USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 16 TYR OH : rot -15:sc= 0.67 USER MOD Set 1.2: A 68 SER OG : rot 2:sc= 1.7 USER MOD Set 1.3: A 72 LYS NZ :NH3+ -129:sc= 1.86 (180deg=-0.169) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -7.97! C(o=-15!,f=-18!) USER MOD Set 2.2: A 39 GLN : amide:sc= -6.06! C(o=-15!,f=-18!) USER MOD Set 2.3: A 76 ASN :FLIP amide:sc= -1.4 F(o=-17,f=-15) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.925 K(o=-0.48,f=-4.4) USER MOD Set 3.2: A 59 HIS : no HE2:sc= 0.442 K(o=-0.48,f=-11!) USER MOD Set 4.1: A 5 GLN : amide:sc= 1.05 K(o=2.2,f=-11!) USER MOD Set 4.2: A 9 LYS NZ :NH3+ 126:sc= 1.13 (180deg=-0.755) USER MOD Single : A 8 SER OG : rot 180:sc= -0.486 USER MOD Single : A 10 MET CE :methyl 154:sc= -6.27! (180deg=-9.01!) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 0.114 (180deg=-2.18!) USER MOD Single : A 15 THR OG1 : rot -73:sc= -1.23 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.12! C(o=-2.1!,f=-7.9!) USER MOD Single : A 36 ASN : amide:sc= 0.619 K(o=0.62,f=-3.7!) USER MOD Single : A 37 GLN : amide:sc=-0.00776 X(o=-0.0078,f=-0.047) USER MOD Single : A 40 SER OG : rot -40:sc= 0.697 USER MOD Single : A 41 SER OG : rot -137:sc= 0.802 USER MOD Single : A 45 GLN : amide:sc= -1.11! X(o=-1.1!,f=-1) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.38 X(o=-2.4,f=-2) USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= 2.12 (180deg=0.0408) USER MOD Single : A 60 ASN : amide:sc= 0.725 K(o=0.72,f=-0.072) USER MOD Single : A 62 ASN : amide:sc= -1.83! C(o=-1.8!,f=-7.6!) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= -12! C(o=-12!,f=-21!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.28 K(o=0.28,f=-0.25) USER MOD Single : A 79 TYR OH : rot 15:sc= -0.861 USER MOD Single : A 80 THR OG1 : rot -150:sc= -2.18 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 170:sc= 0.863 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -4.686 4.593 5.710 1.00 0.00 N ATOM 37 CA CYS A 3 -3.351 5.247 5.872 1.00 0.00 C ATOM 38 C CYS A 3 -2.645 4.786 7.199 1.00 0.00 C ATOM 39 O CYS A 3 -1.454 4.527 7.241 1.00 0.00 O ATOM 40 CB CYS A 3 -3.691 6.736 5.727 1.00 0.00 C ATOM 41 SG CYS A 3 -4.544 7.120 4.169 1.00 0.00 S ATOM 0 HA CYS A 3 -2.591 4.973 5.140 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.318 7.043 6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.773 7.320 5.786 1.00 0.00 H new ATOM 46 N GLY A 4 -3.411 4.680 8.260 1.00 0.00 N ATOM 47 CA GLY A 4 -2.845 4.225 9.592 1.00 0.00 C ATOM 48 C GLY A 4 -1.981 2.946 9.431 1.00 0.00 C ATOM 49 O GLY A 4 -0.816 2.906 9.783 1.00 0.00 O ATOM 0 H GLY A 4 -4.410 4.888 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.241 5.023 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.661 4.030 10.288 1.00 0.00 H new ATOM 53 N GLN A 5 -2.598 1.920 8.892 1.00 0.00 N ATOM 54 CA GLN A 5 -1.882 0.620 8.671 1.00 0.00 C ATOM 55 C GLN A 5 -0.891 0.779 7.507 1.00 0.00 C ATOM 56 O GLN A 5 0.177 0.203 7.520 1.00 0.00 O ATOM 57 CB GLN A 5 -2.915 -0.502 8.353 1.00 0.00 C ATOM 58 CG GLN A 5 -3.813 -0.764 9.606 1.00 0.00 C ATOM 59 CD GLN A 5 -4.292 -2.213 9.644 1.00 0.00 C ATOM 60 OE1 GLN A 5 -3.696 -3.056 10.274 1.00 0.00 O ATOM 61 NE2 GLN A 5 -5.347 -2.551 8.985 1.00 0.00 N ATOM 0 H GLN A 5 -3.573 1.927 8.594 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.334 0.344 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.534 -0.210 7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.396 -1.417 8.068 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.252 -0.539 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.672 -0.094 9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.860 -1.851 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.669 -3.519 8.999 1.00 0.00 H new ATOM 70 N VAL A 6 -1.306 1.543 6.533 1.00 0.00 N ATOM 71 CA VAL A 6 -0.469 1.839 5.311 1.00 0.00 C ATOM 72 C VAL A 6 0.973 2.065 5.822 1.00 0.00 C ATOM 73 O VAL A 6 1.969 1.516 5.387 1.00 0.00 O ATOM 74 CB VAL A 6 -1.138 3.087 4.667 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.242 4.319 4.447 1.00 0.00 C ATOM 76 CG2 VAL A 6 -2.006 2.751 3.467 1.00 0.00 C ATOM 0 H VAL A 6 -2.221 1.994 6.525 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.415 1.055 4.555 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.808 3.426 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.828 5.118 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.152 4.658 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.585 