.404 -6.043 -14.650 1.00 0.00 C ATOM 266 C ARG A 20 10.673 -7.343 -13.896 1.00 0.00 C ATOM 267 O ARG A 20 10.653 -8.426 -14.480 1.00 0.00 O ATOM 268 CB ARG A 20 11.617 -5.118 -14.542 1.00 0.00 C ATOM 269 CG ARG A 20 11.826 -4.243 -15.767 1.00 0.00 C ATOM 270 CD ARG A 20 10.897 -3.039 -15.756 1.00 0.00 C ATOM 271 NE ARG A 20 11.216 -2.092 -16.822 1.00 0.00 N ATOM 272 CZ ARG A 20 10.585 -0.936 -16.990 1.00 0.00 C ATOM 273 NH1 ARG A 20 9.606 -0.584 -16.167 1.00 0.00 N ATOM 274 NH2 ARG A 20 10.932 -0.127 -17.983 1.00 0.00 N ATOM 0 H ARG A 20 9.397 -4.503 -13.643 1.00 0.00 H new ATOM 0 HA ARG A 20 10.230 -6.281 -15.699 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.500 -4.480 -13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.510 -5.721 -14.380 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.862 -3.905 -15.802 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.652 -4.830 -16.669 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.866 -3.375 -15.866 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.967 -2.536 -14.791 1.00 0.00 H new ATOM 0 HE ARG A 20 11.964 -2.332 -17.472 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.336 -1.202 -15.402 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.123 0.305 -16.299 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.684 -0.393 -18.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.446 0.761 -18.111 1.00 0.00 H new ATOM 288 N ASP A 21 10.924 -7.225 -12.597 1.00 0.00 N ATOM 289 CA ASP A 21 11.197 -8.390 -11.763 1.00 0.00 C ATOM 290 C ASP A 21 9.931 -8.857 -11.051 1.00 0.00 C ATOM 291 O ASP A 21 9.313 -8.101 -10.303 1.00 0.00 O ATOM 292 CB ASP A 21 12.284 -8.066 -10.737 1.00 0.00 C ATOM 293 CG ASP A 21 13.486 -7.386 -11.362 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.327 -6.263 -11.884 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.585 -7.977 -11.328 1.00 0.00 O ATOM 0 H ASP A 21 10.944 -6.335 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 21 11.547 -9.195 -12.409 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.868 -7.422 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.604 -8.986 -10.248 1.00 0.00 H new ATOM 300 N ASN A 22 9.550 -10.108 -11.291 1.00 0.00 N ATOM 301 CA ASN A 22 8.356 -10.675 -10.674 1.00 0.00 C ATOM 302 C ASN A 22 8.699 -11.358 -9.353 1.00 0.00 C ATOM 303 O ASN A 22 8.182 -12.433 -9.045 1.00 0.00 O ATOM 304 CB ASN A 22 7.694 -11.677 -11.622 1.00 0.00 C ATOM 305 CG ASN A 22 8.618 -12.821 -11.992 1.00 0.00 C ATOM 306 OD1 ASN A 22 9.710 -12.607 -12.517 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.182 -14.045 -11.718 1.00 0.00 N ATOM 0 H ASN A 22 10.050 -10.748 -11.908 1.00 0.00 H new ATOM 0 HA ASN A 22 7.660 -9.861 -10.472 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.795 -12.077 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.378 -11.161 -12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.760 -14.855 -11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.269 -14.176 -11.282 1.00 0.00 H new ATOM 314 N LEU A 23 9.572 -10.727 -8.577 1.00 0.00 N ATOM 315 CA LEU A 23 9.984 -11.272 -7.288 1.00 0.00 C ATOM 316 C LEU A 23 9.130 -10.705 -6.159 1.00 0.00 C ATOM 317 O LEU A 23 9.493 -9.709 -5.532 1.00 0.00 O ATOM 318 CB LEU A 23 11.460 -10.965 -7.030 1.00 0.00 C ATOM 319 CG LEU A 23 12.133 -11.782 -5.926 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.288 -13.232 -6.355 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.484 -11.182 -5.567 1.00 0.00 C ATOM 0 H LEU A 23 10.009 -9.837 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 23 9.844 -12.353 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.011 -11.122 -7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.552 -9.908 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 23 11.499 -11.753 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.769 -13.798 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.306 -13.657 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.901 -13.282 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.948 -11.776 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.127 -11.180 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.346 -10.159 -5.216 1.00 0.00 H new ATOM 333 N ARG A 24 7.994 -11.346 -5.903 1.00 0.00 N ATOM 334 CA ARG A 24 7.089 -10.906 -4.849 1.00 0.00 C ATOM 335 C ARG A 24 7.863 -10.539 -3.586 1.00 0.00 C ATOM 336 O ARG A 24 8.810 -11.226 -3.203 1.00 0.00 O ATOM 337 CB ARG A 24 6.068 -12.001 -4.534 1.00 0.00 C ATOM 338 CG ARG A 24 5.135 -11.653 -3.385 1.00 0.00 C ATOM 339 CD ARG A 24 3.776 -12.314 -3.551 1.00 0.00 C ATOM 340 NE ARG A 24 3.891 -13.747 -3.806 1.00 0.00 N ATOM 341 CZ ARG A 24 4.046 -14.654 -2.848 1.00 0.00 C ATOM 342 NH1 ARG A 24 4.103 -14.278 -1.578 1.00 0.00 N ATOM 343 NH2 ARG A 24 4.144 -15.940 -3.159 1.00 0.00 N ATOM 0 H ARG A 24 7.679 -12.172 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 24 6.563 -10.019 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.474 -12.199 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.599 -12.922 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.582 -11.970 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.011 -10.571 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.182 -12.153 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.241 -11.841 -4.375 1.00 0.00 H new ATOM 0 HE ARG A 24 3.850 -14.069 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.028 -13.290 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.222 -14.976 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.100 -16.233 -4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.263 -16.635 -2.422 1.00 0.00 H new ATOM 357 N LYS A 25 7.453 -9.451 -2.942 1.00 0.00 N ATOM 358 CA LYS A 25 8.106 -8.992 -1.722 1.00 0.00 C ATOM 359 C LYS A 25 7.077 -8.656 -0.648 1.00 0.00 C ATOM 360 O LYS A 25 6.169 -7.856 -0.873 1.00 0.00 O ATOM 361 CB LYS A 25 8.973 -7.765 -2.014 1.00 0.00 C ATOM 362 CG LYS A 25 10.403 -8.108 -2.395 1.00 0.00 C ATOM 363 CD LYS A 25 11.191 -6.866 -2.777 1.00 0.00 C ATOM 364 CE LYS A 25 12.667 -7.180 -2.968 1.00 0.00 C ATOM 365 NZ LYS A 25 13.359 -7.406 -1.669 1.00 0.00 N ATOM 0 H LYS A 25 6.671 -8.871 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 25 8.740 -9.798 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.518 -7.193 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.985 -7.121 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.893 -8.608 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.400 -8.809 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.785 -6.445 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.076 -6.108 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.772 -8.066 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.148 -6.357 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.382 -7.499 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.181 -6.600 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.998 -8.277 -1.230 1.00 0.00 H new ATOM 379 N ARG A 26 7.226 -9.271 0.521 1.00 0.00 N ATOM 380 CA ARG A 26 6.309 -9.037 1.630 1.00 0.00 C ATOM 381 C ARG A 26 6.984 -8.223 2.730 1.00 0.00 C ATOM 382 O ARG A 26 8.051 -8.589 3.222 1.00 0.00 O ATOM 383 CB ARG A 26 5.811 -10.367 2.198 1.00 0.00 C ATOM 384 CG ARG A 26 4.687 -10.215 3.209 1.00 0.00 C ATOM 385 CD ARG A 26 4.674 -11.364 4.205 1.00 0.00 C ATOM 386 NE ARG A 26 4.286 -12.625 3.580 1.00 0.00 N ATOM 387 CZ ARG A 26 3.757 -13.644 4.247 1.00 0.00 C ATOM 388 NH1 ARG A 26 3.551 -13.550 5.554 1.00 0.00 N ATOM 389 NH2 ARG A 26 3.430 -14.760 3.608 1.00 0.00 N ATOM 0 H ARG A 26 7.973 -9.935 0.724 1.00 0.00 H new ATOM 0 HA ARG A 26 5.458 -8.470 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.467 -10.997 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.645 -10.886 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.801 -9.271 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.731 -10.173 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.663 -11.469 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.983 -11.133 5.016 1.00 0.00 H new ATOM 0 HE ARG A 26 4.429 -12.729 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.799 -12.693 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.144 -14.334 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.585 -14.836 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.024 -15.542 4.122 1.00 0.00 H new ATOM 403 N HIS A 27 6.354 -7.115 3.111 1.00 0.00 N ATOM 404 CA HIS A 27 6.894 -6.249 4.153 1.00 0.00 C ATOM 405 C HIS A 27 5.776 -5.486 4.857 1.00 0.00 C ATOM 406 O HIS A 27 4.660 -5.389 4.347 1.00 0.00 O ATOM 407 CB HIS A 27 7.902 -5.266 3.557 1.00 0.00 C ATOM 408 CG HIS A 27 8.964 -5.924 2.732 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.148 -5.659 1.391 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.903 -6.840 3.065 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.154 -6.384 0.935 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.630 -7.109 1.931 1.00 0.00 N ATOM 0 H HIS A 27 5.470 -6.797 2.714 1.00 0.00 H new ATOM 0 HA HIS A 27 7.401 -6.876 4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.370 -4.542 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.375 -4.708 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.053 -7.278 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.524 -6.384 -0.080 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.411 -7.763 1.868 1.00 0.00 H new ATOM 421 N TYR A 28 6.084 -4.947 6.032 1.00 0.00 N ATOM 422 CA TYR A 28 5.104 -4.195 6.807 1.00 0.00 C ATOM 423 C TYR A 28 4.741 -2.889 6.107 1.00 0.00 C ATOM 424 O TYR A 28 5.287 -1.831 6.421 1.00 0.00 O ATOM 425 CB TYR A 28 5.647 -3.902 8.207 1.00 0.00 C ATOM 426 CG TYR A 28 4.572 -3.801 9.265 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.723 -4.870 9.525 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.405 -2.637 10.005 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.738 -4.781 10.490 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.424 -2.540 10.973 1.00 0.00 C ATOM 431 CZ TYR A 28 2.593 -3.614 11.211 1.00 0.00 C ATOM 432 OH TYR A 28 1.614 -3.523 12.174 1.00 0.00 O ATOM 0 H TYR A 28 7.003 -5.017 6.468 1.00 0.00 H new ATOM 0 HA TYR A 28 4.203 -4.802 6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.348 -4.688 8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.209 -2.968 8.182 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.835 -5.786 8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.053 -1.793 9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.085 -5.620 10.679 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.309 -1.628 11.540 1.00 0.00 H new ATOM 0 HH TYR A 28 0.803 -3.974 11.859 1.00 0.00 H new ATOM 442 N TRP A 29 3.816 -2.972 5.158 1.00 0.00 N ATOM 443 CA TRP A 29 3.378 -1.797 4.413 1.00 0.00 C ATOM 444 C TRP A 29 2.708 -0.785 5.336 1.00 0.00 C ATOM 445 O TRP A 29 1.775 -1.120 6.066 1.00 0.00 O ATOM 446 CB TRP A 29 2.415 -2.204 3.298 1.00 0.00 C ATOM 447 CG TRP A 29 3.106 -2.559 2.016 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.199 -3.364 1.869 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.750 -2.117 0.701 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.545 -3.449 0.542 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.671 -2.695 -0.195 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.743 -1.293 0.193 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.614 -2.471 -1.568 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.687 -1.072 -1.170 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.617 -1.660 -2.038 1.00 0.00 C ATOM 0 H TRP A 29 3.355 -3.840 4.886 1.00 0.00 H new ATOM 0 HA TRP A 29 4.258 -1.330 3.971 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.824 -3.057 3.632 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.719 -1.386 3.113 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.716 -3.861 2.677 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.326 -3.987 0.167 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.021 -0.837 0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.331 -2.921 -2.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.913 -0.435 -1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.545 -1.469 -3.099 1.00 0.00 H new ATOM 466 N ARG A 30 3.190 0.453 5.300 1.00 0.00 N ATOM 467 CA ARG A 30 2.637 1.513 6.134 1.00 0.00 C ATOM 468 C ARG A 30 2.011 2.609 5.277 1.00 0.00 C ATOM 469 O ARG A 30 2.642 3.127 4.355 1.00 0.00 O ATOM 470 CB ARG A 30 3.727 2.109 7.027 1.00 0.00 C ATOM 471 CG ARG A 30 4.014 1.283 8.271 1.00 0.00 C ATOM 472 CD ARG A 30 3.155 1.727 9.445 1.00 0.00 C ATOM 473 NE ARG A 30 3.735 1.333 10.726 1.00 0.00 N ATOM 474 CZ ARG A 30 4.656 2.044 11.366 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.100 3.181 10.847 1.00 0.00 N ATOM 476 NH2 ARG A 30 5.134 1.620 12.529 1.00 0.00 N ATOM 0 H ARG A 30 3.962 0.747 4.702 1.00 0.00 H new ATOM 0 HA ARG A 30 1.859 1.078 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.645 2.209 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.429 3.113 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.828 0.230 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.068 1.374 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.036 2.810 9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.159 1.295 9.350 1.00 0.00 H new ATOM 0 HE ARG A 30 3.415 0.464 11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.734 3.511 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.807 3.725 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.794 0.747 12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.841 2.167 13.020 1.00 0.00 H new ATOM 490 N LEU A 31 0.768 2.958 5.588 1.00 0.00 N ATOM 491 CA LEU A 31 0.055 3.993 4.846 1.00 0.00 C ATOM 492 C LEU A 31 -0.582 5.002 5.796 1.00 0.00 C ATOM 493 O LEU A 31 -1.031 4.647 6.886 1.00 0.00 O ATOM 494 CB LEU A 31 -1.019 3.363 3.958 1.00 0.00 C ATOM 495 CG LEU A 31 -2.075 4.319 3.401 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.536 5.063 2.190 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.345 3.560 3.042 1.00 0.00 C ATOM 0 H LEU A 31 0.232 2.540 6.349 1.00 0.00 H new ATOM 0 HA LEU A 31 0.775 4.517 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.526 2.870 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.526 2.587 4.531 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.318 5.050 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.301 5.738 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.656 5.638 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.264 4.347 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.085 4.256 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.118 2.806 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.743 3.074 3.933 1.00 0.00 H new ATOM 509 N ASP A 32 -0.620 6.261 5.373 1.00 0.00 N ATOM 510 CA ASP A 32 -1.205 7.322 6.184 1.00 0.00 C ATOM 511 C ASP A 32 -1.600 8.514 5.318 1.00 0.00 C ATOM 512 O ASP A 32 -1.158 8.637 4.175 1.00 0.00 O ATOM 513 CB ASP A 32 -0.222 7.767 7.268 1.00 0.00 C ATOM 514 CG ASP A 32 1.224 7.596 6.843 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.735 6.460 6.921 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.843 8.599 6.431 1.00 0.00 O ATOM 0 H ASP A 32 -0.253 6.571 4.473 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.103 6.928 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.405 8.813 7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.402 7.191 8.176 1.00 0.00 H new ATOM 521 N SER A 33 -2.435 9.390 5.868 1.00 0.00 N ATOM 522 CA SER A 33 -2.892 10.569 5.144 1.00 0.00 C ATOM 523 C SER A 33 -1.710 11.405 4.663 1.00 0.00 C ATOM 524 O SER A 33 -1.861 12.289 3.820 1.00 0.00 O ATOM 525 CB SER A 33 -3.803 11.418 6.033 1.00 0.00 C ATOM 526 OG SER A 33 -4.378 12.487 5.301 1.00 0.00 O ATOM 0 H SER A 33 -2.809 9.305 6.813 1.00 0.00 H new ATOM 0 HA SER A 33 -3.455 10.234 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.592 10.794 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.231 11.814 6.872 1.00 0.00 H new ATOM 0 HG SER A 33 -3.797 12.716 4.546 1.00 0.00 H new ATOM 532 N LYS A 34 -0.531 11.117 5.205 1.00 0.00 N ATOM 533 CA LYS A 34 0.679 11.839 4.833 1.00 0.00 C ATOM 534 C LYS A 34 1.321 11.224 3.593 1.00 0.00 C ATOM 535 O LYS A 34 1.302 11.816 2.514 1.00 0.00 O ATOM 536 CB LYS A 34 1.678 11.834 5.993 1.00 0.00 C ATOM 537 CG LYS A 34 1.502 12.999 6.952 1.00 0.00 C ATOM 538 CD LYS A 34 1.917 14.314 6.315 1.00 0.00 C ATOM 539 CE LYS A 34 3.428 14.493 6.340 1.00 0.00 C ATOM 540 NZ LYS A 34 3.875 15.559 5.402 1.00 0.00 N ATOM 0 H LYS A 34 -0.388 10.388 5.904 1.00 0.00 H new ATOM 0 HA LYS A 34 0.402 12.868 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.575 10.900 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.690 11.856 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.460 13.059 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.096 12.825 7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.562 14.348 5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.443 15.141 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.748 14.742 7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.910 13.552 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.910 15.650 5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.592 15.309 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.435 16.463 5.669 1.00 0.00 H new ATOM 554 N CYS A 35 1.886 10.032 3.755 1.00 0.00 N ATOM 555 CA CYS A 35 2.532 9.336 2.648 1.00 0.00 C ATOM 556 C CYS A 35 2.664 7.846 2.946 1.00 0.00 C ATOM 557 O CYS A 35 2.557 7.420 4.097 1.00 0.00 O ATOM 558 CB CYS A 35 3.911 9.938 2.376 1.00 0.00 C ATOM 559 SG CYS A 35 4.771 9.204 0.964 1.00 0.00 S ATOM 0 H CYS A 35 1.910 9.528 4.642 1.00 0.00 