USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 861 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 80 CYS SG : rot 0:sc= 0.664 USER MOD Set 1.2: A 103 TYR OH : rot -30:sc= 0.208 USER MOD Set 2.1: A 33 SER OG : rot -54:sc= 0.9 USER MOD Set 2.2: A 36 SER OG : rot -149:sc= 0.192 USER MOD Set 3.1: A 30 ASN : amide:sc= -0.783 K(o=-0.43,f=1.7) USER MOD Set 3.2: A 34 SER OG : rot -90:sc= 0.353 USER MOD Set 4.1: A 25 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-3.5!) USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 23 TYR OH : rot 163:sc= -0.0302 USER MOD Set 5.2: A 47 ASN : amide:sc= -0.55 X(o=-0.58,f=-0.85) USER MOD Single : A 9 LYS NZ :NH3+ -112:sc= -1.5! (180deg=-3.53!) USER MOD Single : A 10 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.021) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 72:sc= 0.904 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -1.36 (180deg=-1.36) USER MOD Single : A 20 THR OG1 : rot 80:sc= 0.443 USER MOD Single : A 29 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.36) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 149:sc= -0.0284 (180deg=-0.0798) USER MOD Single : A 42 CYS SG : rot 22:sc= -3.01! USER MOD Single : A 46 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-3.8!) USER MOD Single : A 57 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.8) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.16) USER MOD Single : A 65 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.55) USER MOD Single : A 66 ASN : amide:sc= -3.72! C(o=-3.7!,f=-3.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -102:sc= 0.0882 USER MOD Single : A 76 THR OG1 : rot 56:sc= 0.104 USER MOD Single : A 77 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-6.7!) USER MOD Single : A 82 GLN : amide:sc= -0.074 K(o=-0.074,f=-1.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 89 MET CE :methyl -166:sc= -3.24! (180deg=-4.74!) USER MOD Single : A 98 LYS NZ :NH3+ 138:sc= -0.794 (180deg=-2.59!) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 30:sc= -0.0795 USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.677 USER MOD Single : A 105 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.36) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 67:sc= 0.0135 USER MOD Single : A 113 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.67) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.230 -9.502 1.713 1.00 0.00 N ATOM 67 CA ILE A 8 -11.568 -8.291 1.245 1.00 0.00 C ATOM 68 C ILE A 8 -10.067 -8.510 1.089 1.00 0.00 C ATOM 69 O ILE A 8 -9.466 -8.089 0.101 1.00 0.00 O ATOM 70 CB ILE A 8 -11.806 -7.111 2.206 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.298 -6.780 2.281 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.009 -5.895 1.760 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.032 -7.538 3.364 1.00 0.00 C ATOM 0 HA ILE A 8 -12.001 -8.051 0.274 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.466 -7.397 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.416 -5.710 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.759 -7.000 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.188 -5.070 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.947 -6.139 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.320 -5.604 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.084 -7.253 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.945 -8.609 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.597 -7.299 4.334 1.00 0.00 H new ATOM 85 N LYS A 9 -9.466 -9.173 2.072 1.00 0.00 N ATOM 86 CA LYS A 9 -8.036 -9.452 2.044 1.00 0.00 C ATOM 87 C LYS A 9 -7.582 -9.829 0.638 1.00 0.00 C ATOM 88 O LYS A 9 -6.440 -9.575 0.256 1.00 0.00 O ATOM 89 CB LYS A 9 -7.696 -10.580 3.021 1.00 0.00 C ATOM 90 CG LYS A 9 -6.253 -10.563 3.492 1.00 0.00 C ATOM 91 CD LYS A 9 -5.362 -11.402 2.592 1.00 0.00 C ATOM 92 CE LYS A 9 -5.691 -12.882 2.705 1.00 0.00 C ATOM 93 NZ LYS A 9 -6.704 -13.304 1.699 1.00 0.00 N ATOM 0 H LYS A 9 -9.948 -9.527 2.898 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.509 -8.547 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.353 -10.509 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.902 -11.538 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.888 -9.536 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.198 -10.940 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.481 -11.080 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.318 -11.239 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.781 -13.467 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.063 -13.096 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.591 -13.553 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.879 -12.523 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.351 -14.131 1.176 1.00 0.00 H new ATOM 107 N GLN A 10 -8.484 -10.434 -0.128 1.00 0.00 N ATOM 108 CA GLN A 10 -8.175 -10.845 -1.492 1.00 0.00 C ATOM 109 C GLN A 10 -8.255 -9.660 -2.449 1.00 0.00 C ATOM 110 O GLN A 10 -7.237 -9.182 -2.947 1.00 0.00 O ATOM 111 CB GLN A 10 -9.134 -11.948 -1.945 1.00 0.00 C ATOM 112 CG GLN A 10 -8.862 -12.450 -3.354 1.00 0.00 C ATOM 113 CD GLN A 10 -7.621 -13.318 -3.434 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.710 -14.545 -3.487 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.454 -12.684 -3.444 1.00 0.00 N ATOM 0 H GLN A 10 -9.434 -10.650 0.173 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.156 -11.232 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.066 -12.785 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.156 -11.573 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.722 -13.019 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.749 -11.598 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.427 -11.665 -3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.585 -13.216 -3.497 1.00 0.00 H new ATOM 124 N MET A 11 -9.473 -9.191 -2.701 1.00 0.00 N ATOM 125 CA MET A 11 -9.686 -8.061 -3.598 1.00 0.00 C ATOM 126 C MET A 11 -8.561 -7.040 -3.462 1.00 0.00 C ATOM 127 O MET A 11 -8.170 -6.398 -4.438 1.00 0.00 O ATOM 128 CB MET A 11 -11.032 -7.397 -3.305 1.00 0.00 C ATOM 129 CG MET A 11 -10.973 -6.373 -2.184 1.00 0.00 C ATOM 130 SD MET A 11 -10.552 -4.721 -2.773 1.00 0.00 S ATOM 131 CE MET A 11 -11.982 -3.792 -2.226 1.00 0.00 C ATOM 0 H MET A 11 -10.327 -9.576 -2.297 1.00 0.00 H new ATOM 0 HA MET A 11 -9.690 -8.437 -4.621 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.393 -6.911 -4.211 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.759 -8.167 -3.045 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.937 -6.339 -1.677 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.236 -6.690 -1.446 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.870 -2.747 -2.517 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.881 -4.203 -2.686 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.067 -3.859 -1.141 1.00 0.00 H new ATOM 141 N LEU A 12 -8.045 -6.893 -2.247 1.00 0.00 N ATOM 142 CA LEU A 12 -6.965 -5.949 -1.983 1.00 0.00 C ATOM 143 C LEU A 12 -5.682 -6.380 -2.686 1.00 0.00 C ATOM 144 O LEU A 12 -5.105 -5.623 -3.468 1.00 0.00 O ATOM 145 CB LEU A 12 -6.721 -5.831 -0.477 1.00 0.00 C ATOM 146 CG LEU A 12 -7.836 -5.170 0.334 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.642 -5.431 1.819 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.884 -3.675 0.054 1.00 0.00 C ATOM 0 H LEU A 12 -8.357 -7.416 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.262 -4.976 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.552 -6.831 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.802 -5.266 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.788 -5.606 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.445 -4.953 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.659 -6.505 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.683 -5.022 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.683 -3.221 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.931 -3.223 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.072 -3.509 -1.007 1.00 0.00 H new ATOM 160 N LEU A 13 -5.240 -7.601 -2.404 1.00 0.00 N ATOM 161 CA LEU A 13 -4.025 -8.134 -3.011 1.00 0.00 C ATOM 162 C LEU A 13 -4.126 -8.121 -4.533 1.00 0.00 C ATOM 163 O LEU A 13 -3.221 -7.648 -5.220 1.00 0.00 O ATOM 164 CB LEU A 13 -3.768 -9.559 -2.517 1.00 0.00 C ATOM 165 CG LEU A 13 -2.407 -10.157 -2.872 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.340 -9.665 -1.907 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.474 -11.677 -2.867 1.00 0.00 C ATOM 0 H LEU A 13 -5.705 -8.240 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.191 -7.498 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.876 -9.571 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.544 -10.208 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.138 -9.829 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.378 -10.101 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.274 -8.578 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.603 -9.962 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.496 -12.085 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.765 -12.025 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.209 -12.011 -3.599 1.00 0.00 H new ATOM 179 N ASP A 14 -5.233 -8.641 -5.051 1.00 0.00 N ATOM 180 CA ASP A 14 -5.454 -8.686 -6.492 1.00 0.00 C ATOM 181 C ASP A 14 -5.429 -7.283 -7.090 1.00 0.00 C ATOM 182 O ASP A 14 -4.866 -7.064 -8.162 1.00 0.00 O ATOM 183 CB ASP A 14 -6.789 -9.363 -6.804 1.00 0.00 C ATOM 184 CG ASP A 14 -6.980 -9.614 -8.287 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.122 -10.293 -8.889 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.986 -9.130 -8.845 1.00 0.00 O ATOM 0 H ASP A 14 -5.991 -9.037 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.648 -9.267 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.846 -10.310 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.604 -8.739 -6.436 1.00 0.00 H new ATOM 191 N TRP A 15 -6.045 -6.337 -6.390 1.00 0.00 N ATOM 192 CA TRP A 15 -6.094 -4.954 -6.853 1.00 0.00 C ATOM 193 C TRP A 15 -4.705 -4.325 -6.839 1.00 0.00 C ATOM 194 O TRP A 15 -4.200 -3.891 -7.875 1.00 0.00 O ATOM 195 CB TRP A 15 -7.047 -4.136 -5.980 1.00 0.00 C ATOM 196 CG TRP A 15 -7.047 -2.674 -6.309 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.673 -2.071 -7.362 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.387 -1.632 -5.581 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.443 -0.716 -7.332 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.657 -0.422 -6.249 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.597 -1.603 -4.429 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -6.163 0.801 -5.803 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -5.107 -0.389 -3.987 1.00 0.00 C ATOM 204 CH2 TRP A 15 -5.392 0.800 -4.673 1.00 0.00 C ATOM 0 H TRP A 15 -6.517 -6.502 -5.501 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.462 -4.954 -7.879 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.058 -4.527 -6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.771 -4.266 -4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.262 -2.583 -8.108 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.800 -0.039 -8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.373 -2.514 -3.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.381 1.718 -6.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.494 -0.355 -3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.995 1.733 -4.302 1.00 0.00 H new ATOM 215 N CYS A 16 -4.094 -4.280 -5.661 1.00 0.00 N ATOM 216 CA CYS A 16 -2.762 -3.703 -5.513 1.00 0.00 C ATOM 217 C CYS A 16 -1.876 -4.068 -6.699 1.00 0.00 C ATOM 218 O CYS A 16 -1.097 -3.245 -7.181 1.00 0.00 O ATOM 219 CB CYS A 16 -2.117 -4.184 -4.212 1.00 0.00 C ATOM 220 SG CYS A 16 -2.986 -3.656 -2.717 1.00 0.00 S ATOM 0 H CYS A 16 -4.499 -4.636 -4.795 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.865 -2.618 -5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.067 -5.273 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.091 -3.818 -4.171 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.101 -4.315 -2.608 1.00 0.00 H new ATOM 226 N ARG A 17 -2.000 -5.306 -7.165 1.00 0.00 N ATOM 227 CA ARG A 17 -1.209 -5.781 -8.294 1.00 0.00 C ATOM 228 C ARG A 17 -1.558 -5.012 -9.564 1.00 0.00 C ATOM 229 O ARG A 17 -0.674 -4.573 -10.299 1.00 0.00 O ATOM 230 CB ARG A 17 -1.438 -7.278 -8.511 1.00 0.00 C ATOM 231 CG ARG A 17 -0.587 -8.161 -7.614 1.00 0.00 C ATOM 232 CD ARG A 17 -1.254 -9.504 -7.360 1.00 0.00 C ATOM 233 NE ARG A 17 -1.075 -10.424 -8.480 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.002 -11.192 -8.637 1.00 0.00 C ATOM 235 NH1 ARG A 17 0.982 -11.150 -7.749 1.00 0.00 N ATOM 236 NH2 ARG A 17 0.087 -12.004 -9.682 1.00 0.00 N ATOM 0 H ARG A 17 -2.641 -5.999 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.157 -5.611 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.490 -7.505 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.227 -7.522 -9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.388 -8.319 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.411 -7.655 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.840 -9.949 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.319 -9.352 -7.182 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.814 -10.480 -9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.916 -10.527 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.805 -11.740 -7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.669 -12.039 -10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.911 -12.593 -9.801 1.00 0.00 H new ATOM 250 N ALA A 18 -2.853 -4.853 -9.817 1.00 0.00 N ATOM 251 CA ALA A 18 -3.319 -4.136 -10.997 1.00 0.00 C ATOM 252 C ALA A 18 -2.686 -2.751 -11.084 1.00 