4.055 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.442 3.666 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.397 2.273 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.803 2.073 3.773 1.00 0.00 H new ATOM 86 N ASP A 7 1.008 2.929 6.796 1.00 0.00 N ATOM 87 CA ASP A 7 2.285 3.291 7.448 1.00 0.00 C ATOM 88 C ASP A 7 2.645 2.235 8.524 1.00 0.00 C ATOM 89 O ASP A 7 3.564 1.462 8.329 1.00 0.00 O ATOM 90 CB ASP A 7 2.054 4.708 8.019 1.00 0.00 C ATOM 91 CG ASP A 7 3.240 5.170 8.852 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.476 4.521 9.855 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.881 6.136 8.486 1.00 0.00 O ATOM 0 H ASP A 7 0.188 3.405 7.171 1.00 0.00 H new ATOM 0 HA ASP A 7 3.137 3.301 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.887 5.409 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.153 4.713 8.632 1.00 0.00 H new ATOM 98 N SER A 8 1.915 2.199 9.608 1.00 0.00 N ATOM 99 CA SER A 8 2.162 1.238 10.726 1.00 0.00 C ATOM 100 C SER A 8 2.597 -0.163 10.313 1.00 0.00 C ATOM 101 O SER A 8 3.300 -0.827 11.052 1.00 0.00 O ATOM 102 CB SER A 8 0.887 1.146 11.558 1.00 0.00 C ATOM 103 OG SER A 8 1.144 0.122 12.513 1.00 0.00 O ATOM 0 H SER A 8 1.125 2.823 9.770 1.00 0.00 H new ATOM 0 HA SER A 8 3.008 1.636 11.286 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.665 2.095 12.047 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.027 0.899 10.936 1.00 0.00 H new ATOM 0 HG SER A 8 0.360 0.008 13.089 1.00 0.00 H new ATOM 109 N LYS A 9 2.135 -0.571 9.168 1.00 0.00 N ATOM 110 CA LYS A 9 2.461 -1.911 8.625 1.00 0.00 C ATOM 111 C LYS A 9 3.271 -1.866 7.313 1.00 0.00 C ATOM 112 O LYS A 9 4.205 -2.626 7.179 1.00 0.00 O ATOM 113 CB LYS A 9 1.142 -2.684 8.366 1.00 0.00 C ATOM 114 CG LYS A 9 0.005 -2.420 9.386 1.00 0.00 C ATOM 115 CD LYS A 9 0.488 -2.525 10.848 1.00 0.00 C ATOM 116 CE LYS A 9 -0.659 -2.482 11.824 1.00 0.00 C ATOM 117 NZ LYS A 9 -1.465 -3.722 11.618 1.00 0.00 N ATOM 0 H LYS A 9 1.527 -0.012 8.570 1.00 0.00 H new ATOM 0 HA LYS A 9 3.084 -2.408 9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.780 -2.428 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.362 -3.752 8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.410 -1.427 9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.801 -3.135 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.043 -3.454 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.177 -1.708 11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.290 -2.429 12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.270 -1.595 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.571 -4.222 12.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.404 -3.468 11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.982 -4.341 10.936 1.00 0.00 H new ATOM 131 N MET A 10 2.934 -1.008 6.372 1.00 0.00 N ATOM 132 CA MET A 10 3.677 -0.946 5.087 1.00 0.00 C ATOM 133 C MET A 10 4.582 0.254 4.934 1.00 0.00 C ATOM 134 O MET A 10 4.964 0.639 3.841 1.00 0.00 O ATOM 135 CB MET A 10 2.666 -0.964 3.961 1.00 0.00 C ATOM 136 CG MET A 10 1.882 -2.264 3.955 1.00 0.00 C ATOM 137 SD MET A 10 0.916 -2.503 2.446 1.00 0.00 S ATOM 138 CE MET A 10 2.346 -2.279 1.361 1.00 0.00 C ATOM 0 H MET A 10 2.164 -0.344 6.451 1.00 0.00 H new ATOM 0 HA MET A 10 4.341 -1.810 5.064 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.981 -0.123 4.069 1.00 0.00 H new ATOM 0 HB3 MET A 10 3.177 -0.839 3.006 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.573 -3.099 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.212 -2.281 4.815 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.176 -2.806 0.422 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.488 -1.217 1.161 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.237 -2.679 1.846 1.00 0.00 H new ATOM 148 N LYS A 11 4.903 0.839 6.049 1.00 0.00 N ATOM 149 CA LYS A 11 5.812 2.002 5.990 1.00 0.00 C ATOM 150 C LYS A 11 7.073 1.456 5.245 1.00 0.00 C ATOM 151 O LYS A 11 7.474 2.040 4.259 1.00 0.00 O ATOM 152 CB LYS A 11 6.102 2.441 7.422 1.00 0.00 C ATOM 153 CG LYS A 11 7.188 3.506 7.362 1.00 0.00 C ATOM 154 CD LYS A 11 6.644 4.737 8.130 1.00 0.00 C ATOM 155 CE LYS A 11 6.493 4.465 9.664 1.00 0.00 C ATOM 156 NZ LYS A 11 5.798 5.624 10.315 1.00 0.00 N ATOM 0 H LYS A 11 4.582 0.568 6.978 1.00 0.00 H new ATOM 0 HA LYS A 11 5.419 2.877 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.202 2.837 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.429 1.593 