H new ATOM 0 HA CYS A 35 1.909 9.457 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.801 11.009 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.529 9.820 3.266 1.00 0.00 H new ATOM 0 HG CYS A 35 3.903 8.670 0.157 1.00 0.00 H new ATOM 565 N LEU A 36 2.895 7.058 1.902 1.00 0.00 N ATOM 566 CA LEU A 36 3.039 5.614 2.051 1.00 0.00 C ATOM 567 C LEU A 36 4.510 5.222 2.150 1.00 0.00 C ATOM 568 O LEU A 36 5.331 5.632 1.329 1.00 0.00 O ATOM 569 CB LEU A 36 2.386 4.892 0.871 1.00 0.00 C ATOM 570 CG LEU A 36 2.633 3.385 0.786 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.624 2.630 1.638 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.571 2.915 -0.660 1.00 0.00 C ATOM 0 H LEU A 36 2.987 7.394 0.943 1.00 0.00 H new ATOM 0 HA LEU A 36 2.539 5.317 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.310 5.062 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.741 5.351 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 36 3.631 3.177 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.815 1.559 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.717 2.945 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.616 2.844 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.749 1.840 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.587 3.136 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.333 3.432 -1.244 1.00 0.00 H new ATOM 584 N THR A 37 4.837 4.422 3.161 1.00 0.00 N ATOM 585 CA THR A 37 6.208 3.973 3.368 1.00 0.00 C ATOM 586 C THR A 37 6.252 2.496 3.740 1.00 0.00 C ATOM 587 O THR A 37 5.340 1.980 4.389 1.00 0.00 O ATOM 588 CB THR A 37 6.906 4.790 4.472 1.00 0.00 C ATOM 589 OG1 THR A 37 6.574 6.177 4.340 1.00 0.00 O ATOM 590 CG2 THR A 37 8.415 4.616 4.401 1.00 0.00 C ATOM 0 H THR A 37 4.170 4.072 3.849 1.00 0.00 H new ATOM 0 HA THR A 37 6.736 4.124 2.426 1.00 0.00 H new ATOM 0 HB THR A 37 6.559 4.424 5.438 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.020 6.689 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.886 5.202 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.666 3.563 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.775 4.958 3.431 1.00 0.00 H new ATOM 598 N LEU A 38 7.317 1.818 3.327 1.00 0.00 N ATOM 599 CA LEU A 38 7.481 0.398 3.618 1.00 0.00 C ATOM 600 C LEU A 38 8.502 0.184 4.730 1.00 0.00 C ATOM 601 O LEU A 38 9.276 1.084 5.059 1.00 0.00 O ATOM 602 CB LEU A 38 7.916 -0.354 2.359 1.00 0.00 C ATOM 603 CG LEU A 38 6.791 -0.839 1.444 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.157 0.333 0.711 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.315 -1.869 0.454 1.00 0.00 C ATOM 0 H LEU A 38 8.080 2.229 2.789 1.00 0.00 H new ATOM 0 HA LEU A 38 6.520 0.008 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.573 0.296 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.508 -1.217 2.662 1.00 0.00 H new ATOM 0 HG LEU A 38 6.026 -1.313 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.359 -0.031 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.745 1.036 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.912 0.836 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.501 -2.203 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.099 -1.421 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.721 -2.722 0.997 1.00 0.00 H new ATOM 617 N PHE A 39 8.501 -1.014 5.306 1.00 0.00 N ATOM 618 CA PHE A 39 9.429 -1.347 6.380 1.00 0.00 C ATOM 619 C PHE A 39 10.073 -2.709 6.141 1.00 0.00 C ATOM 620 O PHE A 39 9.383 -3.724 6.047 1.00 0.00 O ATOM 621 CB PHE A 39 8.704 -1.343 7.728 1.00 0.00 C ATOM 622 CG PHE A 39 8.406 0.036 8.244 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.565 0.886 7.544 1.00 0.00 C ATOM 624 CD2 PHE A 39 8.968 0.482 9.430 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.289 2.155 8.017 1.00 0.00 C ATOM 626 CE2 PHE A 39 8.695 1.750 9.908 1.00 0.00 C ATOM 627 CZ PHE A 39 7.856 2.588 9.200 1.00 0.00 C ATOM 0 H PHE A 39 7.868 -1.770 5.047 1.00 0.00 H new ATOM 0 HA PHE A 39 10.214 -0.591 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.770 -1.896 7.631 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.313 -1.873 8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.120 0.553 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.626 -0.168 9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.631 2.807 7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.137 2.085 10.834 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.644 3.580 9.571 1.00 0.00 H new ATOM 637 N GLN A 40 11.398 -2.722 6.042 1.00 0.00 N ATOM 638 CA GLN A 40 12.135 -3.959 5.812 1.00 0.00 C ATOM 639 C GLN A 40 11.545 -5.104 6.628 1.00 0.00 C ATOM 640 O GLN A 40 11.209 -6.156 6.087 1.00 0.00 O ATOM 641 CB GLN A 40 13.611 -3.771 6.167 1.00 0.00 C ATOM 642 CG GLN A 40 14.410 -3.059 5.088 1.00 0.00 C ATOM 643 CD GLN A 40 15.892 -2.999 5.402 1.00 0.00 C ATOM 644 OE1 GLN A 40 16.393 -1.989 5.897 1.00 0.00 O ATOM 645 NE2 GLN A 40 16.602 -4.084 5.116 1.00 0.00 N ATOM 0 H GLN A 40 11.983 -1.890 6.117 1.00 0.00 H new ATOM 0 HA GLN A 40 12.052 -4.211 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.684 -3.204 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.058 -4.747 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.265 -3.571 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.027 -2.046 4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.145 -4.899 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.604 -4.103 5.306 1.00 0.00 H new ATOM 654 N ASN A 41 11.423 -4.891 7.935 1.00 0.00 N ATOM 655 CA ASN A 41 10.874 -5.906 8.826 1.00 0.00 C ATOM 656 C ASN A 41 10.521 -5.305 10.183 1.00 0.00 C ATOM 657 O ASN A 41 10.789 -4.132 10.441 1.00 0.00 O ATOM 658 CB ASN A 41 11.874 -7.050 9.007 1.00 0.00 C ATOM 659 CG ASN A 41 11.191 -8.380 9.264 1.00 0.00 C ATOM 660 OD1 ASN A 41 10.802 -8.682 10.392 1.00 0.00 O ATOM 661 ND2 ASN A 41 11.044 -9.181 8.215 1.00 0.00 N ATOM 0 H ASN A 41 11.697 -4.025 8.400 1.00 0.00 H new ATOM 0 HA ASN A 41 9.963 -6.297 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.495 -7.130 8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.539 -6.819 9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.593 -10.089 8.326 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.382 -8.888 7.298 1.00 0.00 H new ATOM 755 N TYR A 48 11.751 2.623 4.241 1.00 0.00 N ATOM 756 CA TYR A 48 12.000 1.705 3.135 1.00 0.00 C ATOM 757 C TYR A 48 11.856 2.417 1.793 1.00 0.00 C ATOM 758 O TYR A 48 12.597 2.145 0.849 1.00 0.00 O ATOM 759 CB TYR A 48 11.037 0.519 3.202 1.00 0.00 C ATOM 760 CG TYR A 48 11.351 -0.573 2.205 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.081 -0.406 0.853 1.00 0.00 C ATOM 762 CD2 TYR A 48 11.920 -1.773 2.616 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.365 -1.402 -0.061 1.00 0.00 C ATOM 764 CE2 TYR A 48 12.209 -2.774 1.709 1.00 0.00 C ATOM 765 CZ TYR A 48 11.930 -2.584 0.371 1.00 0.00 C ATOM 766 OH TYR A 48 12.216 -3.577 -0.536 1.00 0.00 O ATOM 0 HA TYR A 48 13.023 1.339 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.061 0.099 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.022 0.876 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.641 0.519 0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.140 -1.925 3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.146 -1.256 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.651 -3.700 2.045 1.00 0.00 H new ATOM 0 HH TYR A 48 12.611 -4.343 -0.069 1.00 0.00 H new ATOM 776 N LYS A 49 10.895 3.332 1.717 1.00 0.00 N ATOM 777 CA LYS A 49 10.651 4.086 0.493 1.00 0.00 C ATOM 778 C LYS A 49 9.617 5.183 0.727 1.00 0.00 C ATOM 779 O LYS A 49 8.782 5.079 1.624 1.00 0.00 O ATOM 780 CB LYS A 49 10.175 3.151 -0.620 1.00 0.00 C ATOM 781 CG LYS A 49 10.397 3.705 -2.017 1.00 0.00 C ATOM 782 CD LYS A 49 11.755 3.301 -2.568 1.00 0.00 C ATOM 783 CE LYS A 49 12.272 4.318 -3.574 1.00 0.00 C ATOM 784 NZ LYS A 49 12.757 5.559 -2.909 1.00 0.00 N ATOM 0 H LYS A 49 10.272 3.569 2.489 1.00 0.00 H new ATOM 0 HA LYS A 49 11.588 4.553 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.696 2.198 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.113 2.948 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.612 3.344 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.321 4.792 -1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.467 3.203 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.680 2.323 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.083 3.876 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.478 4.569 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.283 6.138 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.945 6.100 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.383 5.307 -2.117 1.00 0.00 H new ATOM 798 N GLU A 50 9.680 6.232 -0.087 1.00 0.00 N ATOM 799 CA GLU A 50 8.748 7.347 0.032 1.00 0.00 C ATOM 800 C GLU A 50 7.803 7.396 -1.164 1.00 0.00 C ATOM 