0.00 C ATOM 253 O ALA A 18 -2.416 -2.248 -12.175 1.00 0.00 O ATOM 254 CB ALA A 18 -4.836 -4.024 -10.982 1.00 0.00 C ATOM 0 H ALA A 18 -3.598 -5.211 -9.220 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.016 -4.702 -11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.170 -3.486 -11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.274 -5.022 -10.976 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.152 -3.484 -10.090 1.00 0.00 H new ATOM 260 N LYS A 19 -2.451 -2.139 -9.928 1.00 0.00 N ATOM 261 CA LYS A 19 -1.849 -0.813 -9.872 1.00 0.00 C ATOM 262 C LYS A 19 -0.336 -0.909 -9.706 1.00 0.00 C ATOM 263 O LYS A 19 0.391 0.047 -9.978 1.00 0.00 O ATOM 264 CB LYS A 19 -2.450 -0.005 -8.719 1.00 0.00 C ATOM 265 CG LYS A 19 -3.968 0.012 -8.715 1.00 0.00 C ATOM 266 CD LYS A 19 -4.521 0.673 -9.967 1.00 0.00 C ATOM 267 CE LYS A 19 -5.991 0.337 -10.172 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.884 1.327 -9.509 1.00 0.00 N ATOM 0 H LYS A 19 -2.669 -2.541 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.062 -0.305 -10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.097 -0.418 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.084 1.020 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.344 -1.009 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.325 0.545 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.401 1.754 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.948 0.347 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.211 0.307 -11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.195 -0.658 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.877 1.063 -9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.692 1.338 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.708 2.273 -9.904 1.00 0.00 H new ATOM 282 N THR A 20 0.134 -2.069 -9.259 1.00 0.00 N ATOM 283 CA THR A 20 1.560 -2.290 -9.057 1.00 0.00 C ATOM 284 C THR A 20 2.071 -3.423 -9.939 1.00 0.00 C ATOM 285 O THR A 20 2.935 -4.199 -9.531 1.00 0.00 O ATOM 286 CB THR A 20 1.875 -2.619 -7.585 1.00 0.00 C ATOM 287 OG1 THR A 20 1.254 -1.657 -6.725 1.00 0.00 O ATOM 288 CG2 THR A 20 3.376 -2.629 -7.342 1.00 0.00 C ATOM 0 H THR A 20 -0.453 -2.871 -9.030 1.00 0.00 H new ATOM 0 HA THR A 20 2.065 -1.364 -9.331 1.00 0.00 H new ATOM 0 HB THR A 20 1.481 -3.611 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.306 -1.880 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.574 -2.864 -6.296 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.842 -3.382 -7.977 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.789 -1.649 -7.578 1.00 0.00 H new ATOM 296 N ARG A 21 1.533 -3.512 -11.151 1.00 0.00 N ATOM 297 CA ARG A 21 1.935 -4.551 -12.091 1.00 0.00 C ATOM 298 C ARG A 21 2.988 -4.027 -13.063 1.00 0.00 C ATOM 299 O ARG A 21 2.794 -2.998 -13.709 1.00 0.00 O ATOM 300 CB ARG A 21 0.721 -5.065 -12.866 1.00 0.00 C ATOM 301 CG ARG A 21 -0.073 -3.966 -13.554 1.00 0.00 C ATOM 302 CD ARG A 21 -0.752 -4.476 -14.816 1.00 0.00 C ATOM 303 NE ARG A 21 0.192 -4.639 -15.918 1.00 0.00 N ATOM 304 CZ ARG A 21 -0.024 -5.435 -16.959 1.00 0.00 C ATOM 305 NH1 ARG A 21 -1.146 -6.137 -17.039 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.883 -5.530 -17.923 1.00 0.00 N ATOM 0 H ARG A 21 0.818 -2.877 -11.505 1.00 0.00 H new ATOM 0 HA ARG A 21 2.368 -5.373 -11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.056 -5.783 -13.615 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.064 -5.602 -12.181 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.824 -3.575 -12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.591 -3.139 -13.806 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.234 -5.431 -14.607 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.537 -3.780 -15.111 1.00 0.00 H new ATOM 0 HE ARG A 21 1.065 -4.113 -15.887 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.846 -6.066 -16.300 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.310 -6.748 -17.840 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.747 -4.991 -17.865 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.716 -6.142 -18.722 1.00 0.00 H new ATOM 320 N GLY A 22 4.104 -4.743 -13.162 1.00 0.00 N ATOM 321 CA GLY A 22 5.171 -4.334 -14.056 1.00 0.00 C ATOM 322 C GLY A 22 6.350 -3.733 -13.316 1.00 0.00 C ATOM 323 O GLY A 22 7.504 -3.993 -13.658 1.00 0.00 O ATOM 0 H GLY A 22 4.288 -5.599 -12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.509 -5.196 -14.632 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.784 -3.606 -14.769 1.00 0.00 H new ATOM 327 N TYR A 23 6.061 -2.927 -12.302 1.00 0.00 N ATOM 328 CA TYR A 23 7.106 -2.284 -11.514 1.00 0.00 C ATOM 329 C TYR A 23 8.267 -3.241 -11.265 1.00 0.00 C ATOM 330 O TYR A 23 8.076 -4.346 -10.758 1.00 0.00 O ATOM 331 CB TYR A 23 6.540 -1.793 -10.180 1.00 0.00 C ATOM 332 CG TYR A 23 5.674 -0.560 -10.307 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.227 0.712 -10.223 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.304 -0.667 -10.510 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.440 1.842 -10.338 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.510 0.458 -10.627 1.00 0.00 C ATOM 337 CZ TYR A 23 4.082 1.709 -10.540 1.00 0.00 C ATOM 338 OH TYR A 23 3.295 2.832 -10.655 1.00 0.00 O ATOM 0 H TYR A 23 5.111 -2.703 -12.006 1.00 0.00 H new ATOM 0 HA TYR A 23 7.478 -1.430 -12.080 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.954 -2.593 -9.727 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.366 -1.579 -9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.290 0.819 -10.065 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.852 -1.646 -10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.886 2.823 -10.270 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.446 0.357 -10.786 1.00 0.00 H new ATOM 0 HH TYR A 23 2.435 2.589 -11.057 1.00 0.00 H new ATOM 348 N GLU A 24 9.471 -2.808 -11.626 1.00 0.00 N ATOM 349 CA GLU A 24 10.664 -3.626 -11.442 1.00 0.00 C ATOM 350 C GLU A 24 10.928 -3.877 -9.960 1.00 0.00 C ATOM 351 O GLU A 24 10.447 -3.141 -9.099 1.00 0.00 O ATOM 352 CB GLU A 24 11.878 -2.948 -12.080 1.00 0.00 C ATOM 353 CG GLU A 24 13.029 -3.899 -12.361 1.00 0.00 C ATOM 354 CD GLU A 24 12.651 -5.000 -13.333 1.00 0.00 C ATOM 355 OE1 GLU A 24 12.076 -6.014 -12.886 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.931 -4.848 -14.541 1.00 0.00 O ATOM 0 H GLU A 24 9.646 -1.896 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 24 10.494 -4.585 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.571 -2.477 -13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.227 -2.153 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.870 -3.336 -12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.364 -4.345 -11.425 1.00 0.00 H new ATOM 363 N HIS A 25 11.696 -4.923 -9.671 1.00 0.00 N ATOM 364 CA HIS A 25 12.025 -5.273 -8.294 1.00 0.00 C ATOM 365 C HIS A 25 10.831 -5.035 -7.373 1.00 0.00 C ATOM 366 O HIS A 25 10.986 -4.553 -6.251 1.00 0.00 O ATOM 367 CB HIS A 25 13.226 -4.459 -7.812 1.00 0.00 C ATOM 368 CG HIS A 25 13.348 -3.121 -8.475 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.335 -2.822 -9.390 1.00 0.00 N ATOM 370 CD2 HIS A 25 12.599 -2.001 -8.352 1.00 0.00 C ATOM 371 CE1 HIS A 25 14.189 -1.575 -9.800 1.00 0.00 C ATOM 372 NE2 HIS A 25 13.142 -1.054 -9.186 1.00 0.00 N ATOM 0 H HIS A 25 12.102 -5.543 -10.372 1.00 0.00 H new ATOM 0 HA HIS A 25 12.279 -6.333 -8.265 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.148 -4.316 -6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.137 -5.029 -7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.735 -1.875 -7.716 1.00 0.00 H new ATOM 0 HE1 HIS A 25 14.819 -1.068 -10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 25 12.793 -0.104 -9.311 1.00 0.00 H new ATOM 381 N VAL A 26 9.641 -5.375 -7.856 1.00 0.00 N ATOM 382 CA VAL A 26 8.421 -5.199 -7.077 1.00 0.00 C ATOM 383 C VAL A 26 7.407 -6.295 -7.387 1.00 0.00 C ATOM 384 O VAL A 26 7.103 -6.561 -8.550 1.00 0.00 O ATOM 385 CB VAL A 26 7.776 -3.827 -7.346 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.398 -3.750 -6.707 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.672 -2.708 -6.838 1.00 0.00 C ATOM 0 H VAL A 26 9.495 -5.774 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 26 8.706 -5.258 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 26 7.658 -3.706 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.958 -2.773 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.759 -4.528 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.488 -3.893 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.200 -1.746 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.825 -2.823 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.634 -2.752 -7.348 1.00 0.00 H new ATOM 397 N ASP A 27 6.888 -6.926 -6.340 1.00 0.00 N ATOM 398 CA ASP A 27 5.907 -7.993 -6.501 1.00 0.00 C ATOM 399 C ASP A 27 5.088 -8.174 -5.226 1.00 0.00 C ATOM 400 O ASP A 27 5.600 -8.639 -4.208 1.00 0.00 O ATOM 401 CB ASP A 27 6.603 -9.305 -6.865 1.00 0.00 C ATOM 402 CG ASP A 27 6.869 -9.426 -8.352 1.00 0.00 C ATOM 403 OD1 ASP A 27 5.895 -9.584 -9.118 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.051 -9.364 -8.751 1.00 0.00 O ATOM 0 H ASP A 27 7.130 -6.718 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 27 5.232 -7.713 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.546 -9.375 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.986 -10.143 -6.540 1.00 0.00 H new ATOM 409 N ILE A 28 3.813 -7.802 -5.290 1.00 0.00 N ATOM 410 CA ILE A 28 2.924 -7.924 -4.142 1.00 0.00 C ATOM 411 C ILE A 28 2.276 -9.303 -4.092 1.00 0.00 C ATOM 412 O ILE A 28 1.177 -9.501 -4.609 1.00 0.00 O ATOM 413 CB ILE A 28 1.820 -6.850 -4.169 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.439 -5.453 -4.243 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.929 -6.976 -2.942 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.430 -4.359 -4.518 1.00 0.00 C ATOM 0 H ILE A 28 3.374 -7.414 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 28 3.537 -7.782 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 28 1.207 -7.003 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.947 -5.239 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.198 -5.442 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.154 -6.210 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.465 -7.962 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.529 -6.846 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.939 -3.396 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.939 -4.549 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.685 -4.343 -3.723 1.00 0.00 H new ATOM 428 N GLN A 29 2.963 -10.252 -3.465 1.00 0.00 N ATOM 429 CA GLN A 29 2.453 -11.612 -3.347 1.00 0.00 C ATOM 430 C GLN A 29 1.623 -11.774 -2.078 1.00 0.00 C ATOM 431 O GLN A 29 0.585 -12.435 -2.083 1.00 0.00 O ATOM 432 CB GLN A 29 3.609 -12.615 -3.346 1.00 0.00 C ATOM 433 CG GLN A 29 3.162 -14.059 -3.509 1.00 0.00 C ATOM 434 CD GLN A 29 2.090 -14.221 -4.569 1.00 0.00 C ATOM 435 OE1 GLN A 29 2.389 -14.326 -5.759 1.00 0.00 O ATOM 436 NE2 GLN A 29 0.833 -14.245 -4.142 1.00 0.00 N ATOM 0 H GLN A 29 3.874 -10.104 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 29 1.812 -11.808 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.298 -12.363 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.162 -12.518 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.023 -14.675 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.784 -14.428 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.631 -14.155 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.070 -14.354 -4.810 1.00 0.00 H new ATOM 445 N ASN A 30 2.088 -11.167 -0.991 1.00 0.00 N ATOM 446 CA ASN A 30 1.389 -11.244 0.287 1.00 0.00 C ATOM 447 C ASN A 30 1.611 -9.977 1.106 1.00 0.00 C ATOM 448 O ASN A 30 2.270 -9.040 0.655 1.00 0.00 O ATOM 449 CB ASN A 30 1.861 -12.466 1.077 1.00 0.00 C ATOM 450 CG ASN A 30 3.302 -12.830 0.772 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.571 -13.745 -0.006 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.235 -12.113 1.387 1.00 0.00 N ATOM 0 H ASN A 30 2.946 -10.616 -0.969 1.00 0.00 H new ATOM 0 HA ASN A 30 0.322 -11.341 0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.757 -12.268 2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.218 -13.315 0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.222 -12.312 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.965 -11.364 2.024 1.00 0.00 H new ATOM 459 N PHE A 31 1.058 -9.956 2.314 1.00 0.00 N ATOM 460 CA PHE A 31 1.195 -8.804 3.198 1.00 0.00 C ATOM 461 C PHE A 31 2.089 -9.135 4.389 1.00 0.00 C ATOM 462 O PHE A 31 1.868 -8.650 5.499 1.00 0.00 O ATOM 463 CB PHE A 31 -0.179 -8.345 3.690 1.00 0.00 C ATOM 464 CG PHE A 31 -1.182 -8.168 2.586 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.088 -7.098 1.710 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.221 -9.071 2.424 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.009 -6.933 0.693 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.144 -8.912 1.409 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.039 -7.840 0.543 1.00 0.00 C ATOM 0 H PHE A 31 0.511 -10.724 2.703 1.00 0.00 H new ATOM 0 HA PHE A 31 1.659 -7.997 2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.562 -9.073 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.068 -7.401 4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.285 -6.385 1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.310 -9.909 3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.923 -6.096 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.947 -9.625 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.761 -7.712 -0.250 1.00 0.00 H new ATOM 479 N SER A 32 3.099 -9.966 4.150 1.00 0.00 N ATOM 480 CA SER A 32 4.024 -10.367 5.204 1.00 0.00 C ATOM 481 C SER A 32 