8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.111 3.144 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.420 3.765 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.315 5.582 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.676 5.021 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.925 3.549 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.474 4.316 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.390 5.996 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.636 6.372 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.885 5.309 10.701 1.00 0.00 H new ATOM 170 N PRO A 12 7.665 0.359 5.691 1.00 0.00 N ATOM 171 CA PRO A 12 8.730 -0.360 4.920 1.00 0.00 C ATOM 172 C PRO A 12 8.507 -0.473 3.394 1.00 0.00 C ATOM 173 O PRO A 12 9.444 -0.563 2.614 1.00 0.00 O ATOM 174 CB PRO A 12 8.827 -1.733 5.632 1.00 0.00 C ATOM 175 CG PRO A 12 7.543 -1.811 6.506 1.00 0.00 C ATOM 176 CD PRO A 12 7.386 -0.374 6.970 1.00 0.00 C ATOM 0 HA PRO A 12 9.663 0.204 4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.868 -2.551 4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.727 -1.801 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.680 -2.151 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.661 -2.499 7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.387 -0.170 7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.091 -0.114 7.759 1.00 0.00 H new ATOM 184 N CYS A 13 7.265 -0.424 2.982 1.00 0.00 N ATOM 185 CA CYS A 13 7.028 -0.553 1.515 1.00 0.00 C ATOM 186 C CYS A 13 6.968 0.825 0.917 1.00 0.00 C ATOM 187 O CYS A 13 7.637 1.093 -0.066 1.00 0.00 O ATOM 188 CB CYS A 13 5.734 -1.311 1.308 1.00 0.00 C ATOM 189 SG CYS A 13 5.641 -2.929 2.099 1.00 0.00 S ATOM 0 H CYS A 13 6.439 -0.306 3.569 1.00 0.00 H new ATOM 0 HA CYS A 13 7.832 -1.102 1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.912 -0.698 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.578 -1.441 0.237 1.00 0.00 H new ATOM 194 N LEU A 14 6.191 1.712 1.489 1.00 0.00 N ATOM 195 CA LEU A 14 6.207 3.049 0.831 1.00 0.00 C ATOM 196 C LEU A 14 7.699 3.481 0.912 1.00 0.00 C ATOM 197 O LEU A 14 8.271 3.853 -0.091 1.00 0.00 O ATOM 198 CB LEU A 14 5.371 4.088 1.555 1.00 0.00 C ATOM 199 CG LEU A 14 5.433 5.338 0.633 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.633 5.100 -0.673 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.798 6.498 1.328 1.00 0.00 C ATOM 0 H LEU A 14 5.597 1.588 2.309 1.00 0.00 H new ATOM 0 HA LEU A 14 5.795 2.981 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.345 3.747 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.773 4.303 2.545 1.00 0.00 H new ATOM 0 HG LEU A 14 6.481 5.532 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.691 5.988 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.054 4.249 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.591 4.896 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.840 7.376 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.758 6.263 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.332 6.703 2.256 1.00 0.00 H new ATOM 213 N THR A 15 8.289 3.423 2.100 1.00 0.00 N ATOM 214 CA THR A 15 9.763 3.812 2.253 1.00 0.00 C ATOM 215 C THR A 15 10.438 3.163 1.055 1.00 0.00 C ATOM 216 O THR A 15 10.974 3.890 0.257 1.00 0.00 O ATOM 217 CB THR A 15 10.490 3.232 3.516 1.00 0.00 C ATOM 218 OG1 THR A 15 10.087 1.886 3.498 1.00 0.00 O ATOM 219 CG2 THR A 15 9.953 3.770 4.832 1.00 0.00 C ATOM 0 H THR A 15 7.829 3.129 2.962 1.00 0.00 H new ATOM 0 HA THR A 15 9.819 4.897 2.338 1.00 0.00 H new ATOM 0 HB THR A 15 11.555 3.458 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.145 1.823 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.504 3.324 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.073 4.853 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.896 3.520 4.923 1.00 0.00 H new ATOM 227 N TYR A 16 10.407 1.853 0.936 1.00 0.00 N ATOM 228 CA TYR A 16 11.047 1.175 -0.245 1.00 0.00 C ATOM 229 C TYR A 16 10.876 2.006 -1.542 1.00 0.00 C ATOM 230 O TYR A 16 11.857 2.475 -2.091 1.00 0.00 O ATOM 231 CB TYR A 16 10.401 -0.231 -0.360 1.00 0.00 C ATOM 232 CG TYR A 16 10.906 -1.120 -1.514 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.239 -1.437 -1.683 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.994 -1.647 -2.407 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.639 -2.265 -2.723 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.405 -2.470 -3.437 1.00 0.00 C ATOM 237 CZ TYR