801 O GLU A 50 8.195 7.789 -2.263 1.00 0.00 O ATOM 802 CB GLU A 50 9.512 8.669 0.147 1.00 0.00 C ATOM 803 CG GLU A 50 8.752 9.747 0.901 1.00 0.00 C ATOM 804 CD GLU A 50 9.557 11.021 1.066 1.00 0.00 C ATOM 805 OE1 GLU A 50 9.562 11.846 0.128 1.00 0.00 O ATOM 806 OE2 GLU A 50 10.182 11.194 2.133 1.00 0.00 O ATOM 0 H GLU A 50 10.366 6.333 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 50 8.156 7.198 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.462 8.487 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.745 9.033 -0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.827 9.972 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.472 9.369 1.884 1.00 0.00 H new ATOM 813 N ILE A 51 6.556 6.995 -0.942 1.00 0.00 N ATOM 814 CA ILE A 51 5.554 6.993 -2.001 1.00 0.00 C ATOM 815 C ILE A 51 4.436 7.986 -1.701 1.00 0.00 C ATOM 816 O ILE A 51 3.451 7.668 -1.035 1.00 0.00 O ATOM 817 CB ILE A 51 4.943 5.593 -2.195 1.00 0.00 C ATOM 818 CG1 ILE A 51 6.032 4.584 -2.566 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.862 5.631 -3.266 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.660 3.152 -2.253 1.00 0.00 C ATOM 0 H ILE A 51 6.215 6.667 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 51 6.063 7.288 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 51 4.487 5.278 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.249 4.670 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.948 4.838 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.439 4.634 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.076 6.323 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.296 5.963 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.478 2.492 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.472 3.050 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.762 2.880 -2.807 1.00 0.00 H new ATOM 832 N PRO A 52 4.589 9.219 -2.207 1.00 0.00 N ATOM 833 CA PRO A 52 3.601 10.284 -2.009 1.00 0.00 C ATOM 834 C PRO A 52 2.308 10.025 -2.774 1.00 0.00 C ATOM 835 O PRO A 52 2.328 9.777 -3.980 1.00 0.00 O ATOM 836 CB PRO A 52 4.306 11.528 -2.556 1.00 0.00 C ATOM 837 CG PRO A 52 5.291 11.002 -3.542 1.00 0.00 C ATOM 838 CD PRO A 52 5.738 9.669 -3.011 1.00 0.00 C ATOM 0 HA PRO A 52 3.300 10.372 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.598 12.209 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.801 12.085 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.838 10.897 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.136 11.682 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.963 8.970 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.641 9.759 -2.407 1.00 0.00 H new ATOM 846 N LEU A 53 1.186 10.085 -2.066 1.00 0.00 N ATOM 847 CA LEU A 53 -0.118 9.857 -2.680 1.00 0.00 C ATOM 848 C LEU A 53 -0.175 10.461 -4.079 1.00 0.00 C ATOM 849 O LEU A 53 -0.906 9.980 -4.945 1.00 0.00 O ATOM 850 CB LEU A 53 -1.225 10.454 -1.809 1.00 0.00 C ATOM 851 CG LEU A 53 -1.285 9.954 -0.365 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.119 10.895 0.491 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.850 8.542 -0.312 1.00 0.00 C ATOM 0 H LEU A 53 1.152 10.289 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.269 8.781 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.103 11.537 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.184 10.248 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.271 9.934 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.151 10.523 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.673 11.889 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.132 10.947 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.885 8.203 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.857 8.537 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.213 7.873 -0.891 1.00 0.00 H new ATOM 865 N SER A 54 0.602 11.518 -4.294 1.00 0.00 N ATOM 866 CA SER A 54 0.640 12.189 -5.587 1.00 0.00 C ATOM 867 C SER A 54 1.200 11.265 -6.664 1.00 0.00 C ATOM 868 O SER A 54 0.518 10.941 -7.635 1.00 0.00 O ATOM 869 CB SER A 54 1.485 13.462 -5.501 1.00 0.00 C ATOM 870 OG SER A 54 2.757 13.191 -4.939 1.00 0.00 O ATOM 0 H SER A 54 1.214 11.928 -3.588 1.00 0.00 H new ATOM 0 HA SER A 54 -0.381 12.457 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.607 13.890 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.967 14.206 -4.896 1.00 0.00 H new ATOM 0 HG SER A 54 3.279 14.019 -4.896 1.00 0.00 H new ATOM 876 N GLU A 55 2.448 10.843 -6.482 1.00 0.00 N ATOM 877 CA GLU A 55 3.101 9.956 -7.437 1.00 0.00 C ATOM 878 C GLU A 55 2.098 8.982 -8.048 1.00 0.00 C ATOM 879 O GLU A 55 1.975 8.886 -9.270 1.00 0.00 O ATOM 880 CB GLU A 55 4.232 9.181 -6.757 1.00 0.00 C ATOM 881 CG GLU A 55 5.577 9.884 -6.825 1.00 0.00 C ATOM 882 CD GLU A 55 6.090 10.027 -8.245 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.666 10.977 -8.937 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.915 9.189 -8.665 1.00 0.00 O ATOM 0 H GLU A 55 3.026 11.101 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 55 3.519 10.569 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.970 9.015 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.320 8.200 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.489 10.872 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.304 9.327 -6.234 1.00 0.00 H new ATOM 891 N ILE A 56 1.384 8.260 -7.190 1.00 0.00 N ATOM 892 CA ILE A 56 0.392 7.294 -7.645 1.00 0.00 C ATOM 893 C ILE A 56 -0.603 7.938 -8.604 1.00 0.00 C ATOM 894 O ILE A 56 -1.540 8.617 -8.181 1.00 0.00 O ATOM 895 CB ILE A 56 -0.377 6.678 -6.462 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.591 5.977 -5.506 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.431 5.704 -6.966 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.083 5.899 -4.083 1.00 0.00 C ATOM 0 H ILE A 56 1.474 8.326 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 56 0.935 6.505 -8.165 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.880 7.478 -5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.783 4.968 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.544 6.505 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.966 5.277 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.134 6.231 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.949 4.906 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.819 5.390 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.082 6.906 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.855 5.345 -4.061 1.00 0.00 H new ATOM 910 N LEU A 57 -0.395 7.720 -9.898 1.00 0.00 N ATOM 911 CA LEU A 57 -1.276 8.277 -10.919 1.00 0.00 C ATOM 912 C LEU A 57 -2.682 7.698 -10.800 1.00 0.00 C ATOM 913 O LEU A 57 -3.636 8.416 -10.499 1.00 0.00 O ATOM 914 CB LEU A 57 -0.713 7.998 -12.313 1.00 0.00 C ATOM 915 CG LEU A 57 0.680 8.561 -12.600 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.357 7.771 -13.709 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.594 10.035 -12.969 1.00 0.00 C ATOM 0 H LEU A 57 0.376 7.162 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.333 9.355 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.684 6.919 -12.462 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.406 8.403 -13.050 1.00 0.00 H new ATOM 0 HG LEU A 57 1.282 8.468 -11.696 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.347 8.186 -13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.453 6.728 -13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.757 7.832 -14.617 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.594 10.419 -13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.025 10.152 -13.859 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.151 10.592 -12.143 1.00 0.00 H new ATOM 929 N ARG A 58 -2.802 6.396 -11.037 1.00 0.00 N ATOM 930 CA ARG A 58 -4.091 5.720 -10.956 1.00 0.00 C ATOM 931 C ARG A 58 -3.910 4.241 -10.631 1.00 0.00 C ATOM 932 O ARG A 58 -2.806 3.704 -10.729 1.00 0.00 O ATOM 933 CB ARG A 58 -4.855 5.874 -12.272 1.00 0.00 C ATOM 934 CG ARG A 58 -6.366 5.891 -12.102 1.00 0.00 C ATOM 935 CD ARG A 58 -7.077 5.983 -13.442 1.00 0.00 C ATOM 936 NE ARG A 58 -8.497 5.659 -13.332 1.00 0.00 N ATOM 937 CZ ARG A 58 -9.323 5.614 -14.371 1.00 0.00 C ATOM 938 NH1 ARG A 58 -8.873 5.870 -15.592 1.00 0.00 N ATOM 939 NH2 ARG A 58 -10.602 5.311 -14.191 1.00 0.00 N ATOM 0 H ARG A 58 -2.022 5.788 -11.287 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.666 6.183 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.542 6.798 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.582 5.056 -12.938 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.685 4.988 -11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.653 6.737 -11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.965 6.990 -13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.604 5.303 -14.151 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.875 