5.414 -9.789 4.955 1.00 0.00 C ATOM 482 O SER A 32 5.830 -8.837 5.615 1.00 0.00 O ATOM 483 CB SER A 32 4.102 -11.892 5.290 1.00 0.00 C ATOM 484 OG SER A 32 2.870 -12.442 5.723 1.00 0.00 O ATOM 0 H SER A 32 3.297 -10.374 3.237 1.00 0.00 H new ATOM 0 HA SER A 32 3.650 -9.975 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.364 -12.301 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.895 -12.180 5.980 1.00 0.00 H new ATOM 0 HG SER A 32 2.945 -13.418 5.768 1.00 0.00 H new ATOM 490 N SER A 33 6.128 -10.372 3.997 1.00 0.00 N ATOM 491 CA SER A 33 7.473 -9.918 3.662 1.00 0.00 C ATOM 492 C SER A 33 7.549 -9.476 2.204 1.00 0.00 C ATOM 493 O SER A 33 8.560 -9.683 1.532 1.00 0.00 O ATOM 494 CB SER A 33 8.489 -11.032 3.922 1.00 0.00 C ATOM 495 OG SER A 33 9.813 -10.575 3.704 1.00 0.00 O ATOM 0 H SER A 33 5.798 -11.160 3.439 1.00 0.00 H new ATOM 0 HA SER A 33 7.710 -9.064 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.388 -11.389 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.281 -11.879 3.268 1.00 0.00 H new ATOM 0 HG SER A 33 9.882 -10.190 2.805 1.00 0.00 H new ATOM 501 N SER A 34 6.472 -8.864 1.720 1.00 0.00 N ATOM 502 CA SER A 34 6.415 -8.395 0.341 1.00 0.00 C ATOM 503 C SER A 34 6.791 -6.919 0.253 1.00 0.00 C ATOM 504 O SER A 34 7.386 -6.477 -0.730 1.00 0.00 O ATOM 505 CB SER A 34 5.014 -8.611 -0.235 1.00 0.00 C ATOM 506 OG SER A 34 4.735 -9.991 -0.395 1.00 0.00 O ATOM 0 H SER A 34 5.628 -8.682 2.263 1.00 0.00 H new ATOM 0 HA SER A 34 7.134 -8.970 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.273 -8.161 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.931 -8.106 -1.198 1.00 0.00 H new ATOM 0 HG SER A 34 5.016 -10.280 -1.288 1.00 0.00 H new ATOM 512 N TRP A 35 6.441 -6.163 1.287 1.00 0.00 N ATOM 513 CA TRP A 35 6.742 -4.737 1.328 1.00 0.00 C ATOM 514 C TRP A 35 8.006 -4.470 2.137 1.00 0.00 C ATOM 515 O TRP A 35 8.685 -3.464 1.931 1.00 0.00 O ATOM 516 CB TRP A 35 5.565 -3.963 1.926 1.00 0.00 C ATOM 517 CG TRP A 35 4.236 -4.390 1.382 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.594 -5.572 1.621 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.387 -3.640 0.507 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.397 -5.601 0.947 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.246 -4.428 0.256 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.478 -2.379 -0.089 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.208 -3.994 -0.564 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.447 -1.950 -0.903 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.324 -2.756 -1.134 1.00 0.00 C ATOM 0 H TRP A 35 5.948 -6.514 2.108 1.00 0.00 H new ATOM 0 HA TRP A 35 6.909 -4.397 0.306 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.566 -4.094 3.008 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.704 -2.899 1.733 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.972 -6.367 2.247 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.729 -6.372 0.959 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.339 -1.751 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.342 -4.613 -0.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.508 -0.978 -1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.534 -2.392 -1.775 1.00 0.00 H new ATOM 536 N SER A 36 8.317 -5.376 3.058 1.00 0.00 N ATOM 537 CA SER A 36 9.498 -5.236 3.901 1.00 0.00 C ATOM 538 C SER A 36 10.639 -4.577 3.132 1.00 0.00 C ATOM 539 O SER A 36 11.356 -3.732 3.667 1.00 0.00 O ATOM 540 CB SER A 36 9.943 -6.604 4.423 1.00 0.00 C ATOM 541 OG SER A 36 10.183 -7.504 3.355 1.00 0.00 O ATOM 0 H SER A 36 7.767 -6.216 3.239 1.00 0.00 H new ATOM 0 HA SER A 36 9.237 -4.599 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.849 -6.492 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.176 -7.012 5.082 1.00 0.00 H new ATOM 0 HG SER A 36 9.984 -8.418 3.647 1.00 0.00 H new ATOM 547 N ASP A 37 10.800 -4.969 1.873 1.00 0.00 N ATOM 548 CA ASP A 37 11.852 -4.417 1.028 1.00 0.00 C ATOM 549 C ASP A 37 11.800 -2.892 1.023 1.00 0.00 C ATOM 550 O ASP A 37 12.756 -2.227 1.421 1.00 0.00 O ATOM 551 CB ASP A 37 11.721 -4.948 -0.400 1.00 0.00 C ATOM 552 CG ASP A 37 12.272 -6.353 -0.547 1.00 0.00 C ATOM 553 OD1 ASP A 37 11.781 -7.260 0.157 1.00 0.00 O ATOM 554 OD2 ASP A 37 13.194 -6.546 -1.368 1.00 0.00 O ATOM 0 H ASP A 37 10.215 -5.668 1.415 1.00 0.00 H new ATOM 0 HA ASP A 37 12.813 -4.729 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.671 -4.940 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.247 -4.281 -1.083 1.00 0.00 H new ATOM 559 N GLY A 38 10.678 -2.344 0.568 1.00 0.00 N ATOM 560 CA GLY A 38 10.523 -0.902 0.518 1.00 0.00 C ATOM 561 C GLY A 38 9.865 -0.434 -0.764 1.00 0.00 C ATOM 562 O GLY A 38 8.700 -0.036 -0.764 1.00 0.00 O ATOM 0 H GLY A 38 9.873 -2.873 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.927 -0.574 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.501 -0.431 0.614 1.00 0.00 H new ATOM 566 N MET A 39 10.614 -0.478 -1.862 1.00 0.00 N ATOM 567 CA MET A 39 10.096 -0.054 -3.157 1.00 0.00 C ATOM 568 C MET A 39 8.618 -0.406 -3.294 1.00 0.00 C ATOM 569 O MET A 39 7.811 0.419 -3.722 1.00 0.00 O ATOM 570 CB MET A 39 10.894 -0.706 -4.288 1.00 0.00 C ATOM 571 CG MET A 39 12.370 -0.342 -4.278 1.00 0.00 C ATOM 572 SD MET A 39 12.650 1.428 -4.480 1.00 0.00 S ATOM 573 CE MET A 39 13.193 1.493 -6.186 1.00 0.00 C ATOM 0 H MET A 39 11.581 -0.803 -1.880 1.00 0.00 H new ATOM 0 HA MET A 39 10.201 1.029 -3.225 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.795 -1.789 -4.214 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.462 -0.411 -5.244 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.815 -0.672 -3.339 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.878 -0.880 -5.078 1.00 0.00 H new ATOM 0 HE1 MET A 39 12.890 2.442 -6.629 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.279 1.405 -6.226 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.742 0.672 -6.743 1.00 0.00 H new ATOM 583 N ALA A 40 8.271 -1.636 -2.928 1.00 0.00 N ATOM 584 CA ALA A 40 6.890 -2.095 -3.009 1.00 0.00 C ATOM 585 C ALA A 40 5.916 -0.961 -2.710 1.00 0.00 C ATOM 586 O ALA A 40 5.149 -0.543 -3.577 1.00 0.00 O ATOM 587 CB ALA A 40 6.664 -3.255 -2.051 1.00 0.00 C ATOM 0 H ALA A 40 8.927 -2.332 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 40 6.705 -2.437 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.629 -3.588 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.329 -4.078 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.872 -2.931 -1.031 1.00 0.00 H new ATOM 593 N PHE A 41 5.950 -0.468 -1.476 1.00 0.00 N ATOM 594 CA PHE A 41 5.069 0.617 -1.062 1.00 0.00 C ATOM 595 C PHE A 41 5.154 1.789 -2.036 1.00 0.00 C ATOM 596 O PHE A 41 4.136 2.267 -2.540 1.00 0.00 O ATOM 597 CB PHE A 41 5.429 1.085 0.349 1.00 0.00 C ATOM 598 CG PHE A 41 4.806 0.253 1.434 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.429 0.137 1.532 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.598 -0.412 2.356 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.853 -0.628 2.528 1.00 0.00 C ATOM 602 CE2 PHE A 41 5.028 -1.179 3.354 1.00 0.00 C ATOM 603 CZ PHE A 41 3.654 -1.286 3.441 1.00 0.00 C ATOM 0 H PHE A 41 6.578 -0.803 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 41 4.046 0.241 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.513 1.065 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.114 2.121 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.798 0.651 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.673 -0.330 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.778 -0.711 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.656 -1.694 4.065 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.206 -1.883 4.222 1.00 0.00 H new ATOM 613 N CYS A 42 6.373 2.248 -2.295 1.00 0.00 N ATOM 614 CA CYS A 42 6.593 3.365 -3.207 1.00 0.00 C ATOM 615 C CYS A 42 5.838 3.154 -4.516 1.00 0.00 C ATOM 616 O CYS A 42 5.014 3.979 -4.908 1.00 0.00 O ATOM 617 CB CYS A 42 8.086 3.536 -3.487 1.00 0.00 C ATOM 618 SG CYS A 42 9.047 4.083 -2.057 1.00 0.00 S ATOM 0 H CYS A 42 7.225 1.864 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 42 6.215 4.270 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.489 2.587 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.213 4.257 -4.294 1.00 0.00 H new ATOM 0 HG CYS A 42 8.401 3.797 -0.965 1.00 0.00 H new ATOM 624 N ALA A 43 6.128 2.044 -5.188 1.00 0.00 N ATOM 625 CA ALA A 43 5.477 1.725 -6.452 1.00 0.00 C ATOM 626 C ALA A 43 3.966 1.906 -6.353 1.00 0.00 C ATOM 627 O ALA A 43 3.359 2.604 -7.166 1.00 0.00 O ATOM 628 CB ALA A 43 5.814 0.303 -6.875 1.00 0.00 C ATOM 0 H ALA A 43 6.809 1.351 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 43 5.850 2.415 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.321 0.078 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.893 0.205 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.470 -0.395 -6.112 1.00 0.00 H new ATOM 634 N LEU A 44 3.364 1.273 -5.352 1.00 0.00 N ATOM 635 CA LEU A 44 1.922 1.363 -5.147 1.00 0.00 C ATOM 636 C LEU A 44 1.458 2.816 -5.176 1.00 0.00 C ATOM 637 O LEU A 44 0.444 3.142 -5.792 1.00 0.00 O ATOM 638 CB LEU A 44 1.536 0.719 -3.814 1.00 0.00 C ATOM 639 CG LEU A 44 0.040 0.666 -3.503 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.658 -0.341 -4.404 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.189 0.322 -2.038 1.00 0.00 C ATOM 0 H LEU A 44 3.852 0.692 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 44 1.430 0.827 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.926 -0.299 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.034 1.264 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.386 1.651 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.722 -0.365 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.524 -0.051 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.229 -1.330 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.259 0.289 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.252 -0.650 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.276 1.081 -1.409 1.00 0.00 H new ATOM 653 N VAL A 45 2.209 3.685 -4.507 1.00 0.00 N ATOM 654 CA VAL A 45 1.876 5.104 -4.459 1.00 0.00 C ATOM 655 C VAL A 45 2.159 5.780 -5.796 1.00 0.00 C ATOM 656 O VAL A 45 1.249 6.293 -6.449 1.00 0.00 O ATOM 657 CB VAL A 45 2.667 5.828 -3.353 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.346 7.315 -3.354 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.369 5.211 -1.995 1.00 0.00 C ATOM 0 H VAL A 45 3.052 3.432 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 45 0.811 5.173 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 45 3.732 5.710 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.914 7.810 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.614 7.744 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.280 7.457 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.936 5.734 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.303 5.297 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.654 4.159 -2.003 1.00 0.00 H new ATOM 669 N HIS A 46 3.426 5.777 -6.198 1.00 0.00 N ATOM 670 CA HIS A 46 3.829 6.390 -7.459 1.00 0.00 C ATOM 671 C HIS A 46 2.743 6.219 -8.517 1.00 0.00 C ATOM 672 O HIS A 46 2.426 7.154 -9.252 1.00 0.00 O ATOM 673 CB HIS A 46 5.139 5.776 -7.953 1.00 0.00 C ATOM 674 CG HIS A 46 5.699 6.454 -9.165 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.927 5.798 -10.356 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.075 7.739 -9.367 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.421 6.649 -11.238 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.520 7.834 -10.662 1.00 0.00 N ATOM 0 H HIS A 46 4.191 5.357 -5.669 1.00 0.00 H new ATOM 0 HA HIS A 46 3.979 7.456 -7.285 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.876 5.818 -7.151 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.974 4.723 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.033 8.540 -8.644 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.697 6.416 -12.256 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.870 8.682 -11.108 1.00 0.00 H new ATOM 687 N ASN A 47 2.177 5.018 -8.590 1.00 0.00 N ATOM 688 CA ASN A 47 1.128 4.725 -9.559 1.00 0.00 C ATOM 689 C ASN A 47 0.019 5.771 -9.494 1.00 0.00 C ATOM 690 O ASN A 47 -0.417 6.294 -10.519 1.00 0.00 O ATOM 691 CB ASN A 47 0.547 3.332 -9.307 1.00 0.00 C ATOM 692 CG ASN A 47 -0.297 2.839 -10.467 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.225 2.308 -11.447 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.609 3.014 -10.359 1.00 0.00 N ATOM 0 H ASN A 47 2.428 4.233 -7.989 1.00 0.00 H new ATOM 0 HA ASN A 47 1.570 4.752 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.361 2.629 -9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.061 3.353 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.228 2.703 -11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.997 3.459 -9.528 1.00 0.00 H new ATOM 701 N PHE A 48 -0.433 6.071 -8.281 1.00 0.00 N ATOM 702 CA PHE A 48 -1.492 7.053 -8.081 1.00 0.00 C ATOM 703 C PHE A 48 -0.982 8.465 -8.355 1.00 0.00 C ATOM 704 O PHE A 48 -1.506 9.170 -9.218 1.00 0.00 O ATOM 705 CB PHE A 48 -2.036 6.964 -6.653 1.00 0.00 C ATOM 706 CG PHE A 48 -2.054 5.566 -6.105 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.628 4.532 -6.826 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.496 5.286 -4.868 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.646 3.245 -6.323 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.511 4.001 -4.360 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.086 2.979 -5.089 1.00 0.00 C ATOM 0 H PHE A 48 -0.082 5.648 -7.422 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.296 6.832 -8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.429 7.593 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.049 7.367 