A 16 11.721 -2.786 -3.605 1.00 0.00 C ATOM 238 OH TYR A 16 12.088 -3.616 -4.651 1.00 0.00 O ATOM 0 H TYR A 16 9.966 1.223 1.606 1.00 0.00 H new ATOM 0 HA TYR A 16 12.124 1.084 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.565 -0.761 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.324 -0.105 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.976 -1.038 -1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.945 -1.412 -2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.686 -2.503 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.672 -2.870 -4.121 1.00 0.00 H new ATOM 0 HH TYR A 16 13.056 -3.559 -4.790 1.00 0.00 H new ATOM 248 N VAL A 17 9.662 2.210 -1.996 1.00 0.00 N ATOM 249 CA VAL A 17 9.474 3.004 -3.271 1.00 0.00 C ATOM 250 C VAL A 17 10.091 4.380 -3.209 1.00 0.00 C ATOM 251 O VAL A 17 10.642 4.809 -4.199 1.00 0.00 O ATOM 252 CB VAL A 17 7.960 3.156 -3.651 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.255 1.857 -3.379 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.191 4.292 -2.994 1.00 0.00 C ATOM 0 H VAL A 17 8.805 1.873 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 17 9.991 2.426 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 17 7.972 3.421 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.201 1.953 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.706 1.066 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.345 1.608 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.159 4.283 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.209 4.165 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.654 5.244 -3.255 1.00 0.00 H new ATOM 264 N GLN A 18 10.007 5.054 -2.100 1.00 0.00 N ATOM 265 CA GLN A 18 10.626 6.421 -2.030 1.00 0.00 C ATOM 266 C GLN A 18 12.061 6.338 -1.452 1.00 0.00 C ATOM 267 O GLN A 18 12.674 7.338 -1.128 1.00 0.00 O ATOM 268 CB GLN A 18 9.724 7.315 -1.150 1.00 0.00 C ATOM 269 CG GLN A 18 9.481 6.656 0.235 1.00 0.00 C ATOM 270 CD GLN A 18 8.851 7.624 1.237 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.283 8.736 1.443 1.00 0.00 O ATOM 272 NE2 GLN A 18 7.814 7.259 1.907 1.00 0.00 N ATOM 0 H GLN A 18 9.547 4.733 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 18 10.704 6.850 -3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.190 8.291 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.770 7.483 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.831 5.789 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.428 6.291 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.416 6.330 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.390 7.898 2.579 1.00 0.00 H new ATOM 281 N GLY A 19 12.531 5.125 -1.348 1.00 0.00 N ATOM 282 CA GLY A 19 13.899 4.827 -0.821 1.00 0.00 C ATOM 283 C GLY A 19 13.859 4.139 0.543 1.00 0.00 C ATOM 284 O GLY A 19 14.132 4.732 1.568 1.00 0.00 O ATOM 0 H GLY A 19 12.003 4.295 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.429 4.191 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.465 5.755 -0.741 1.00 0.00 H new ATOM 288 N GLY A 20 13.508 2.887 0.502 1.00 0.00 N ATOM 289 CA GLY A 20 13.420 2.055 1.759 1.00 0.00 C ATOM 290 C GLY A 20 14.211 0.766 1.607 1.00 0.00 C ATOM 291 O GLY A 20 14.681 0.435 0.536 1.00 0.00 O ATOM 0 H GLY A 20 13.273 2.387 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.803 2.625 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.377 1.824 1.976 1.00 0.00 H new ATOM 295 N PRO A 21 14.331 0.055 2.688 1.00 0.00 N ATOM 296 CA PRO A 21 15.649 -0.394 3.173 1.00 0.00 C ATOM 297 C PRO A 21 15.986 -1.803 2.620 1.00 0.00 C ATOM 298 O PRO A 21 16.393 -2.692 3.339 1.00 0.00 O ATOM 299 CB PRO A 21 15.384 -0.229 4.669 1.00 0.00 C ATOM 300 CG PRO A 21 13.985 -0.889 4.828 1.00 0.00 C ATOM 301 CD PRO A 21 13.207 -0.377 3.583 1.00 0.00 C ATOM 0 HA PRO A 21 16.551 0.133 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.141 -0.728 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.376 0.819 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.052 -1.977 4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.501 -0.588 5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.598 -1.159 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.537 0.447 3.828 1.00 0.00 H new ATOM 309 N GLY A 22 15.815 -1.951 1.327 1.00 0.00 N ATOM 310 CA GLY A 22 16.086 -3.254 0.608 1.00 0.00 C ATOM 311 C GLY A 22 14.943 -3.729 -0.324 1.00 0.00 C ATOM 312 O GLY A 22 15.111 -3.751 -1.529 1.00 0.00 O ATOM 0 H GLY A 22 15.489 -1.203 