5.456 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.890 6.102 -15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.510 5.835 -16.388 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.952 5.112 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.235 5.277 -14.990 1.00 0.00 H new ATOM 953 N ILE A 59 -5.000 3.587 -10.244 1.00 0.00 N ATOM 954 CA ILE A 59 -4.961 2.170 -9.905 1.00 0.00 C ATOM 955 C ILE A 59 -5.553 1.321 -11.025 1.00 0.00 C ATOM 956 O ILE A 59 -6.748 1.398 -11.311 1.00 0.00 O ATOM 957 CB ILE A 59 -5.725 1.882 -8.599 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.122 2.682 -7.443 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.702 0.393 -8.289 1.00 0.00 C ATOM 960 CD1 ILE A 59 -3.674 2.342 -7.164 1.00 0.00 C ATOM 0 H ILE A 59 -5.921 4.016 -10.157 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.912 1.907 -9.768 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.763 2.190 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.200 3.746 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.709 2.503 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.246 0.206 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.173 -0.156 -9.104 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.670 0.061 -8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.312 2.947 -6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.591 1.286 -6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.074 2.548 -8.051 1.00 0.00 H new ATOM 972 N SER A 60 -4.709 0.509 -11.654 1.00 0.00 N ATOM 973 CA SER A 60 -5.148 -0.354 -12.744 1.00 0.00 C ATOM 974 C SER A 60 -6.071 -1.454 -12.228 1.00 0.00 C ATOM 975 O SER A 60 -6.390 -1.506 -11.040 1.00 0.00 O ATOM 976 CB SER A 60 -3.940 -0.976 -13.448 1.00 0.00 C ATOM 977 OG SER A 60 -4.332 -1.653 -14.630 1.00 0.00 O ATOM 0 H SER A 60 -3.718 0.431 -11.427 1.00 0.00 H new ATOM 0 HA SER A 60 -5.702 0.256 -13.457 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.217 -0.198 -13.693 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.441 -1.673 -12.774 1.00 0.00 H new ATOM 0 HG SER A 60 -3.542 -2.040 -15.062 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.378 -10.818 -8.791 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.370 -9.545 -8.079 1.00 0.00 C ATOM 1187 C HIS A 75 -4.727 -8.855 -8.183 1.00 0.00 C ATOM 1188 O HIS A 75 -5.449 -9.031 -9.165 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.276 -8.632 -8.634 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.388 -8.392 -10.109 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.152 -9.372 -11.050 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.715 -7.277 -10.802 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.327 -8.868 -12.259 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.670 -7.599 -12.136 1.00 0.00 N ATOM 0 HA HIS A 75 -3.165 -9.747 -7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.315 -7.675 -8.114 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.303 -9.072 -8.419 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.965 -6.313 -10.384 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.209 -9.403 -13.190 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.869 -6.961 -12.907 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.066 -8.071 -7.166 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.338 -7.356 -7.144 1.00 0.00 C ATOM 1205 C CYS A 76 -6.222 -6.018 -7.865 1.00 0.00 C ATOM 1206 O CYS A 76 -7.116 -5.625 -8.615 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.796 -7.134 -5.702 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.467 -6.460 -5.553 1.00 0.00 S ATOM 0 H CYS A 76 -4.479 -7.914 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.078 -7.965 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.750 -8.083 -5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.098 -6.457 -5.211 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.764 -6.310 -4.296 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.114 -5.320 -7.634 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.882 -4.024 -8.260 1.00 0.00 C ATOM 1216 C PHE A 77 -3.391 -3.785 -8.479 1.00 0.00 C ATOM 1217 O PHE A 77 -2.559 -4.616 -8.115 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.467 -2.905 -7.396 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.778 -2.748 -6.070 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.116 -3.559 -4.999 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.794 -1.789 -5.895 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.484 -3.418 -3.778 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.158 -1.643 -4.677 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.504 -2.458 -3.617 1.00 0.00 C ATOM 0 H PHE A 77 -4.363 -5.631 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.379 -4.023 -9.230 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.404 -1.964 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.525 -3.104 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.882 -4.310 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.521 -1.148 -6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.756 -4.057 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.391 -0.892 -4.554 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.009 -2.345 -2.664 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.062 -2.645 -9.079 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.672 -2.298 -9.349 1.00 0.00 C ATOM 1236 C GLU A 78 -1.436 -0.804 -9.148 1.00 0.00 C ATOM 1237 O GLU A 78 -2.248 0.024 -9.560 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.291 -2.699 -10.775 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.695 -4.118 -11.137 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.906 -4.303 -12.628 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.072 -3.801 -13.411 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.904 -4.948 -13.011 1.00 0.00 O ATOM 0 H GLU A 78 -3.739 -1.947 -9.387 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.044 -2.845 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.759 -2.007 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.213 -2.595 -10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.925 -4.809 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.613 -4.376 -10.609 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.318 -0.468 -8.513 1.00 0.00 N ATOM 1250 CA ILE A 79 0.026 0.925 -8.258 1.00 0.00 C ATOM 1251 C ILE A 79 0.947 1.472 -9.344 1.00 0.00 C ATOM 1252 O ILE A 79 2.152 1.220 -9.335 1.00 0.00 O ATOM 1253 CB ILE A 79 0.709 1.095 -6.888 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.184 0.542 -5.776 1.00 0.00 C ATOM 1255 CG2 ILE A 79 1.033 2.560 -6.636 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.488 0.506 -4.422 1.00 0.00 C ATOM 0 H ILE A 79 0.365 -1.142 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.909 1.486 -8.261 1.00 0.00 H new ATOM 0 HB ILE A 79 1.642 0.532 -6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.086 1.151 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.500 -0.467 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.515 2.664 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.704 2.923 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.112 3.144 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.204 0.103 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.374 -0.127 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.779 1.516 -4.133 1.00 0.00 H new ATOM 1268 N ILE A 80 0.371 2.222 -10.278 1.00 0.00 N ATOM 1269 CA ILE A 80 1.141 2.807 -11.369 1.00 0.00 C ATOM 1270 C ILE A 80 1.670 4.186 -10.991 1.00 0.00 C ATOM 1271 O ILE A 80 0.934 5.174 -11.015 1.00 0.00 O ATOM 1272 CB ILE A 80 0.297 2.926 -12.652 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.117 1.539 -13.147 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.074 3.669 -13.729 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.434 1.062 -12.577 1.00 0.00 C ATOM 0 H ILE A 80 -0.625 2.439 -10.301 1.00 0.00 H new ATOM 0 HA ILE A 80 1.981 2.138 -11.557 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.605 3.494 -12.425 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.186 1.556 -14.235 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.662 0.822 -12.888 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.465 3.745 -14.630 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.323 4.669 -13.374 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.991 3.126 -13.956 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.664 0.072 -12.971 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.363 1.012 -11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.225 1.757 -12.858 1.00 0.00 H new ATOM 1287 N THR A 81 2.951 4.248 -10.643 1.00 0.00 N ATOM 1288 CA THR A 81 3.580 5.506 -10.260 1.00 0.00 C ATOM 1289 C THR A 81 4.578 5.965 -11.317 1.00 0.00 C ATOM 1290 O THR A 81 5.260 5.149 -11.937 1.00 0.00 O ATOM 1291 CB THR A 81 4.303 5.384 -8.906 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.354 4.415 -8.997 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.330 4.982 -7.807 1.00 0.00 C ATOM 0 H THR A 81 3.574 3.441 -10.618 1.00 0.00 H new ATOM 0 HA THR A 81 2.783 6.244 -10.172 1.00 0.00 H new ATOM 0 HB THR A 81 4.727 6.357 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.404 4.072 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.864 4.902 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.548 5.736 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.881 4.020 -8.053 1.00 0.00 H new ATOM 1301 N ASP A 82 4.660 7.276 -11.517 1.00 0.00 N ATOM 1302 CA ASP A 82 5.577 7.844 -12.498 1.00 0.00 C ATOM 1303 C ASP A 82 6.862 7.026 -12.578 1.00 0.00 C ATOM 1304 O ASP A 82 7.238 6.542 -13.646 1.00 0.00 O ATOM 1305 CB ASP A 82 5.902 9.296 -12.142 1.00 0.00 C ATOM 1306 CG ASP A 82 6.198 10.139 -13.367 1.00 0.00 C ATOM 1307 OD1 ASP A 82 7.269 9.941 -13.979 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.359 10.996 -13.713 1.00 0.00 O ATOM 0 H ASP A 82 4.102 7.965 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 82 5.090 7.817 -13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.063 9.731 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.761 9.319 -11.472 1.00 0.00 H new ATOM 1313 N THR A 83 7.534 6.876 -11.440 1.00 0.00 N ATOM 1314 CA THR A 83 8.778 6.119 -11.381 1.00 0.00 C ATOM 1315 C THR A 83 8.639 4.778 -12.092 1.00 0.00 C ATOM 1316 O THR A 83 9.361 4.494 -13.047 1.00 0.00 O ATOM 1317 CB THR A 83 9.218 5.874 -9.926 1.00 0.00 C ATOM 1318 OG1 THR A 83 10.264 4.897 -9.888 1.00 0.00 O ATOM 1319 CG2 THR A 83 8.046 5.401 -9.079 1.00 0.00 C ATOM 0 H THR A 83 7.237 7.269 -10.547 1.00 0.00 H new ATOM 0 HA THR A 83 9.537 6.717 -11.885 1.00 0.00 H new ATOM 0 HB THR A 83 9.585 6.815 -9.518 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.539 4.748 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.381 5.234 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.263 6.159 -9.086 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.654 4.470 -9.488 1.00 0.00 H new ATOM 1327 N MET A 84 7.708 3.957 -11.619 1.00 0.00 N ATOM 1328 CA MET A 84 7.474 2.645 -12.211 1.00 0.00 C ATOM 1329 C MET A 84 6.127 2.081 -11.771 1.00 0.00 C ATOM 1330 O MET A 84 5.481 2.620 -10.872 1.00 0.00 O ATOM 1331 CB MET A 84 8.595 1.679 -11.823 1.00 0.00 C ATOM 1332 CG MET A 84 8.776 1.530 -10.321 1.00 0.00 C ATOM 1333 SD MET A 84 10.480 1.161 -9.860 1.00 0.00 S ATOM 1334 CE MET A 84 10.807 -0.269 -10.888 1.00 0.00 C ATOM 0 H MET A 84 7.103 4.177 -10.828 1.00 0.00 H new ATOM 0 HA MET A 84 7.463 2.761 -13.295 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.385 0.700 -12.254 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.531 2.027 -12.261 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.461 2.450 -9.828 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.125 0.735 -9.958 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.744 -0.732 -10.580 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.995 -0.988 -10.781 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.882 0.041 -11.930 1.00 0.00 H new ATOM 1344 N VAL A 85 5.707 0.994 -12.410 1.00 0.00 N ATOM 1345 CA VAL A 85 4.437 0.357 -12.083 1.00 0.00 C ATOM 1346 C VAL A 85 4.631 -0.772 -11.077 1.00 0.00 C ATOM 1347 O VAL A 85 5.585 -1.544 -11.172 1.00 0.00 O ATOM 1348 CB VAL A 85 3.750 -0.204 -13.342 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.466 -0.930 -12.971 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.473 0.911 -14.339 1.00 0.00 C ATOM 0 H VAL A 85 6.228 0.536 -13.158 1.00 0.00 H new ATOM 0 HA VAL A 85 3.801 1.126 -11.643 1.00 0.00 H new ATOM 0 HB VAL A 85 4.422 -0.922 -13.812 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.995 -1.319 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.696 -1.755 -12.297 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.786 -0.237 -12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.987 0.497 -15.223 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.820 1.655 -13.881 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.412 1.382 -14.629 1.00 0.00 H new ATOM 1360 N TYR A 86 3.720 -0.862 -10.115 1.00 0.00 N ATOM 1361 CA TYR A 86 3.791 -1.896 -9.089 1.00 0.00 C ATOM 1362 C TYR A 86 2.502 -2.711 -9.046 1.00 0.00 C ATOM 1363 O TYR A 86 1.430 -2.217 -9.395 1.00 0.00 O ATOM 1364 CB TYR A 86 4.057 -1.269 -7.720 1.00 0.00 C ATOM 1365 CG TYR A 86 5.268 -0.364 -7.693 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.549 -0.881 -7.839 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.131 1.008 -7.521 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.659 -0.058 -7.815 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.234 1.839 -7.497 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.496 1.301 -7.644 1.00 0.00 C ATOM 1371 OH TYR A 86 8.598 2.125 -7.619 1.00 0.00 O ATOM 0 H TYR A 86 2.923 -0.231 -10.024 1.00 0.00 H new ATOM 0 HA TYR A 86 4.614 -2.565 -9.341 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.180 -0.698 -7.415 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.191 -2.063 -6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.680 -1.945 -7.974 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.145 1.432 -7.404 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.648 -0.476 -7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.109 2.904 -7.364 1.00 0.00 H new ATOM 0 HH TYR A 86 9.357 1.670 -8.040 1.00 0.00 H new ATOM 1381 N PHE A 87 2.615 -3.963 -8.615 1.00 0.00 N ATOM 1382 CA PHE A 87 1.460 -4.848 -8.526 1.00 0.00 C ATOM 1383 C PHE A 87 1.296 -5.388 -7.108 1.00 0.00 C ATOM 1384 O PHE A 87 2.184 -6.057 -6.580 1.00 0.00 O ATOM 1385 CB PHE A 87 1.603 -6.009 -9.513 1.00 0.00 C ATOM 1386 CG PHE A 87 1.801 -5.567 -10.934 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.926 -4.845 -11.299 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.862 -5.874 -11.906 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.109 -4.437 -12.607 1.00 0.00 C ATOM 1390 CE2 PHE A 87 1.040 -5.468 -13.215 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.166 -4.750 -13.566 1.00 0.00 C ATOM 0 H PHE A 87 3.495 -4.387 -8.322 1.00 0.00 H new ATOM 0 HA PHE A 87 0.571 -4.271 -8.781 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.448 -6.629 -9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.713 -6.635 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.668 -4.598 -10.554 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.019 -6.437 -11.637 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.989 -3.874 -12.879 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.299 -5.712 -13.962 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.309 -4.434 -14.589 1.00 0.00 H new ATOM 1401 N VAL A 88 0.154 -5.091 -6.497 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.128 -5.546 -5.141 1.00 0.00 C ATOM 1403 C VAL A 88 -1.404 -6.379 -5.094 1.00 0.00 C ATOM 1404 O VAL A 88 -2.374 -6.086 -5.791 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.267 -4.360 -4.168 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.516 -4.856 -2.752 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.972 -3.478 -4.223 1.00 0.00 C ATOM 0 H VAL A 88 -0.591 -4.537 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 88 0.716 -6.163 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.125 -3.761 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.611 -4.004 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.435 -5.442 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.320 -5.479 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.857 -2.645 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.848 -4.064 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.100 -3.093 -5.235 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.395 -7.420 -4.267 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.558 -8.279 -4.144 1.00 0.00 C ATOM 1419 C GLY A 89 -2.193 -9.751 -4.142 1.00 0.00 C ATOM 1420 O GLY A 89 -1.531 -10.233 -5.060 1.00 0.00 O ATOM 0 H GLY A 89 -0.603 -7.684 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.088 -8.038 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.243 -8.079 -4.968 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.626 -10.465 -3.108 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.338 -11.890 -2.990 1.00 0.00 C ATOM 1426 C GLU A 90 -3.618 -12.686 -2.753 1.00 0.00 C ATOM 1427 O GLU A 90 -4.273 -12.535 -1.723 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.349 -12.140 -1.850 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.188 -13.609 -1.496 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.287 -13.825 -0.295 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.588 -12.969 -0.048 