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.066 4.734 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.044 6.081 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.098 2.448 -6.895 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.074 3.796 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.098 1.974 -4.695 1.00 0.00 H new ATOM 721 N PHE A 49 0.044 8.872 -7.614 1.00 0.00 N ATOM 722 CA PHE A 49 0.624 10.200 -7.776 1.00 0.00 C ATOM 723 C PHE A 49 2.083 10.106 -8.213 1.00 0.00 C ATOM 724 O PHE A 49 3.003 10.095 -7.395 1.00 0.00 O ATOM 725 CB PHE A 49 0.522 10.987 -6.468 1.00 0.00 C ATOM 726 CG PHE A 49 -0.816 10.863 -5.797 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.101 9.778 -4.984 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.790 11.832 -5.979 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.331 9.661 -4.365 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.022 11.721 -5.362 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.293 10.633 -4.555 1.00 0.00 C ATOM 0 H PHE A 49 0.490 8.301 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 49 0.063 10.722 -8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.296 10.641 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.722 12.039 -6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.353 9.014 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.584 12.684 -6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.540 8.810 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.772 12.484 -5.511 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.256 10.543 -4.074 1.00 0.00 H new ATOM 741 N PRO A 50 2.301 10.037 -9.535 1.00 0.00 N ATOM 742 CA PRO A 50 3.645 9.942 -10.112 1.00 0.00 C ATOM 743 C PRO A 50 4.437 11.236 -9.950 1.00 0.00 C ATOM 744 O PRO A 50 5.623 11.210 -9.622 1.00 0.00 O ATOM 745 CB PRO A 50 3.376 9.661 -11.592 1.00 0.00 C ATOM 746 CG PRO A 50 2.022 10.227 -11.846 1.00 0.00 C ATOM 747 CD PRO A 50 1.251 10.045 -10.568 1.00 0.00 C ATOM 0 HA PRO A 50 4.247 9.177 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.127 10.131 -12.227 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.404 8.592 -11.803 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.084 11.281 -12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.533 9.713 -12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.538 10.854 -10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.682 9.115 -10.570 1.00 0.00 H new ATOM 755 N GLU A 51 3.773 12.364 -10.182 1.00 0.00 N ATOM 756 CA GLU A 51 4.417 13.667 -10.063 1.00 0.00 C ATOM 757 C GLU A 51 4.854 13.927 -8.624 1.00 0.00 C ATOM 758 O GLU A 51 5.960 14.408 -8.377 1.00 0.00 O ATOM 759 CB GLU A 51 3.469 14.774 -10.527 1.00 0.00 C ATOM 760 CG GLU A 51 3.057 14.650 -11.985 1.00 0.00 C ATOM 761 CD GLU A 51 2.375 15.900 -12.506 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.220 16.157 -12.106 1.00 0.00 O ATOM 763 OE2 GLU A 51 2.996 16.621 -13.315 1.00 0.00 O ATOM 0 H GLU A 51 2.790 12.402 -10.453 1.00 0.00 H new ATOM 0 HA GLU A 51 5.302 13.666 -10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.575 14.761 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.950 15.740 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.938 14.442 -12.591 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.384 13.800 -12.098 1.00 0.00 H new ATOM 770 N ALA A 52 3.977 13.606 -7.678 1.00 0.00 N ATOM 771 CA ALA A 52 4.272 13.804 -6.264 1.00 0.00 C ATOM 772 C ALA A 52 5.730 13.477 -5.957 1.00 0.00 C ATOM 773 O ALA A 52 6.386 14.181 -5.189 1.00 0.00 O ATOM 774 CB ALA A 52 3.346 12.953 -5.408 1.00 0.00 C ATOM 0 H ALA A 52 3.057 13.208 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 52 4.105 14.855 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.577 13.111 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.311 13.237 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.485 11.901 -5.657 1.00 0.00 H new ATOM 780 N PHE A 53 6.230 12.403 -6.559 1.00 0.00 N ATOM 781 CA PHE A 53 7.610 11.982 -6.348 1.00 0.00 C ATOM 782 C PHE A 53 8.059 11.020 -7.444 1.00 0.00 C ATOM 783 O PHE A 53 7.266 10.225 -7.950 1.00 0.00 O ATOM 784 CB PHE A 53 7.759 11.317 -4.978 1.00 0.00 C ATOM 785 CG PHE A 53 7.186 9.929 -4.920 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.825 9.720 -5.074 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.009 8.834 -4.711 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.295 8.445 -5.020 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.485 7.556 -4.657 1.00 0.00 C ATOM 790 CZ PHE A 53 6.126 7.361 -4.813 1.00 0.00 C ATOM 0 H PHE A 53 5.700 11.809 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 53 8.243 12.868 -6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.816 11.276 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.268 11.936 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.171 10.563 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.072 8.981 -4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.232 8.296 -5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.137 6.711 -4.493 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.714 6.363 -4.773 1.00 0.00 H new ATOM 800 N ASP A 54 9.334 11.098 -7.806 1.00 0.00 N ATOM 801 CA ASP A 54 9.890 10.235 -8.842 1.00 0.00 C ATOM 802 C ASP A 54 10.204 8.850 -8.284 1.00 0.00 C ATOM 803 O ASP A 54 10.832 8.721 -7.233 1.00 0.00 O ATOM 804 CB ASP A 54 11.155 10.860 -9.432 1.00 0.00 C ATOM 805 CG ASP A 54 11.029 12.359 -9.617 1.00 0.00 C ATOM 806 OD1 ASP A 54 9.978 12.808 -10.121 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.980 13.083 -9.258 1.00 0.00 O ATOM 0 H ASP A 54 10.003 11.750 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 54 9.145 10.129 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.001 10.648 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.372 10.395 -10.394 1.00 0.00 H new ATOM 812 N TYR A 55 9.762 7.818 -8.994 1.00 0.00 N ATOM 813 CA TYR A 55 9.992 6.443 -8.568 1.00 0.00 C ATOM 814 C TYR A 55 11.409 5.996 -8.913 1.00 0.00 C ATOM 815 O TYR A 55 12.200 5.665 -8.031 1.00 0.00 O ATOM 816 CB TYR A 55 8.976 5.507 -9.225 1.00 0.00 C ATOM 817 CG TYR A 55 9.213 4.045 -8.918 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.979 3.535 -7.647 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.672 3.175 -9.899 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.195 2.200 -7.362 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.889 1.839 -9.624 1.00 0.00 C ATOM 822 CZ TYR A 55 9.649 1.356 -8.354 1.00 0.00 C ATOM 823 OH TYR A 55 9.866 0.026 -8.075 1.00 0.00 O ATOM 0 H TYR A 55 9.242 7.908 -9.867 1.00 0.00 H new ATOM 0 HA TYR A 55 9.870 6.399 -7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.974 5.781 -8.894 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.006 5.652 -10.305 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.622 4.193 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.862 3.550 -10.894 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.009 1.820 -6.368 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.245 1.176 -10.399 1.00 0.00 H new ATOM 0 HH TYR A 55 10.184 -0.430 -8.882 1.00 0.00 H new ATOM 833 N GLY A 56 11.723 5.990 -10.205 1.00 0.00 N ATOM 834 CA GLY A 56 13.045 5.583 -10.646 1.00 0.00 C ATOM 835 C GLY A 56 14.149 6.182 -9.798 1.00 0.00 C ATOM 836 O GLY A 56 15.188 5.558 -9.590 1.00 0.00 O ATOM 0 H GLY A 56 11.086 6.260 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.116 4.496 -10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.186 5.882 -11.685 1.00 0.00 H new ATOM 840 N GLN A 57 13.923 7.397 -9.307 1.00 0.00 N ATOM 841 CA GLN A 57 14.909 8.081 -8.479 1.00 0.00 C ATOM 842 C GLN A 57 15.201 7.285 -7.211 1.00 0.00 C ATOM 843 O GLN A 57 16.347 7.200 -6.769 1.00 0.00 O ATOM 844 CB GLN A 57 14.416 9.482 -8.114 1.00 0.00 C ATOM 845 CG GLN A 57 14.423 10.454 -9.283 1.00 0.00 C ATOM 846 CD GLN A 57 15.823 10.882 -9.677 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.808 10.454 -9.075 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.919 11.731 -10.694 1.00 0.00 N ATOM 0 H GLN A 57 13.067 7.927 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 57 15.832 8.167 -9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.403 9.410 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.042 9.882 -7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.934 9.990 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.838 11.335 -9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.076 12.060 -11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.836 12.054 -11.004 1.00 0.00 H new ATOM 857 N LEU A 58 14.157 6.705 -6.630 1.00 0.00 N ATOM 858 CA LEU A 58 14.300 5.916 -5.411 1.00 0.00 C ATOM 859 C LEU A 58 15.117 4.654 -5.672 1.00 0.00 C ATOM 860 O LEU A 58 15.281 4.235 -6.818 1.00 0.00 O ATOM 861 CB LEU A 58 12.924 5.541 -4.858 1.00 0.00 C ATOM 862 CG LEU A 58 11.959 6.702 -4.615 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.536 6.189 -4.457 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.381 7.499 -3.390 1.00 0.00 C ATOM 0 H LEU A 58 13.202 6.766 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 58 14.827 6.523 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.454 4.843 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.065 5.009 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 58 11.990 7.363 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.863 7.029 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.236 5.664 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.488 5.506 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.683 8.321 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.380 6.849 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.383 7.899 -3.544 1.00 0.00 H new ATOM 876 N SER A 59 15.625 4.052 -4.602 1.00 0.00 N ATOM 877 CA SER A 59 16.426 2.839 -4.715 1.00 0.00 C ATOM 878 C SER A 59 15.960 1.785 -3.716 1.00 0.00 C ATOM 879 O SER A 59 15.395 2.094 -2.666 1.00 0.00 O ATOM 880 CB SER A 59 17.905 3.156 -4.487 1.00 0.00 C ATOM 881 OG SER A 59 18.404 4.016 -5.497 1.00 0.00 O ATOM 0 H SER A 59 15.496 4.385 -3.646 1.00 0.00 H new ATOM 0 HA SER A 59 16.298 2.441 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.034 3.623 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.481 2.231 -4.476 1.00 0.00 H new ATOM 0 HG SER A 59 19.351 4.205 -5.328 1.00 0.00 H new ATOM 887 N PRO A 60 16.201 0.508 -4.048 1.00 0.00 N ATOM 888 CA PRO A 60 15.816 -0.619 -3.193 1.00 0.00 C ATOM 889 C PRO A 60 16.648 -0.690 -1.917 1.00 0.00 C ATOM 890 O PRO A 60 16.112 -0.884 -0.827 1.00 0.00 O ATOM 891 CB PRO A 60 16.083 -1.841 -4.075 1.00 0.00 C ATOM 892 CG PRO A 60 17.132 -1.394 -5.034 1.00 0.00 C ATOM 893 CD PRO A 60 16.870 0.066 -5.283 1.00 0.00 C ATOM 0 HA PRO A 60 14.783 -0.539 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.424 -2.690 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.180 -2.158 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.129 -1.547 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.081 -1.964 -5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.795 0.616 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.238 0.217 -6.158 1.00 0.00 H new ATOM 901 N GLN A 61 17.960 -0.533 -2.063 1.00 0.00 N ATOM 902 CA GLN A 61 18.865 -0.581 -0.921 1.00 0.00 C ATOM 903 C GLN A 61 18.355 0.300 0.215 1.00 0.00 C ATOM 904 O GLN A 61 18.578 0.006 1.389 1.00 0.00 O ATOM 905 CB GLN A 61 20.268 -0.135 -1.337 1.00 0.00 C ATOM 906 CG GLN A 61 21.238 -0.012 -0.172 1.00 0.00 C ATOM 907 CD GLN A 61 21.951 -1.315 0.133 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.091 -1.524 -0.282 1.00 0.00 O ATOM 909 NE2 GLN A 61 21.281 -2.199 0.863 1.00 0.00 N ATOM 0 H GLN A 61 18.419 -0.372 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 61 18.908 -1.611 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.668 -0.848 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.199 0.827 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.976 0.757 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 61 20.696 0.317 0.714 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.338 -1.984 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.710 -3.093 1.101 1.00 0.00 H new ATOM 918 N ASN A 62 17.670 1.382 -0.143 1.00 0.00 N ATOM 919 CA ASN A 62 17.130 2.306 0.847 1.00 0.00 C ATOM 920 C ASN A 62 15.860 1.744 1.480 1.00 0.00 C ATOM 921 O ASN A 62 14.768 1.878 0.929 1.00 0.00 O ATOM 922 CB ASN A 62 16.834 3.661 0.202 1.00 0.00 C ATOM 923 CG ASN A 62 18.037 4.585 0.219 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.632 4.827 1.269 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.399 5.105 -0.948 1.00 0.00 N ATOM 0 H ASN A 62 17.476 1.640 -1.111 1.00 0.00 H new ATOM 0 HA ASN A 62 17.877 2.438 1.629 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.512 3.507 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.006 4.137 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.201 5.734 -1.000 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.875 4.876 -1.793 1.00 0.00 H new ATOM 932 N ARG A 63 16.013 1.115 2.641 1.00 0.00 N ATOM 933 CA ARG A 63 14.880 0.532 3.349 1.00 0.00 C ATOM 934 C ARG A 63 14.003 1.621 3.962 1.00 0.00 C ATOM 935 O ARG A 63 12.778 1.577 3.856 1.00 0.00 O ATOM 936 CB ARG A 63 15.370 -0.419 4.443 1.00 0.00 C ATOM 937 CG ARG A 63 15.743 -1.799 3.927 1.00 0.00 C ATOM 938 CD ARG A 63 17.211 -1.869 3.535 1.00 0.00 C ATOM 939 NE ARG A 63 18.079 -2.048 4.696 1.00 0.00 N ATOM 940 CZ ARG A 63 19.291 -2.589 4.630 1.00 0.00 C ATOM 941 NH1 ARG A 63 19.775 -3.001 3.467 1.00 0.00 N ATOM 942 NH2 ARG A 63 20.021 -2.718 5.731 1.00 0.00 N ATOM 0 H ARG A 63 16.910 0.996 3.111 1.00 0.00 H new ATOM 0 HA ARG A 63 14.283 -0.029 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.237 0.022 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.592 -0.521 