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.996 -3.145 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.278 -4.029 1.350 1.00 0.00 H new ATOM 316 N PRO A 23 13.806 -4.099 0.222 1.00 0.00 N ATOM 317 CA PRO A 23 13.369 -3.822 1.608 1.00 0.00 C ATOM 318 C PRO A 23 13.690 -5.004 2.537 1.00 0.00 C ATOM 319 O PRO A 23 14.462 -5.884 2.197 1.00 0.00 O ATOM 320 CB PRO A 23 11.890 -3.522 1.387 1.00 0.00 C ATOM 321 CG PRO A 23 11.482 -4.610 0.358 1.00 0.00 C ATOM 322 CD PRO A 23 12.758 -4.861 -0.509 1.00 0.00 C ATOM 0 HA PRO A 23 13.871 -3.003 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.317 -3.601 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.733 -2.516 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.161 -5.524 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.648 -4.275 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.000 -5.922 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.632 -4.499 -1.529 1.00 0.00 H new ATOM 330 N SER A 24 13.043 -4.920 3.666 1.00 0.00 N ATOM 331 CA SER A 24 13.140 -5.916 4.783 1.00 0.00 C ATOM 332 C SER A 24 11.861 -6.765 4.782 1.00 0.00 C ATOM 333 O SER A 24 10.807 -6.212 4.553 1.00 0.00 O ATOM 334 CB SER A 24 13.234 -5.168 6.130 1.00 0.00 C ATOM 335 OG SER A 24 14.459 -4.448 6.044 1.00 0.00 O ATOM 0 H SER A 24 12.408 -4.150 3.875 1.00 0.00 H new ATOM 0 HA SER A 24 14.021 -6.543 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.387 -4.497 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.237 -5.861 6.971 1.00 0.00 H new ATOM 0 HG SER A 24 14.597 -3.937 6.869 1.00 0.00 H new ATOM 341 N GLY A 25 11.966 -8.054 5.024 1.00 0.00 N ATOM 342 CA GLY A 25 10.772 -9.001 5.061 1.00 0.00 C ATOM 343 C GLY A 25 9.412 -8.363 5.414 1.00 0.00 C ATOM 344 O GLY A 25 8.416 -8.594 4.744 1.00 0.00 O ATOM 0 H GLY A 25 12.858 -8.515 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.684 -9.480 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.980 -9.788 5.786 1.00 0.00 H new ATOM 348 N GLU A 26 9.467 -7.591 6.485 1.00 0.00 N ATOM 349 CA GLU A 26 8.265 -6.862 7.011 1.00 0.00 C ATOM 350 C GLU A 26 7.430 -6.275 5.870 1.00 0.00 C ATOM 351 O GLU A 26 6.216 -6.327 5.946 1.00 0.00 O ATOM 352 CB GLU A 26 8.743 -5.753 8.023 1.00 0.00 C ATOM 353 CG GLU A 26 9.655 -4.647 7.426 1.00 0.00 C ATOM 354 CD GLU A 26 10.327 -3.832 8.554 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.630 -3.074 9.214 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.523 -4.030 8.677 1.00 0.00 O ATOM 0 H GLU A 26 10.318 -7.436 7.026 1.00 0.00 H new ATOM 0 HA GLU A 26 7.616 -7.561 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.863 -5.278 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.278 -6.238 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.418 -5.099 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.066 -3.984 6.792 1.00 0.00 H new ATOM 363 N CYS A 27 8.068 -5.754 4.843 1.00 0.00 N ATOM 364 CA CYS A 27 7.251 -5.189 3.729 1.00 0.00 C ATOM 365 C CYS A 27 6.504 -6.354 3.084 1.00 0.00 C ATOM 366 O CYS A 27 5.309 -6.397 3.232 1.00 0.00 O ATOM 367 CB CYS A 27 8.106 -4.535 2.654 1.00 0.00 C ATOM 368 SG CYS A 27 7.094 -4.039 1.235 1.00 0.00 S ATOM 0 H CYS A 27 9.081 -5.698 4.733 1.00 0.00 H new ATOM 0 HA CYS A 27 6.587 -4.427 4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.612 -3.663 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.881 -5.229 2.328 1.00 0.00 H new ATOM 373 N CYS A 28 7.164 -7.262 2.409 1.00 0.00 N ATOM 374 CA CYS A 28 6.405 -8.395 1.794 1.00 0.00 C ATOM 375 C CYS A 28 5.279 -8.995 2.658 1.00 0.00 C ATOM 376 O CYS A 28 4.180 -9.170 2.162 1.00 0.00 O ATOM 377 CB CYS A 28 7.440 -9.457 1.394 1.00 0.00 C ATOM 378 SG CYS A 28 8.359 -9.072 -0.115 1.00 0.00 S ATOM 0 H CYS A 28 8.173 -7.270 2.259 1.00 0.00 H new ATOM 0 HA CYS A 28 5.861 -8.004 0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.147 -9.584 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.931 -10.412 1.261 1.00 0.00 H new ATOM 383 N ASN A 29 5.532 -9.286 3.917 1.00 0.00 N ATOM 384 CA ASN A 29 4.396 -9.870 4.721 1.00 0.00 C ATOM 385 C ASN A 29 3.360 -8.791 4.980 1.00 0.00 C ATOM 386 O ASN A 29 2.185 -9.056 4.823 1.00 0.00 O ATOM 387 CB ASN A 29 4.862 -10.445 6.103 1.00 0.00 C ATOM 388 CG ASN A 29 5.693 -9.489 6.922 1.00 0.00 C ATOM 389 OD1 ASN A 29 6.881 -9.413 6.731 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.178 -8.737 7.842 1.00 0.00 N ATOM 0 H ASN A 29 6.419 -9.156 4.403 1.00 0.00 H new ATOM 0 HA ASN A 29 3.983 -10.692 