1.00 0.00 O ATOM 1432 OE2 GLU A 90 -0.458 -14.850 0.398 1.00 0.00 O ATOM 0 H GLU A 90 -3.177 -10.081 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.892 -12.224 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.377 -11.733 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.681 -11.596 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.169 -14.039 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.778 -14.143 -2.354 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.968 -13.533 -3.716 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.170 -14.352 -3.613 1.00 0.00 C ATOM 1441 C ASN A 91 -4.813 -15.833 -3.530 1.00 0.00 C ATOM 1442 O ASN A 91 -4.266 -16.403 -4.473 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.086 -14.103 -4.812 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.444 -14.758 -4.649 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.554 -15.984 -4.615 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.487 -13.942 -4.547 1.00 0.00 N ATOM 0 H ASN A 91 -3.437 -13.670 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.694 -14.071 -2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.218 -13.030 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.609 -14.483 -5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.426 -14.325 -4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.349 -12.932 -4.580 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.749 -12.499 1.435 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.085 -12.707 0.907 1.00 0.00 C ATOM 1648 C GLY A 107 -6.574 -11.530 0.087 1.00 0.00 C ATOM 1649 O GLY A 107 -5.850 -10.553 -0.104 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.092 -13.605 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.775 -12.883 1.732 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.806 -11.623 -0.401 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.392 -10.558 -1.208 1.00 0.00 C ATOM 1655 C LEU A 108 -8.993 -9.472 -0.322 1.00 0.00 C ATOM 1656 O LEU A 108 -8.671 -8.292 -0.465 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.466 -11.127 -2.136 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.328 -10.101 -2.874 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.567 -9.514 -4.053 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.631 -10.734 -3.339 1.00 0.00 C ATOM 0 H LEU A 108 -8.419 -12.425 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.599 -10.113 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.979 -11.762 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.123 -11.768 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.567 -9.292 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.196 -8.786 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.662 -9.023 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.297 -10.312 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.231 -9.989 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.413 -11.562 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.184 -11.104 -2.476 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.864 -9.878 0.595 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.508 -8.939 1.507 1.00 0.00 C ATOM 1674 C ASP A 109 -9.499 -7.931 2.050 1.00 0.00 C ATOM 1675 O ASP A 109 -9.703 -6.721 1.954 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.169 -9.691 2.663 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.929 -8.767 3.595 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -11.380 -7.704 3.955 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -13.072 -9.107 3.964 1.00 0.00 O ATOM 0 H ASP A 109 -10.141 -10.851 0.727 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.273 -8.397 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.852 -10.440 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.406 -10.226 3.229 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.411 -8.439 2.620 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.371 -7.583 3.178 1.00 0.00 C ATOM 1686 C VAL A 110 -6.927 -6.529 2.171 1.00 0.00 C ATOM 1687 O VAL A 110 -6.705 -5.372 2.525 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.145 -8.405 3.620 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.575 -9.186 2.445 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.088 -7.498 4.231 1.00 0.00 C ATOM 0 H VAL A 110 -8.227 -9.438 2.707 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.801 -7.089 4.049 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.462 -9.119 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.710 -9.761 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.334 -9.865 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.272 -8.493 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.229 -8.095 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.772 -6.760 3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.504 -6.988 5.100 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.800 -6.938 0.912 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.384 -6.028 -0.148 1.00 0.00 C ATOM 1702 C ALA A 111 -7.446 -4.965 -0.406 1.00 0.00 C ATOM 1703 O ALA A 111 -7.135 -3.779 -0.514 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.091 -6.804 -1.424 1.00 0.00 C ATOM 0 H ALA A 111 -6.979 -7.893 0.602 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.473 -5.524 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.781 -6.112 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.293 -7.522 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.989 -7.334 -1.742 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.699 -5.397 -0.505 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.806 -4.481 -0.752 1.00 0.00 C ATOM 1712 C GLN A 112 -9.668 -3.220 0.096 1.00 0.00 C ATOM 1713 O GLN A 112 -9.890 -2.110 -0.386 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.140 -5.167 -0.454 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.513 -6.238 -1.466 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.991 -6.575 -1.442 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.779 -5.915 -0.763 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.376 -7.606 -2.184 1.00 0.00 N ATOM 0 H GLN A 112 -8.973 -6.376 -0.418 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.780 -4.195 -1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.094 -5.616 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.928 -4.414 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.238 -5.900 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.935 -7.140 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.689 -8.125 -2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.358 -7.879 -2.207 1.00 0.00 H new ATOM 1727 N SER A 113 -9.301 -3.400 1.360 1.00 0.00 N ATOM 1728 CA SER A 113 -9.138 -2.277 2.276 1.00 0.00 C ATOM 1729 C SER A 113 -8.017 -1.354 1.809 1.00 0.00 C ATOM 1730 O SER A 113 -8.163 -0.132 1.812 1.00 0.00 O ATOM 1731 CB SER A 113 -8.841 -2.783 3.689 1.00 0.00 C ATOM 1732 OG SER A 113 -9.847 -3.679 4.131 1.00 0.00 O ATOM 0 H SER A 113 -9.111 -4.313 1.774 1.00 0.00 H new ATOM 0 HA SER A 113 -10.070 -1.712 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.872 -3.283 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.775 -1.938 4.375 1.00 0.00 H new ATOM 0 HG SER A 113 -9.634 -3.990 5.036 1.00 0.00 H new ATOM 1738 N TRP A 114 -6.898 -1.948 1.409 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.751 -1.179 0.939 1.00 0.00 C ATOM 1740 C TRP A 114 -6.107 -0.376 -0.307 1.00 0.00 C ATOM 1741 O TRP A 114 -5.754 0.797 -0.422 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.574 -2.110 0.642 1.00 0.00 C ATOM 1743 CG TRP A 114 -3.782 -2.473 1.861 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -3.918 -3.599 2.622 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -2.732 -1.706 2.460 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.016 -3.578 3.659 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.276 -2.428 3.581 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.131 -0.481 2.158 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.249 -1.962 4.398 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.112 -0.020 2.971 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.679 -0.760 4.079 1.00 0.00 C ATOM 0 H TRP A 114 -6.761 -2.959 1.401 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.465 -0.483 1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -4.949 -3.021 0.177 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.915 -1.631 -0.082 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.630 -4.390 2.436 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -2.914 -4.301 4.371 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.457 0.095 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -0.914 -2.530 5.