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.534 -2.544 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.123 -2.046 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.362 -2.694 2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.490 -0.955 3.011 1.00 0.00 H new ATOM 0 HE ARG A 63 17.736 -1.741 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.217 -2.903 2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.706 -3.416 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.652 -2.402 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 63 20.951 -3.133 5.680 1.00 0.00 H new ATOM 956 N ARG A 64 14.640 2.595 4.603 1.00 0.00 N ATOM 957 CA ARG A 64 13.919 3.694 5.234 1.00 0.00 C ATOM 958 C ARG A 64 13.291 4.606 4.184 1.00 0.00 C ATOM 959 O ARG A 64 12.069 4.719 4.097 1.00 0.00 O ATOM 960 CB ARG A 64 14.859 4.501 6.130 1.00 0.00 C ATOM 961 CG ARG A 64 15.378 3.722 7.327 1.00 0.00 C ATOM 962 CD ARG A 64 16.384 4.534 8.128 1.00 0.00 C ATOM 963 NE ARG A 64 15.741 5.323 9.175 1.00 0.00 N ATOM 964 CZ ARG A 64 16.269 6.426 9.693 1.00 0.00 C ATOM 965 NH1 ARG A 64 17.443 6.868 9.264 1.00 0.00 N ATOM 966 NH2 ARG A 64 15.623 7.089 10.644 1.00 0.00 N ATOM 0 H ARG A 64 15.654 2.646 4.699 1.00 0.00 H new ATOM 0 HA ARG A 64 13.122 3.270 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.706 4.846 5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.336 5.389 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.543 3.440 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.844 2.798 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.116 3.863 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.930 5.198 7.458 1.00 0.00 H new ATOM 0 HE ARG A 64 14.837 5.010 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.943 6.361 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.846 7.715 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.720 6.751 10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.029 7.936 11.041 1.00 0.00 H new ATOM 980 N GLN A 65 14.137 5.255 3.390 1.00 0.00 N ATOM 981 CA GLN A 65 13.664 6.158 2.347 1.00 0.00 C ATOM 982 C GLN A 65 12.401 5.615 1.688 1.00 0.00 C ATOM 983 O GLN A 65 11.349 6.252 1.721 1.00 0.00 O ATOM 984 CB GLN A 65 14.753 6.369 1.294 1.00 0.00 C ATOM 985 CG GLN A 65 14.671 7.717 0.594 1.00 0.00 C ATOM 986 CD GLN A 65 14.582 8.875 1.568 1.00 0.00 C ATOM 987 OE1 GLN A 65 15.508 9.125 2.340 1.00 0.00 O ATOM 988 NE2 GLN A 65 13.464 9.591 1.537 1.00 0.00 N ATOM 0 H GLN A 65 15.152 5.173 3.449 1.00 0.00 H new ATOM 0 HA GLN A 65 13.426 7.115 2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.729 6.275 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.684 5.577 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.548 7.847 -0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.800 7.730 -0.061 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.721 9.349 0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.348 10.383 2.169 1.00 0.00 H new ATOM 997 N ASN A 66 12.513 4.434 1.088 1.00 0.00 N ATOM 998 CA ASN A 66 11.380 3.806 0.420 1.00 0.00 C ATOM 999 C ASN A 66 10.102 3.982 1.234 1.00 0.00 C ATOM 1000 O ASN A 66 9.087 4.455 0.723 1.00 0.00 O ATOM 1001 CB ASN A 66 11.654 2.317 0.196 1.00 0.00 C ATOM 1002 CG ASN A 66 12.668 2.075 -0.906 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.830 2.898 -1.806 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.355 0.941 -0.838 1.00 0.00 N ATOM 0 H ASN A 66 13.377 3.893 1.051 1.00 0.00 H new ATOM 0 HA ASN A 66 11.245 4.293 -0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.017 1.874 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.721 1.812 -0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.051 0.723 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.187 0.288 -0.073 1.00 0.00 H new ATOM 1011 N PHE A 67 10.159 3.598 2.505 1.00 0.00 N ATOM 1012 CA PHE A 67 9.007 3.713 3.391 1.00 0.00 C ATOM 1013 C PHE A 67 8.627 5.175 3.603 1.00 0.00 C ATOM 1014 O PHE A 67 7.469 5.556 3.436 1.00 0.00 O ATOM 1015 CB PHE A 67 9.305 3.052 4.739 1.00 0.00 C ATOM 1016 CG PHE A 67 9.023 1.576 4.758 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.829 0.694 4.057 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.951 1.072 5.477 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.571 -0.663 4.073 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.689 -0.285 5.497 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.500 -1.154 4.794 1.00 0.00 C ATOM 0 H PHE A 67 10.991 3.204 2.944 1.00 0.00 H new ATOM 0 HA PHE A 67 8.167 3.202 2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.352 3.217 4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.710 3.538 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.668 1.071 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.313 1.747 6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.207 -1.340 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.851 -0.665 6.062 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.297 -2.215 4.808 1.00 0.00 H new ATOM 1031 N GLU A 68 9.612 5.989 3.971 1.00 0.00 N ATOM 1032 CA GLU A 68 9.380 7.409 4.207 1.00 0.00 C ATOM 1033 C GLU A 68 8.645 8.044 3.030 1.00 0.00 C ATOM 1034 O GLU A 68 7.516 8.513 3.169 1.00 0.00 O ATOM 1035 CB GLU A 68 10.708 8.133 4.443 1.00 0.00 C ATOM 1036 CG GLU A 68 11.510 7.570 5.604 1.00 0.00 C ATOM 1037 CD GLU A 68 12.376 8.617 6.276 1.00 0.00 C ATOM 1038 OE1 GLU A 68 13.518 8.828 5.816 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.913 9.226 7.263 1.00 0.00 O ATOM 0 H GLU A 68 10.577 5.690 4.112 1.00 0.00 H new ATOM 0 HA GLU A 68 8.758 7.506 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.309 8.076 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.509 9.189 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.828 7.142 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.142 6.758 5.244 1.00 0.00 H new ATOM 1046 N VAL A 69 9.295 8.054 1.870 1.00 0.00 N ATOM 1047 CA VAL A 69 8.704 8.630 0.668 1.00 0.00 C ATOM 1048 C VAL A 69 7.280 8.127 0.460 1.00 0.00 C ATOM 1049 O VAL A 69 6.363 8.910 0.217 1.00 0.00 O ATOM 1050 CB VAL A 69 9.541 8.299 -0.582 1.00 0.00 C ATOM 1051 CG1 VAL A 69 8.874 8.851 -1.833 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.954 8.845 -0.437 1.00 0.00 C ATOM 0 H VAL A 69 10.231 7.670 1.738 1.00 0.00 H new ATOM 0 HA VAL A 69 8.687 9.711 0.810 1.00 0.00 H new ATOM 0 HB VAL A 69 9.603 7.215 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.480 8.607 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.884 8.408 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.780 9.934 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.531 8.602 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.915 9.927 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.429 8.397 0.436 1.00 0.00 H new ATOM 1062 N ALA A 70 7.103 6.813 0.558 1.00 0.00 N ATOM 1063 CA ALA A 70 5.790 6.205 0.384 1.00 0.00 C ATOM 1064 C ALA A 70 4.755 6.863 1.290 1.00 0.00 C ATOM 1065 O ALA A 70 3.641 7.164 0.861 1.00 0.00 O ATOM 1066 CB ALA A 70 5.860 4.710 0.658 1.00 0.00 C ATOM 0 H ALA A 70 7.852 6.150 0.757 1.00 0.00 H new ATOM 0 HA ALA A 70 5.480 6.360 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.872 4.269 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.562 4.246 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.196 4.543 1.681 1.00 0.00 H new ATOM 1072 N PHE A 71 5.130 7.082 2.546 1.00 0.00 N ATOM 1073 CA PHE A 71 4.233 7.703 3.514 1.00 0.00 C ATOM 1074 C PHE A 71 4.062 9.191 3.221 1.00 0.00 C ATOM 1075 O PHE A 71 2.951 9.664 2.982 1.00 0.00 O ATOM 1076 CB PHE A 71 4.769 7.510 4.934 1.00 0.00 C ATOM 1077 CG PHE A 71 4.698 6.088 5.413 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.483 5.425 5.479 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.846 5.415 5.799 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.414 4.117 5.919 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.783 4.106 6.239 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.565 3.457 6.301 1.00 0.00 C ATOM 0 H PHE A 71 6.048 6.839 2.917 1.00 0.00 H new ATOM 0 HA PHE A 71 3.259 7.220 3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.805 7.846 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.203 8.144 5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.579 5.937 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.800 5.919 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.461 3.611 5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.685 3.591 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.513 2.435 6.648 1.00 0.00 H new ATOM 1092 N SER A 72 5.171 9.923 3.242 1.00 0.00 N ATOM 1093 CA SER A 72 5.145 11.358 2.983 1.00 0.00 C ATOM 1094 C SER A 72 4.473 11.657 1.647 1.00 0.00 C ATOM 1095 O SER A 72 3.462 12.356 1.590 1.00 0.00 O ATOM 1096 CB SER A 72 6.566 11.925 2.991 1.00 0.00 C ATOM 1097 OG SER A 72 7.130 11.871 4.290 1.00 0.00 O ATOM 0 H SER A 72 6.099 9.546 3.436 1.00 0.00 H new ATOM 0 HA SER A 72 4.567 11.835 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.190 11.362 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.551 12.957 2.640 1.00 0.00 H new ATOM 0 HG SER A 72 8.039 12.238 4.268 1.00 0.00 H new ATOM 1103 N SER A 73 5.044 11.121 0.572 1.00 0.00 N ATOM 1104 CA SER A 73 4.503 11.333 -0.766 1.00 0.00 C ATOM 1105 C SER A 73 2.980 11.406 -0.731 1.00 0.00 C ATOM 1106 O SER A 73 2.376 12.286 -1.344 1.00 0.00 O ATOM 1107 CB SER A 73 4.949 10.209 -1.703 1.00 0.00 C ATOM 1108 OG SER A 73 4.385 8.968 -1.315 1.00 0.00 O ATOM 0 H SER A 73 5.880 10.537 0.602 1.00 0.00 H new ATOM 0 HA SER A 73 4.886 12.282 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.651 10.444 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.037 10.136 -1.696 1.00 0.00 H new ATOM 0 HG SER A 73 5.058 8.436 -0.841 1.00 0.00 H new ATOM 1114 N ALA A 74 2.365 10.475 -0.008 1.00 0.00 N ATOM 1115 CA ALA A 74 0.913 10.435 0.109 1.00 0.00 C ATOM 1116 C ALA A 74 0.392 11.630 0.901 1.00 0.00 C ATOM 1117 O ALA A 74 -0.259 12.516 0.348 1.00 0.00 O ATOM 1118 CB ALA A 74 0.472 9.134 0.764 1.00 0.00 C ATOM 0 H ALA A 74 2.850 9.739 0.505 1.00 0.00 H new ATOM 0 HA ALA A 74 0.491 10.486 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.615 9.118 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.803 8.291 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.911 9.060 1.759 1.00 0.00 H new ATOM 1124 N GLU A 75 0.684 11.648 2.198 1.00 0.00 N ATOM 1125 CA GLU A 75 0.243 12.734 3.064 1.00 0.00 C ATOM 1126 C GLU A 75 0.279 14.069 2.325 1.00 0.00 C ATOM 1127 O GLU A 75 -0.559 14.941 2.552 1.00 0.00 O ATOM 1128 CB GLU A 75 1.122 12.808 4.315 1.00 0.00 C ATOM 1129 CG GLU A 75 0.607 13.777 5.365 1.00 0.00 C ATOM 1130 CD GLU A 75 1.426 13.744 6.641 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.670 13.693 6.547 1.00 0.00 O ATOM 1132 OE2 GLU A 75 0.821 13.770 7.734 1.00 0.00 O ATOM 0 H GLU A 75 1.224 10.923 2.671 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.786 12.531 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.196 11.814 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.130 13.103 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.617 14.788 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.431 13.537 5.597 1.00 0.00 H new ATOM 1139 N THR A 76 1.258 14.221 1.438 1.00 0.00 N ATOM 1140 CA THR A 76 1.406 15.448 0.666 1.00 0.00 C ATOM 1141 C THR A 76 0.048 16.047 0.320 1.00 0.00 C ATOM 1142 O THR A 76 -0.308 17.124 0.800 1.00 0.00 O ATOM 1143 CB THR A 76 2.193 15.202 -0.635 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.487 14.669 -0.332 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.343 16.492 -1.428 1.00 0.00 C ATOM 0 H THR A 76 1.960 13.509 1.237 1.00 0.00 H new ATOM 0 HA THR A 76 1.961 16.149 1.290 1.00 0.00 H new ATOM 0 HB THR A 76 1.638 14.484 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.388 13.857 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.902 16.294 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.356 16.880 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.878 17.228 -0.828 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.709 15.343 -0.515 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.031 15.805 -0.924 1.00 0.00 C ATOM 1155 C HIS A 77 -3.119 14.879 -0.391 1.00 0.00 C ATOM 1156 O HIS A 77 -4.278 15.274 -0.267 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.116 15.887 -2.449 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.294 14.850 -3.151 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.471 15.139 -4.220 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.170 13.521 -2.931 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.122 14.032 -4.628 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.284 13.035 -3.862 1.00 0.00 N ATOM 0 H HIS A 77 -0.430 14.450 -0.922 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.188 16.799 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.157 15.780 -2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.790 16.876 -2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.674 12.949 -2.166 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.820 13.955 -5.448 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.012 12.063 -3.948 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.739 13.644 -0.079 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.682 12.663 0.441 1.00 0.00 C ATOM 1173 C ALA A 78 -3.883 12.837 1.943 1.00 0.00 C ATOM 1174 O ALA A 78 -4.946 12.521 2.477 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.202 11.253 0.132 1.00 0.00 C ATOM 0 H ALA A 78 -1.784 13.300 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.642 12.824 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.917 10.531 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.116 11.126 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.229 11.090 0.595 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.856 13.341 2.618 1.00 0.00 N ATOM 1182 CA ASP A 79 -2.921 13.558 4.059 1.00 0.00 C ATOM 1183 C ASP A 79 -3.229 12.256 4.791 1.00 0.00 C ATOM 1184 O ASP A 79 -3.799 12.266 5.882 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.982 14.608 4.391 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.647 15.394 5.643 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.446 15.630 5.892 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.585 15.774 6.374 1.00 0.00 O ATOM 0 H ASP A 79 -1.969 13.607 2.191 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.948 13.919 4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.084 15.295 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.947 14.117 4.521 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.849 11.137 4.183 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.086 9.826 4.776 1.00 0.00 C ATOM 1195 C CYS A 80 -2.484 9.745 6.175 1.00 0.00 C ATOM 1196 O CYS A 80 -1.403 10.270 6.444 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.497 8.728 3.890 1.00 0.00 C ATOM 1198 SG CYS A 80 -0.762 8.352 4.235 1.00 0.00 S ATOM 0 H CYS A 80 -2.376 11.112 3.280 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.163 9.680 4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.086 7.820 4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.592 9.028 2.846 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.339 9.106 5.206 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.199 9.074 7.090 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.755 8.909 8.477 1.00 0.00 C ATOM 1206 C PRO A 81 -1.550 7.981 8.594 1.00 0.00 C ATOM 1207 O PRO A 81 -1.621 6.810 8.225 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.974 8.293 9.169 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.718 7.601 8.080 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.496 8.422 6.840 1.00 0.00 C ATOM 0 HA PRO A 81 -2.430 9.852 8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.675 7.594 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.588 9.058 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.353 6.583 7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.780 7.531 8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.467 7.799 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.292 9.153 6.694 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.447 8.513 9.111 1.00 0.00 N ATOM 1219 CA GLN A 82 0.772 7.732 9.276 1.00 0.00 C ATOM 1220 C GLN A 82 0.621 6.718 10.406 1.00 0.00 C ATOM 1221 O GLN A 82 1.123 6.925 11.511 1.00 0.00 O ATOM 1222 CB GLN A 82 1.960 8.654 9.558 1.00 0.00 C ATOM 1223 CG GLN A 82 2.457 9.398 8.329 1.00 0.00 C ATOM 1224 CD GLN A 82 3.848 9.970 8.517 1.00 0.00 C ATOM 1225 OE1 GLN A 82 4.595 9.541 9.397 1.00 0.00 O ATOM 1226 NE2 GLN A 82 4.205 10.944 7.688 1.00 0.00 N ATOM 0 H GLN A 82 -0.373 9.481 9.423 1.00 0.00 H new ATOM 0 HA GLN A 82 0.954 7.190 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.674 9.379 10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.778 8.063 9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.459 8.721 7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.765 10.206 8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.554 11.269 6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.130 11.367 7.766 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.075 5.623 10.122 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.294 4.576 11.114 1.00 0.00 C ATOM 1237 C LEU A 83 0.982 3.774 11.349 1.00 0.00 C ATOM 1238 O LEU A 83 1.514 3.745 12.460 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.420 3.645 10.662 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.725 4.323 10.244 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.541 3.404 9.349 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.531 4.730 11.469 1.00 0.00 C ATOM 0 H LEU A 83 -0.498 5.437 9.213 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.580 5.052 12.052 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.058 3.051 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.638 2.951 11.474 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.480 5.223 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.466 3.904 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.966 3.162 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.776 2.486 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.456 5.211 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.766 3.845 12.060 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.949 5.426 12.073 1.00 0.00 H new ATOM 1254 N LEU A 84 1.470 3.126 10.297 1.00 0.00 N ATOM 1255 CA LEU A 84 2.685 2.325 10.388 1.00 0.00 C ATOM 1256 C LEU A 84 3.843 3.152 10.937 1.00 0.00 C ATOM 1257 O LEU A 84 3.887 4.370 10.761 1.00 0.00 O ATOM 1258 CB LEU A 84 3.052 1.761 9.014 1.00 0.00 C ATOM 1259 CG LEU A 84 2.000 0.872 8.351 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.297 0.708 6.868 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.940 -0.485 9.037 1.00 0.00 C ATOM 0 H LEU A 84 1.043 3.140 9.371 1.00 0.00 H new ATOM 0 HA LEU A 84 2.496 1.499 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.267 2.595 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.973 1.187 9.113 1.00 0.00 H new ATOM 0 HG LEU A 84 1.028 1.354 8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.538 0.072 6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.289 1.685 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.278 0.249 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.186 -1.105 8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.912 -0.973 8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.679 -0.351 10.087 1.00 0.00 H new ATOM 1273 N ASP A 85 4.780 2.483 11.599 1.00 0.00 N ATOM 1274 CA ASP A 85 5.941 3.156 12.171 1.00 0.00 C ATOM 1275 C ASP A 85 7.223 2.717 11.470 1.00 0.00 C ATOM 1276 O ASP A 85 7.875 1.759 11.887 1.00 0.00 O ATOM 1277 CB ASP A 85 6.039 2.865 13.669 1.00 0.00 C ATOM 1278 CG ASP A 85 5.042 3.669 14.481 1.00 0.00 C ATOM 1279 OD1 ASP A 85 3.852 3.290 14.503 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.451 4.678 15.094 1.00 0.00 O ATOM 0 H ASP A 85 4.759 1.475 11.753 1.00 0.00 H new ATOM 0 HA ASP A 85 5.817 4.229 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.871 1.802 13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.049 3.088 14.014 1.00 0.00 H new ATOM 1285 N THR A 86 7.579 3.423 10.402 1.00 0.00 N ATOM 1286 CA THR A 86 8.781 3.106 9.642 1.00 0.00 C ATOM 1287 C THR A 86 9.914 2.666 10.562 1.00 0.00 C ATOM 1288 O THR A 86 10.559 1.647 10.323 1.00 0.00 O ATOM 1289 CB THR A 86 9.252 4.311 8.806 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.169 4.813 8.015 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.410 3.922 7.900 1.00 0.00 C ATOM 0 H THR A 86 7.051 4.219 10.044 1.00 0.00 H new ATOM 0 HA THR A 86 8.523 2.287 8.971 1.00 0.00 H new ATOM 0 HB THR A 86 9.592 5.088 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.477 5.580 7.488 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.725 4.789 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.244 3.569 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.092 3.129 7.223 1.00 0.00 H new ATOM 1299 N GLU A 87 10.149 3.442 11.616 1.00 0.00 N ATOM 1300 CA GLU A 87 11.205 3.131 12.572 1.00 0.00 C ATOM 1301 C GLU A 87 11.103 1.684 13.044 1.00 0.00 C ATOM 1302 O GLU A 87 12.101 0.966 13.100 1.00 0.00 O ATOM 1303 CB GLU A 87 11.130 4.077 13.773 1.00 0.00 C ATOM 1304 CG GLU A 87 11.882 5.381 13.568 1.00 0.00 C ATOM 1305 CD GLU A 87 13.338 5.287 13.980 1.00 0.00 C ATOM 1306 OE1 GLU A 87 13.620 4.651 15.017 1.00 0.00 O ATOM 1307 OE2 GLU A 87 14.195 5.849 13.267 1.00 0.00 O ATOM 0 H GLU A 87 9.623 4.289 11.829 1.00 0.00 H new ATOM 0 HA GLU A 87 12.164 3.265 12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.084 4.300 13.985 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.532 3.570 14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.823 5.668 12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.396 6.170 14.142 1.00 0.00 H new ATOM 1314 N ASP A 88 9.889 1.262 13.382 1.00 0.00 N ATOM 1315 CA ASP A 88 9.655 -0.100 13.848 1.00 0.00 C ATOM 1316 C ASP A 88 9.649 -1.080 12.680 1.00 0.00 C ATOM 1317 O ASP A 88 10.062 -2.231 12.821 1.00 0.00 O ATOM 1318 CB ASP A 88 8.329 -0.181 14.607 1.00 0.00 C ATOM 1319 CG ASP A 88 8.284 0.759 15.795 1.00 0.00 C ATOM 1320 OD1 ASP A 88 8.919 0.447 16.824 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.613 1.808 15.696 1.00 0.00 O ATOM 0 H ASP A 88 9.052 1.844 13.342 1.00 0.00 H new ATOM 0 HA ASP A 88 10.467 -0.372 14.522 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.510 0.057 13.928 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.172 -1.204 14.950 1.00 0.00 H new ATOM 1326 N MET A 89 9.175 -0.617 11.528 1.00 0.00 N ATOM 1327 CA MET A 89 9.115 -1.454 10.335 1.00 0.00 C ATOM 1328 C MET A 89 10.507 -1.931 9.935 1.00 0.00 C ATOM 1329 O MET A 89 10.703 -3.102 9.608 1.00 0.00 O ATOM 1330 CB MET A 89 8.474 -0.685 9.178 1.00 0.00 C ATOM 1331 CG MET A 89 7.063 -0.204 9.476 1.00 0.00 C ATOM 1332 SD MET A 89 5.877 -1.558 9.586 1.00 0.00 S ATOM 1333 CE MET A 89 5.248 -1.594 7.909 1.00 0.00 C ATOM 0 H MET A 89 8.827 0.333 11.395 1.00 0.00 H new ATOM 0 HA MET A 89 8.504 -2.327 10.564 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.098 0.175 8.934 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.452 -1.324 8.295 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.063 0.351 10.414 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.747 0.488 8.696 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.342 -2.198 7.873 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.020 -0.579 7.584 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.999 -2.027 7.248 1.00 0.00 H new ATOM 1343 N VAL A 90 11.472 -1.017 9.961 1.00 0.00 N ATOM 1344 CA VAL A 90 12.846 -1.345 9.602 1.00 0.00 C ATOM 1345 C VAL A 90 13.358 -2.530 10.412 1.00 0.00 C ATOM 1346 O VAL A 90 13.649 -3.592 9.862 1.00 0.00 O ATOM 1347 CB VAL A 90 13.785 -0.143 9.820 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.237 -0.596 9.833 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.557 0.912 8.748 1.00 0.00 C ATOM 0 H VAL A 90 11.327 -0.043 10.227 1.00 0.00 H new ATOM 0 HA VAL A 90 12.843 -1.607 8.544 1.00 0.00 H new ATOM 0 HB VAL A 90 13.559 0.302 10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.886 0.266 9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.387 -1.313 10.640 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.480 -1.066 8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.228 1.754 8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.755 0.482 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.524 1.257 8.791 1.00 0.00 H new ATOM 1359 N ARG A 91 13.466 -2.340 11.723 1.00 0.00 N ATOM 1360 CA ARG A 91 13.944 -3.394 12.611 1.00 0.00 C ATOM 1361 C ARG A 91 13.061 -4.634 12.508 1.00 0.00 C ATOM 1362 O ARG A 91 13.555 -5.761 12.482 1.00 0.00 O ATOM 1363 CB ARG A 91 13.977 -2.896 14.057 1.00 0.00 C ATOM 1364 CG ARG A 91 12.690 -2.219 14.497 1.00 0.00 C ATOM 1365 CD ARG A 91 12.774 -1.747 15.940 1.00 0.00 C ATOM 1366 NE ARG A 91 12.706 -2.858 16.885 1.00 0.00 N ATOM 1367 CZ ARG A 91 12.299 -2.729 18.143 1.00 0.00 C ATOM 1368 NH1 ARG A 91 11.925 -1.544 18.604 1.00 0.00 N ATOM 1369 NH2 ARG A 91 12.264 -3.788 18.942 1.00 0.00 N ATOM 0 H ARG A 91 13.229 -1.467 12.194 1.00 0.00 H new ATOM 0 HA ARG A 91 14.955 -3.663 12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.179 -3.739 14.718 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.804 -2.195 14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.484 -1.369 13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.857 -2.913 14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.706 -1.201 16.089 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.961 -1.050 16.141 1.00 0.00 H new ATOM 0 HE ARG A 91 12.986 -3.784 16.562 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.949 -0.728 17.992 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.613 -1.448 19.570 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.550 -4.702 18.590 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.951 -3.688 19.908 1.00 0.00 H new ATOM 1383 N LEU A 92 11.751 -4.417 12.451 1.00 0.00 N ATOM 1384 CA LEU A 92 10.798 -5.517 12.352 1.00 0.00 C ATOM 1385 C LEU A 92 11.128 -6.419 11.167 1.00 0.00 C ATOM 1386 O LEU A 92 11.055 -5.995 10.013 1.00 0.00 O ATOM 1387 CB LEU A 92 9.375 -4.973 12.213 1.00 0.00 C ATOM 1388 CG LEU A 92 8.698 -4.525 13.509 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.463 -3.691 13.206 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.334 -5.729 14.365 1.00 0.00 C ATOM 0 H LEU A 92 11.325 -3.490 12.472 1.00 0.00 H new ATOM 0 HA LEU A 92 10.867 -6.109 13.265 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.396 -4.127 11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.757 -5.743 11.751 1.00 0.00 H new ATOM 0 HG LEU A 92 9.400 -3.907 14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.995 -3.381 14.140 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.751 -2.809 12.635 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.757 -4.284 12.625 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.853 -5.391 15.283 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.650 -6.374 13.814 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.238 -6.286 14.613 1.00 0.00 H new ATOM 1402 N ARG A 93 11.488 -7.664 11.460 1.00 0.00 N ATOM 1403 CA ARG A 93 11.828 -8.626 10.418 1.00 0.00 C ATOM 1404 C ARG A 93 10.890 -8.487 9.223 1.00 0.00 C ATOM 1405 O ARG A 93 11.316 -8.583 8.073 1.00 0.00 O ATOM 1406 CB ARG A 93 11.761 -10.051 10.969 1.00 0.00 C ATOM 1407 CG ARG A 93 12.199 -11.111 9.972 1.00 0.00 C ATOM 1408 CD ARG A 93 13.693 -11.036 9.699 1.00 0.00 C ATOM 1409 NE ARG A 93 14.476 -11.652 10.767 1.00 0.00 N ATOM 1410 CZ ARG A 93 14.736 -12.953 10.831 1.00 0.00 C ATOM 1411 NH1 ARG A 93 14.279 -13.771 9.893 1.00 0.00 N ATOM 1412 NH2 ARG A 93 15.456 -13.438 11.834 1.00 0.00 N ATOM 0 H ARG A 93 11.552 -8.030 12.410 1.00 0.00 H new ATOM 0 HA ARG A 93 12.845 -8.419 10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.389 -10.118 11.857 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.739 -10.262 11.285 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.948 -12.099 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.651 -10.983 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.914 -11.533 8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.989 -9.993 9.588 1.00 0.00 H new ATOM 0 HE ARG A 93 14.843 -11.050 11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.726 -13.402 9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.480 -14.770 9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.810 -12.812 12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.655 -14.437 11.882 1.00 0.00 H new ATOM 1426 N GLU A 94 9.610 -8.261 9.504 1.00 0.00 N ATOM 1427 CA GLU A 94 8.612 -8.110 8.452 1.00 0.00 C ATOM 1428 C GLU A 94 7.341 -7.465 8.996 1.00 0.00 C ATOM 1429 O GLU A 94 6.935 -7.697 10.135 1.00 0.00 O ATOM 1430 CB GLU A 94 8.282 -9.471 7.833 1.00 0.00 C ATOM 1431 CG GLU A 94 7.645 -10.445 8.810 1.00 0.00 C ATOM 1432 CD GLU A 94 7.553 -11.852 8.254 1.00 0.00 C ATOM 1433 OE1 GLU A 94 8.547 -12.600 8.364 1.00 0.00 O ATOM 1434 OE2 GLU A 94 6.487 -12.206 7.707 1.00 0.00 O ATOM 0 H GLU A 94 9.240 -8.179 10.451 1.00 0.00 H new ATOM 0 HA GLU A 94 9.028 -7.460 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.608 -9.323 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.197 -9.912 7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.225 -10.460 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.646 -10.094 9.068 1.00 0.00 H new ATOM 1441 N PRO A 95 6.697 -6.633 8.163 1.00 0.00 N ATOM 1442 CA PRO A 95 5.463 -5.936 8.538 1.00 0.00 C ATOM 1443 C PRO A 95 4.277 -6.886 8.664 1.00 0.00 C ATOM 1444 O PRO A 95 3.822 -7.462 7.675 1.00 0.00 O ATOM 1445 CB PRO A 95 5.244 -4.957 7.381 1.00 0.00 C ATOM 1446 CG PRO A 95 5.940 -5.580 6.221 1.00 0.00 C ATOM 1447 CD PRO A 95 7.124 -6.310 6.791 1.00 0.00 C ATOM 0 HA PRO A 95 5.546 -5.454 9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.183 -4.816 7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.657 -3.975 7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.278 -6.265 5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.257 -4.823 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.355 -7.209 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.020 -5.689 6.785 1.00 0.00 H new ATOM 1455 N ASP A 96 3.779 -7.045 9.885 1.00 0.00 N ATOM 1456 CA ASP A 96 2.644 -7.924 10.141 1.00 0.00 C ATOM 1457 C ASP A 96 1.502 -7.630 9.173 1.00 0.00 C ATOM 1458 O ASP A 96 1.168 -6.472 8.924 1.00 0.00 O ATOM 1459 CB ASP A 96 2.162 -7.763 11.583 1.00 0.00 C ATOM 1460 CG ASP A 96 3.303 -7.522 12.552 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.922 -6.441 12.481 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.576 -8.416 13.380 1.00 0.00 O ATOM 0 H ASP A 96 4.144 -6.576 10.714 1.00 0.00 H new ATOM 0 HA ASP A 96 2.970 -8.953 9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.461 -6.930 11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.618 -8.658 11.883 1.00 0.00 H new ATOM 1467 N TRP A 97 0.907 -8.687 8.631 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.197 -8.542 7.689 1.00 0.00 C ATOM 1469 C TRP A 97 -1.297 -7.661 8.272 1.00 0.00 C ATOM 1470 O TRP A 97 -1.807 -6.763 7.602 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.766 -9.914 7.324 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.104 -10.754 8.518 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.253 -11.558 9.222 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.385 -10.874 9.147 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.928 -12.171 10.250 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.237 -11.768 10.226 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.641 -10.313 8.904 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.299 -12.111 11.058 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.695 -10.655 9.731 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.518 -11.547 10.797 1.00 0.00 C ATOM 0 H TRP A 97 1.170 -9.653 8.827 1.00 0.00 H new ATOM 0 HA TRP A 97 0.187 -8.064 6.788 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.662 -9.778 6.719 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.043 -10.447 6.707 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.796 -11.692 9.003 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.520 -12.821 10.922 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.786 -9.624 8.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.165 -12.798 11.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.671 -10.228 9.552 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.361 -11.794 11.425 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.659 -7.924 9.523 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.698 -7.154 10.197 1.00 0.00 C ATOM 1493 C LYS A 98 -2.448 -5.656 10.048 1.00 0.00 C ATOM 1494 O LYS A 98 -3.374 -4.885 9.793 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.757 -7.527 11.680 1.00 0.00 C ATOM 1496 CG LYS A 98 -3.262 -8.937 11.933 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.986 -9.380 13.360 1.00 0.00 C ATOM 1498 CE LYS A 98 -1.537 -9.805 13.542 1.00 0.00 C ATOM 1499 NZ LYS A 98 -0.662 -8.654 13.896 1.00 0.00 N ATOM 0 H LYS A 98 -1.248 -8.665 10.091 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.653 -7.393 9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.762 -7.424 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.404 -6.820 12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.334 -8.981 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.783 -9.626 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.216 -8.565 14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.645 -10.209 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.476 -10.562 14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.176 -10.267 12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.006 -8.941 14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.133 -8.349 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.247 -7.867 14.241 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.193 -5.252 10.207 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.822 -3.846 10.090 1.00 0.00 C ATOM 1515 C CYS A 99 -0.919 -3.377 8.641 1.00 0.00 C ATOM 1516 O CYS A 99 -1.695 -2.478 8.320 1.00 0.00 O ATOM 1517 CB CYS A 99 0.597 -3.626 10.616 1.00 0.00 C ATOM 1518 SG CYS A 99 0.745 -3.748 12.414 1.00 0.00 S ATOM 0 H CYS A 99 -0.415 -5.877 10.417 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.519 -3.261 10.690 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.261 -4.359 10.157 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.942 -2.641 10.300 1.00 0.00 H new ATOM 0 HG CYS A 99 1.982 -3.549 12.762 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.125 -3.993 7.771 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.120 -3.638 6.357 1.00 0.00 C ATOM 1526 C VAL A 100 -1.540 -3.460 5.831 1.00 0.00 C ATOM 1527 O VAL A 100 -1.858 -2.449 5.203 1.00 0.00 O ATOM 1528 CB VAL A 100 0.598 -4.708 5.513 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.541 -4.349 4.036 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.037 -4.873 5.975 1.00 0.00 C ATOM 0 H VAL A 100 0.523 -4.740 8.021 1.00 0.00 H new ATOM 0 HA VAL A 100 0.418 -2.694 6.269 1.00 0.00 H new ATOM 0 HB VAL A 100 0.085 -5.660 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.053 -5.116 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.499 -4.286 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.028 -3.387 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.529 -5.633 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.564 -3.925 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.050 -5.180 7.021 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.390 -4.446 6.091 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.776 -4.400 5.642 1.00 0.00 C ATOM 1542 C TYR A 101 -4.437 -3.086 6.049 1.00 0.00 C ATOM 1543 O TYR A 101 -5.069 -2.415 5.233 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.561 -5.578 6.220 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.010 -5.611 5.787 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.910 -4.652 6.232 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.477 -6.602 4.932 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.235 -4.678 5.840 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.800 -6.635 4.533 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.675 -5.672 4.990 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.993 -5.701 4.596 1.00 0.00 O ATOM 0 H TYR A 101 -2.143 -5.288 6.611 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.781 -4.467 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.079 -6.508 5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.517 -5.534 7.308 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.569 -3.872 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.795 -7.359 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.922 -3.925 6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.147 -7.411 3.867 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.349 -4.788 4.576 1.00 0.00 H new ATOM 1561 N THR A 102 -4.285 -2.723 7.320 1.00 0.00 N ATOM 1562 CA THR A 102 -4.865 -1.491 7.837 1.00 0.00 C ATOM 1563 C THR A 102 -4.490 -0.298 6.966 1.00 0.00 C ATOM 1564 O THR A 102 -5.358 0.444 6.505 1.00 0.00 O ATOM 1565 CB THR A 102 -4.410 -1.220 9.284 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.660 -2.369 10.100 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.134 -0.013 9.862 1.00 0.00 C ATOM 0 H THR A 102 -3.765 -3.266 8.009 1.00 0.00 H new ATOM 0 HA THR A 102 -5.947 -1.621 7.822 1.00 0.00 H new ATOM 0 HB THR A 102 -3.340 -1.010 9.272 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.991 -3.059 9.907 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.796 0.159 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.917 0.866 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.208 -0.198 9.861 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.193 -0.119 6.743 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.703 0.986 5.928 1.00 0.00 C ATOM 1577 C TYR A 103 -3.335 0.961 4.539 1.00 0.00 C ATOM 1578 O TYR A 103 -3.879 1.963 4.074 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.179 0.923 5.808 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.573 2.138 5.142 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.625 3.386 5.749 1.00 0.00 C ATOM 1582 CD2 TYR A 103 0.052 2.036 3.905 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.074 4.498 5.144 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.608 3.143 3.293 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.542 4.372 3.916 1.00 0.00 C ATOM 1586 OH TYR A 103 1.094 5.477 3.310 1.00 0.00 O ATOM 0 H TYR A 103 -2.462 -0.725 7.115 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.984 1.918 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.749 0.812 6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.904 0.033 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.105 3.488 6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.104 1.076 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.125 5.461 5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.092 3.047 2.332 1.00 0.00 H new ATOM 0 HH TYR A 103 0.595 6.278 3.573 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.259 -0.192 3.883 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.824 -0.350 2.549 1.00 0.00 C ATOM 1598 C ILE A 104 -5.297 0.042 2.526 1.00 0.00 C ATOM 1599 O ILE A 104 -5.712 0.885 1.731 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.683 -1.799 2.045 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.209 -2.209 2.015 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.307 -1.943 0.665 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.361 -1.350 1.103 1.00 0.00 C ATOM 0 H ILE A 104 -2.812 -1.030 4.254 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.263 0.312 1.889 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.211 -2.461 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.806 -2.159 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.136 -3.248 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.199 -2.972 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.365 -1.686 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.804 -1.274 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.328 -1.698 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.739 -1.419 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.404 -0.313 1.436 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.082 -0.574 3.404 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.509 -0.287 3.486 1.00 0.00 C ATOM 1617 C GLN A 105 -7.753 1.197 3.736 1.00 0.00 C ATOM 1618 O GLN A 105 -8.625 1.805 3.115 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.155 -1.116 4.597 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.658 -0.919 4.709 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.354 -0.962 3.363 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.741 0.072 2.818 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -10.518 -2.163 2.820 1.00 0.00 N ATOM 0 H GLN A 105 -5.754 -1.275 4.068 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.962 -0.555 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.948 -2.171 