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.642 0.926 2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 114 0.121 -0.374 4.694 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.809 -1.016 -1.238 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.212 -0.360 -2.476 1.00 0.00 C ATOM 1764 C GLU A 115 -8.069 0.869 -2.186 1.00 0.00 C ATOM 1765 O GLU A 115 -7.794 1.963 -2.681 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.984 -1.335 -3.368 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.617 -0.677 -4.583 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.887 -1.375 -5.029 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.945 -2.619 -4.931 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -10.822 -0.678 -5.475 1.00 0.00 O ATOM 0 H GLU A 115 -7.110 -1.987 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.310 -0.038 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.308 -2.122 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.764 -1.815 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.841 0.364 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.901 -0.674 -5.405 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.109 0.681 -1.381 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.007 1.773 -1.024 1.00 0.00 C ATOM 1779 C LYS A 116 -9.255 2.878 -0.289 1.00 0.00 C ATOM 1780 O LYS A 116 -9.443 4.062 -0.569 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.152 1.254 -0.151 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.354 0.775 -0.946 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.228 1.936 -1.390 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.213 2.338 -0.304 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.617 3.767 -0.423 1.00 0.00 N ATOM 0 H LYS A 116 -9.351 -0.218 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.418 2.187 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.785 0.434 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.468 2.046 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.015 0.219 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.942 0.087 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.599 2.789 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.773 1.659 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.098 1.704 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.764 2.168 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.289 4.002 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.776 4.373 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.068 3.924 -1.347 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.401 2.484 0.650 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.618 3.441 1.421 1.00 0.00 C ATOM 1801 C ALA A 117 -6.701 4.256 0.516 1.00 0.00 C ATOM 1802 O ALA A 117 -6.770 5.485 0.491 1.00 0.00 O ATOM 1803 CB ALA A 117 -6.806 2.721 2.488 1.00 0.00 C ATOM 0 H ALA A 117 -8.234 1.508 0.895 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.309 4.129 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.226 3.448 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.479 2.189 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.130 2.010 2.013 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.842 3.564 -0.226 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.911 4.225 -1.132 1.00 0.00 C ATOM 1811 C ILE A 118 -5.649 5.126 -2.117 1.00 0.00 C ATOM 1812 O ILE A 118 -5.246 6.265 -2.354 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.071 3.203 -1.920 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.252 2.336 -0.962 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.160 3.915 -2.909 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.753 1.052 -1.585 1.00 0.00 C ATOM 0 H ILE A 118 -5.772 2.546 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.247 4.831 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.746 2.555 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.399 2.912 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.862 2.095 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.573 3.179 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.764 4.493 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.490 4.584 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.181 0.488 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.602 0.455 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.116 1.285 -2.438 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.733 4.609 -2.685 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.529 5.367 -3.644 1.00 0.00 C ATOM 1830 C ARG A 119 -8.141 6.601 -2.987 1.00 0.00 C ATOM 1831 O ARG A 119 -7.889 7.729 -3.409 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.634 4.488 -4.230 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.370 5.130 -5.395 1.00 0.00 C ATOM 1834 CD ARG A 119 -10.085 4.090 -6.244 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.560 4.649 -7.507 1.00 0.00 N ATOM 1836 CZ ARG A 119 -9.799 4.773 -8.588 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -8.533 4.381 -8.561 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -10.305 5.291 -9.701 1.00 0.00 N ATOM 0 H ARG A 119 -7.081 3.668 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.869 5.693 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.199 3.545 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.352 4.250 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -10.094 5.852 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.663 5.682 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.409 3.260 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.929 3.685 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.529 4.961 -7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.141 3.983 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.951 4.478 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.279 5.594 -9.726 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.720 5.386 -10.531 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.945 6.377 -1.953 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.593 7.471 -1.239 1.00 0.00 C ATOM 1854 C GLN A 120 -8.580 8.542 -0.848 1.00 0.00 C ATOM 1855 O GLN A 120 -8.832 9.736 -1.008 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.303 6.944 0.009 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.404 7.861 0.516 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.700 7.658 1.989 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -11.282 8.451 2.833 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.427 6.593 2.306 1.00 0.00 N ATOM 0 H GLN A 120 -9.163 5.449 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.330 7.920 -1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.730 5.966 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.568 6.800 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -11.114 8.898 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -12.312 7.686 -0.061 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.753 5.962 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.660 6.406 3.281 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.434 8.107 -0.335 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.383 9.028 0.077 1.00 0.00 C ATOM 1871 C ALA A 121 -6.180 10.128 -0.959 1.00 0.00 C ATOM 1872 O ALA A 121 -6.096 11.309 -0.618 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.082 8.274 0.312 1.00 0.00 C ATOM 0 H ALA A 121 -7.210 7.122 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.691 9.498 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.306 8.975 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.229 7.530 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.778 7.777 -0.609 1.00 0.00 H new ATOM 1879 N LEU A 122 -6.100 9.734 -2.225 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.905 10.687 -3.313 1.00 0.00 C ATOM 1881 C LEU A 122 -7.034 11.712 -3.346 1.00 0.00 C ATOM 1882 O LEU A 122 -6.791 12.918 -3.320 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.827 9.953 -4.652 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.812 8.813 -4.735 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.236 7.795 -5.782 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.425 9.356 -5.048 1.00 0.00 C ATOM 0 H LEU A 122 -6.167 8.761 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.966 11.213 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.814 9.551 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.591 10.680 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.776 8.314 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.501 6.991 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.209 7.383 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.302 8.280 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.715 8.531 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.447 9.881 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.118 10.046 -4.262 1.00 0.00 H new