4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.691 -0.857 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.075 -1.692 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.860 0.039 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.181 -2.993 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.981 -2.255 1.916 1.00 0.00 H new ATOM 1632 N GLU A 106 -6.978 1.774 4.648 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.112 3.188 4.980 1.00 0.00 C ATOM 1634 C GLU A 106 -6.853 4.061 3.756 1.00 0.00 C ATOM 1635 O GLU A 106 -7.692 4.877 3.373 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.143 3.565 6.103 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.449 4.907 6.746 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.710 4.877 7.588 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.797 4.643 7.020 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.608 5.086 8.815 1.00 0.00 O ATOM 0 H GLU A 106 -6.251 1.285 5.170 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.134 3.360 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.169 2.790 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.129 3.585 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.607 5.207 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.554 5.663 5.968 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.686 3.884 3.146 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.316 4.656 1.966 1.00 0.00 C ATOM 1649 C PHE A 107 -6.376 4.526 0.876 1.00 0.00 C ATOM 1650 O PHE A 107 -6.826 5.524 0.311 1.00 0.00 O ATOM 1651 CB PHE A 107 -3.959 4.191 1.431 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.276 5.209 0.564 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.015 6.483 1.042 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.895 4.893 -0.730 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.386 7.422 0.247 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.265 5.827 -1.530 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.012 7.094 -1.042 1.00 0.00 C ATOM 0 H PHE A 107 -4.980 3.213 3.449 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.245 5.704 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.310 3.948 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.098 3.273 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.307 6.745 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.093 3.905 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.187 8.411 0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.971 5.566 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.523 7.827 -1.667 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.769 3.291 0.586 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.774 3.030 -0.438 1.00 0.00 C ATOM 1669 C TYR A 108 -8.979 3.951 -0.267 1.00 0.00 C ATOM 1670 O TYR A 108 -9.442 4.569 -1.225 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.223 1.569 -0.381 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.143 1.173 -1.514 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.519 1.319 -1.400 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.634 0.654 -2.698 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.363 0.957 -2.432 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.470 0.291 -3.736 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.834 0.445 -3.598 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.672 0.085 -4.629 1.00 0.00 O ATOM 0 H TYR A 108 -6.407 2.455 1.045 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.324 3.227 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.343 0.926 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.730 1.390 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.937 1.722 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.567 0.532 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.431 1.074 -2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.058 -0.111 -4.650 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.141 -0.256 -5.378 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.480 4.036 0.961 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.631 4.880 1.259 1.00 0.00 C ATOM 1690 C ARG A 109 -10.386 6.315 0.799 1.00 0.00 C ATOM 1691 O ARG A 109 -11.278 6.961 0.248 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.931 4.858 2.759 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.076 5.772 3.164 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.061 6.055 4.658 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.402 6.305 5.181 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.238 5.341 5.551 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -13.873 4.070 5.456 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -15.441 5.648 6.018 1.00 0.00 N ATOM 0 H ARG A 109 -9.107 3.531 1.765 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.490 4.485 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.169 3.837 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.034 5.150 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.006 6.710 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.025 5.312 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.619 5.208 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.427 6.919 4.857 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.713 7.272 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.948 3.830 5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.517 3.332 5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.725 6.625 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.082 4.907 6.302 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.174 6.806 1.031 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.813 8.165 0.642 1.00 0.00 C ATOM 1714 C CYS A 110 -8.835 8.320 -0.875 1.00 0.00 C ATOM 1715 O CYS A 110 -9.423 9.264 -1.405 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.427 8.521 1.184 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.294 8.433 2.985 1.00 0.00 S ATOM 0 H CYS A 110 -8.425 6.284 1.486 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.548 8.847 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.692 7.848 0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.170 9.530 0.860 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.415 7.197 3.369 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.189 7.389 -1.569 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.133 7.423 -3.026 1.00 0.00 C ATOM 1725 C LEU A 111 -9.535 7.434 -3.625 1.00 0.00 C ATOM 1726 O LEU A 111 -9.897 8.346 -4.369 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.349 6.220 -3.554 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.005 5.946 -2.879 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.450 4.601 -3.322 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.016 7.061 -3.189 1.00 0.00 C ATOM 0 H LEU A 111 -7.697 6.602 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.624 8.340 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.972 5.332 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.175 6.365 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.161 5.914 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.493 4.423 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.150 3.811 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.309 4.604 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.065 6.850 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.865 7.124 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.410 8.009 -2.822 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.322 6.415 -3.295 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.687 6.308 -3.797 1.00 0.00 C ATOM 1744 C VAL A 112 -12.405 7.651 -3.727 1.00 0.00 C ATOM 1745 O VAL A 112 -13.103 8.042 -4.663 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.496 5.264 -3.005 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -13.924 5.188 -3.526 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -11.821 3.902 -3.075 1.00 0.00 C ATOM 0 H VAL A 112 -10.038 5.651 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.618 5.990 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.531 5.573 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.481 4.445 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.403 6.161 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.913 4.903 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.406 3.176 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.753 3.583 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.819 3.970 -2.650 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.227 8.354 -2.613 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.859 9.654 -2.422 1.00 0.00 C ATOM 1760 C GLN A 113 -12.169 10.723 -3.262 1.00 0.00 C ATOM 1761 O GLN A 113 -12.823 11.583 -3.852 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.824 10.048 -0.944 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.789 9.253 -0.080 1.00 0.00 C ATOM 1764 CD GLN A 113 -15.198 9.239 -0.639 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -15.675 10.238 -1.178 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -15.874 8.103 -0.513 1.00 0.00 N ATOM 0 H GLN A 113 -11.651 8.045 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.897 9.577 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.812 9.911 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -13.058 11.109 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.429 8.228 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.805 9.677 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.440 7.299 -0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -16.827 8.034 -0.870 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.842 10.665 -3.311 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.062 11.627 -4.080 1.00 0.00 C ATOM 1777 C LYS A 114 -10.495 11.635 -5.542 1.00 0.00 C ATOM 1778 O LYS A 114 -10.543 12.686 -6.180 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.570 11.300 -3.981 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.889 11.924 -2.775 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.767 13.432 -2.922 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.572 13.813 -3.783 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.701 15.192 -4.331 1.00 0.00 N ATOM 0 H LYS A 114 -10.284 9.961 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.240 12.618 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.446 10.218 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.071 11.643 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.456 11.690 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.898 11.488 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.679 13.830 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.667 13.888 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.660 13.741 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.475 13.103 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.867 15.414 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.558 15.254 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.768 15.872 -3.547 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.812 10.456 -6.068 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.239 10.350 -7.451 1.00 0.00 C ATOM 1799 C GLY A 115 -10.218 9.643 -8.320 1.00 0.00 C ATOM 1800 O GLY A 115 -10.086 9.945 -9.507 1.00 0.00 O ATOM 0 H GLY A 115 -10.781 9.572 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.185 9.811 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.422 11.348 -7.849 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.493 8.700 -7.730 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.477 7.947 -8.458 1.00 0.00 C ATOM 1806 C LEU A 116 -8.998 6.570 -8.853 1.00 0.00 C ATOM 1807 O LEU A 116 -8.897 6.165 -10.012 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.214 7.802 -7.607 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.413 9.083 -7.370 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.588 8.969 -6.097 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.517 9.380 -8.563 1.00 0.00 C ATOM 0 H LEU A 116 -9.589 8.438 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.234 8.497 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.498 7.391 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.560 7.072 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.113 9.910 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.025 9.890 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.251 8.804 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.896 8.131 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.955 10.295 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.824 8.552 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.130 9.506 -9.456 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.558 5.854 -7.884 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.099 4.522 -8.131 1.00 0.00 C ATOM 1825 C VAL A 117 -11.623 4.546 -8.164 1.00 0.00 C ATOM 1826 O VAL A 117 -12.264 5.190 -7.332 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.635 3.520 -7.058 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.258 2.153 -7.299 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.117 3.427 -7.037 1.00 0.00 C ATOM 0 H VAL A 117 -9.649 6.174 -6.920 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.722 4.202 -9.103 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.968 3.878 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.919 1.458 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.344 2.236 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.958 1.784 -8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.807 2.714 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.759 3.093 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.696 4.407 -6.812 1.00 0.00 H new