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.983 -10.731 6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.439 -11.354 5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.774 -8.106 8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.176 -8.775 8.030 1.00 0.00 H new ATOM 397 N GLY A 30 3.803 -7.617 5.365 1.00 0.00 N ATOM 398 CA GLY A 30 2.852 -6.491 5.634 1.00 0.00 C ATOM 399 C GLY A 30 1.960 -6.423 4.408 1.00 0.00 C ATOM 400 O GLY A 30 0.764 -6.523 4.513 1.00 0.00 O ATOM 0 H GLY A 30 4.787 -7.390 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.268 -6.675 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.385 -5.553 5.786 1.00 0.00 H new ATOM 404 N VAL A 31 2.618 -6.265 3.299 1.00 0.00 N ATOM 405 CA VAL A 31 2.032 -6.178 1.922 1.00 0.00 C ATOM 406 C VAL A 31 0.964 -7.258 1.760 1.00 0.00 C ATOM 407 O VAL A 31 -0.188 -6.962 1.549 1.00 0.00 O ATOM 408 CB VAL A 31 3.240 -6.360 0.953 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.875 -6.965 -0.375 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.859 -5.036 0.620 1.00 0.00 C ATOM 0 H VAL A 31 3.635 -6.185 3.290 1.00 0.00 H new ATOM 0 HA VAL A 31 1.531 -5.232 1.717 1.00 0.00 H new ATOM 0 HB VAL A 31 3.914 -7.026 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.770 -7.058 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.438 -7.951 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.152 -6.325 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.700 -5.187 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.117 -4.398 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.211 -4.559 1.534 1.00 0.00 H new ATOM 420 N ARG A 32 1.397 -8.490 1.855 1.00 0.00 N ATOM 421 CA ARG A 32 0.521 -9.697 1.734 1.00 0.00 C ATOM 422 C ARG A 32 -0.725 -9.552 2.672 1.00 0.00 C ATOM 423 O ARG A 32 -1.864 -9.615 2.244 1.00 0.00 O ATOM 424 CB ARG A 32 1.503 -10.873 2.067 1.00 0.00 C ATOM 425 CG ARG A 32 1.480 -12.062 1.031 1.00 0.00 C ATOM 426 CD ARG A 32 0.178 -12.869 1.127 1.00 0.00 C ATOM 427 NE ARG A 32 0.233 -13.650 2.415 1.00 0.00 N ATOM 428 CZ ARG A 32 0.027 -13.039 3.515 1.00 0.00 C ATOM 429 NH1 ARG A 32 -1.023 -12.325 3.667 1.00 0.00 N ATOM 430 NH2 ARG A 32 0.898 -13.154 4.443 1.00 0.00 N ATOM 0 H ARG A 32 2.377 -8.719 2.021 1.00 0.00 H new ATOM 0 HA ARG A 32 0.065 -9.860 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.517 -10.477 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.258 -11.264 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.591 -11.668 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.331 -12.719 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.687 -12.206 1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.077 -13.540 0.274 1.00 0.00 H new ATOM 0 HE ARG A 32 0.432 -14.650 2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.698 -12.243 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.185 -11.837 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.731 -13.723 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.760 -12.677 5.334 1.00 0.00 H new ATOM 444 N ASP A 33 -0.505 -9.355 3.949 1.00 0.00 N ATOM 445 CA ASP A 33 -1.668 -9.202 4.894 1.00 0.00 C ATOM 446 C ASP A 33 -2.519 -8.010 4.419 1.00 0.00 C ATOM 447 O ASP A 33 -3.680 -8.161 4.094 1.00 0.00 O ATOM 448 CB ASP A 33 -1.079 -8.996 6.324 1.00 0.00 C ATOM 449 CG ASP A 33 -0.368 -10.245 6.838 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.163 -11.161 6.051 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.069 -10.200 8.015 1.00 0.00 O ATOM 0 H ASP A 33 0.418 -9.293 4.380 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.317 -10.077 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.379 -8.161 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.882 -8.728 7.011 1.00 0.00 H new ATOM 456 N LEU A 34 -1.910 -6.857 4.388 1.00 0.00 N ATOM 457 CA LEU A 34 -2.547 -5.581 3.947 1.00 0.00 C ATOM 458 C LEU A 34 -3.459 -5.983 2.772 1.00 0.00 C ATOM 459 O LEU A 34 -4.652 -5.759 2.783 1.00 0.00 O ATOM 460 CB LEU A 34 -1.343 -4.698 3.608 1.00 0.00 C ATOM 461 CG LEU A 34 -0.692 -3.990 4.847 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.280 -2.594 5.041 1.00 0.00 C ATOM 463 CD2 LEU A 34 -0.864 -4.690 6.196 1.00 0.00 C ATOM 0 H LEU A 34 -0.936 -6.743 4.668 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.178 -5.033 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.587 -5.309 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.655 -3.937 2.892 1.00 0.00 H new ATOM 0 HG LEU A 34 0.368 -3.996 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.815 -2.120 5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.090 -1.993 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.355 -2.671 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.372 -4.106 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.926 -4.780 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.417 -5.683 6.150 1.00 0.00 H new ATOM 475 N HIS A 35 -2.870 -6.587 1.777 1.00 0.00 N ATOM 476 CA HIS A 35 -3.639 -7.037 0.597 1.00 0.00 C ATOM 477 C HIS A 35 -4.811 -7.939 1.028 1.00 0.00 C ATOM 478 O HIS A 35 -5.907 -7.714 0.577 1.00 0.00 O ATOM 479 CB HIS A 35 -2.714 -7.808 -0.331 1.00 0.00 C ATOM 480 CG HIS A 35 -3.476 -8.078 -1.624 1.00 0.00 C ATOM 481 ND1 HIS A 35 -3.176 -8.953 -2.517 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.611 -7.481 -2.120 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.042 -8.908 -3.477 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.953 -8.004 -3.272 1.00 0.00 N ATOM 0 H HIS A 35 -1.871 -6.788 1.737 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.045 -6.167 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.809 -7.234 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.401 -8.744 0.132 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.377 -9.586 -2.475 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.150 -6.686 -1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.012 -9.547 -4.347 1.00 0.00 H new ATOM 492 N ASN A 36 -4.629 -8.917 1.876 1.00 0.00 N ATOM 493 CA ASN A 36 -5.817 -9.758 2.247 1.00 0.00 C ATOM 494 C ASN A 36 -6.723 -9.003 3.234 1.00 0.00 C ATOM 495 O ASN A 36 -7.781 -9.488 3.581 1.00 0.00 O ATOM 496 CB ASN A 36 -5.323 -11.073 2.869 1.00 0.00 C ATOM 497 CG ASN A 36 -4.560 -11.890 1.838 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.363 -12.064 1.925 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.166 -12.430 0.831 1.00 0.00 N ATOM 0 H ASN A 36 -3.744 -9.168 2.317 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.402 -9.976 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.680 -10.860 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.170 -11.647 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.637 -12.976 0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.173 -12.310 0.717 1.00 0.00 H new ATOM 506 N GLN A 37 -6.287 -7.840 3.656 1.00 0.00 N ATOM 507 CA GLN A 37 -7.096 -7.019 4.608 1.00 0.00 C ATOM 508 C GLN A 37 -8.019 -6.144 3.718 1.00 0.00 C ATOM 509 O GLN A 37 -9.194 -5.975 3.968 1.00 0.00 O ATOM 510 CB GLN A 37 -6.180 -6.084 5.466 1.00 0.00 C ATOM 511 CG GLN A 37 -5.118 -6.866 6.293 1.00 0.00 C ATOM 512 CD GLN A 37 -5.601 -7.329 7.650 1.00 0.00 C ATOM 513 OE1 GLN A 37 -6.183 -6.621 8.442 1.00 0.00 O ATOM 514 NE2 GLN A 37 -5.357 -8.557 7.950 1.00 0.00 N ATOM 0 H GLN A 37 -5.399 -7.423 3.379 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.650 -7.656 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.673 -5.378 4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.801 -5.498 6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.796 -7.735 5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.242 -6.232 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.867 -9.157 7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.654 -8.930 8.852 1.00 0.00 H new ATOM 523 N ALA A 38 -7.401 -5.632 2.679 1.00 0.00 N ATOM 524 CA ALA A 38 -8.059 -4.746 1.658 1.00 0.00 C ATOM 525 C ALA A 38 -8.753 -5.427 0.472 1.00 0.00 C ATOM 526 O ALA A 38 -9.742 -4.907 -0.013 1.00 0.00 O ATOM 527 CB ALA A 38 -6.979 -3.757 1.121 1.00 0.00 C ATOM 0 H ALA A 38 -6.414 -5.802 2.487 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.879 -4.263 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.427 -3.099 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.590 -3.160 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.165 -4.320 0.665 1.00 0.00 H new ATOM 533 N GLN A 39 -8.303 -6.554 -0.010 1.00 0.00 N ATOM 534 CA GLN A 39 -9.035 -7.140 -1.175 1.00 0.00 C ATOM 535 C GLN A 39 -10.336 -7.904 -0.851 1.00 0.00 C ATOM 536 O GLN A 39 -10.724 -8.809 -1.563 1.00 0.00 O ATOM 537 CB GLN A 39 -7.993 -8.030 -1.925 1.00 0.00 C ATOM 538 CG GLN A 39 -7.837 -7.445 -3.368 1.00 0.00 C ATOM 539 CD GLN A 39 -7.343 -5.986 -3.371 1.00 0.00 C ATOM 540 OE1 GLN A 39 -7.349 -5.309 -4.372 1.00 0.00 O ATOM 541 NE2 GLN A 39 -6.910 -5.395 -2.302 1.00 0.00 N ATOM 0 H GLN A 39 -7.497 -7.077 0.332 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.415 -6.325 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.036 -8.025 -1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.330 -9.066 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.137 -8.062 -3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.796 -7.500 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.875 -5.902 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.604 -4.423 -2.345 1.00 0.00 H new ATOM 550 N SER A 40 -10.979 -7.491 0.206 1.00 0.00 N ATOM 551 CA SER A 40 -12.270 -8.139 0.630 1.00 0.00 C ATOM 552 C SER A 40 -13.373 -7.068 0.569 1.00 0.00 C ATOM 553 O SER A 40 -14.512 -7.341 0.895 1.00 0.00 O ATOM 554 CB SER A 40 -12.143 -8.679 2.074 1.00 0.00 C ATOM 555 OG SER A 40 -13.372 -9.363 2.321 1.00 0.00 O ATOM 0 H SER A 40 -10.669 -6.726 0.805 1.00 0.00 H new ATOM 0 HA SER A 40 -12.509 -8.974 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.291 -9.351 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.992 -7.868 2.787 1.00 0.00 H new ATOM 0 HG SER A 40 -14.114 -8.852 1.935 1.00 0.00 H new ATOM 561 N SER A 41 -12.962 -5.885 0.149 1.00 0.00 N ATOM 562 CA SER A 41 -13.838 -4.669 0.002 1.00 0.00 C ATOM 563 C SER A 41 -13.346 -3.718 -1.158 1.00 0.00 C ATOM 564 O SER A 41 -12.836 -4.145 -2.189 1.00 0.00 O ATOM 565 CB SER A 41 -13.817 -3.976 1.384 1.00 0.00 C ATOM 566 OG SER A 41 -14.736 -2.890 1.292 1.00 0.00 O ATOM 0 H SER A 41 -11.992 -5.708 -0.113 1.00 0.00 H new ATOM 0 HA SER A 41 -14.854 -4.941 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.110 -4.669 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.816 -3.621 1.627 1.00 0.00 H new ATOM 0 HG SER A 41 -14.348 -2.097 1.717 1.00 0.00 H new ATOM 572 N GLY A 42 -13.527 -2.434 -0.954 1.00 0.00 N ATOM 573 CA GLY A 42 -13.112 -1.375 -1.951 1.00 0.00 C ATOM 574 C GLY A 42 -11.765 -0.775 -1.536 1.00 0.00 C ATOM 575 O GLY A 42 -11.048 -0.215 -2.335 1.00 0.00 O ATOM 0 H GLY A 42 -13.960 -2.057 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.036 -1.810 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.869 -0.593 -2.002 1.00 0.00 H new ATOM 579 N ASP A 43 -11.483 -0.963 -0.278 1.00 0.00 N ATOM 580 CA ASP A 43 -10.248 -0.495 0.430 1.00 0.00 C ATOM 581 C ASP A 43 -9.054 0.068 -0.359 1.00 0.00 C ATOM 582 O ASP A 43 -8.421 1.049 0.038 1.00 0.00 O ATOM 583 CB ASP A 43 -9.776 -1.685 1.252 1.00 0.00 C ATOM 584 CG ASP A 43 -9.660 -1.423 2.729 1.00 0.00 C ATOM 585 OD1 ASP A 43 -9.399 -0.273 3.029 1.00 0.00 O ATOM 586 OD2 ASP A 43 -9.807 -2.377 3.451 1.00 0.00 O ATOM 0 H ASP A 43 -12.116 -1.467 0.342 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.568 0.394 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.467 -2.513 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.804 -2.006 0.876 1.00 0.00 H new ATOM 591 N ARG A 44 -8.747 -0.582 -1.449 1.00 0.00 N ATOM 592 CA ARG A 44 -7.643 -0.155 -2.289 1.00 0.00 C ATOM 593 C ARG A 44 -7.846 1.372 -2.477 1.00 0.00 C ATOM 594 O ARG A 44 -6.969 2.177 -2.247 1.00 0.00 O ATOM 595 CB ARG A 44 -7.737 -0.832 -3.634 1.00 0.00 C ATOM 596 CG ARG A 44 -8.044 -2.328 -3.670 1.00 0.00 C ATOM 597 CD ARG A 44 -9.557 -2.607 -3.889 1.00 0.00 C ATOM 598 NE ARG A 44 -9.550 -4.030 -4.334 1.00 0.00 N ATOM 599 CZ ARG A 44 -10.171 -4.492 -5.342 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.425 -4.684 -5.242 1.00 0.00 N ATOM 601 NH2 ARG A 44 -9.476 -4.731 -6.372 1.00 0.00 N ATOM 0 H ARG A 44 -9.241 -1.410 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.676 -0.399 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.507 -0.320 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.792 -0.674 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.470 -2.797 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.722 -2.787 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.134 -2.469 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.989 -1.947 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.000 -4.689 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.906 -4.468 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.949 -5.054 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.472 -4.552 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.920 -5.103 -7.212 1.00 0.00 H new ATOM 615 N GLN A 45 -9.068 1.668 -2.873 1.00 0.00 N ATOM 616 CA GLN A 45 -9.569 3.047 -3.150 1.00 0.00 C ATOM 617 C GLN A 45 -9.214 4.115 -2.074 1.00 0.00 C ATOM 618 O GLN A 45 -9.281 5.301 -2.331 1.00 0.00 O ATOM 619 CB GLN A 45 -11.108 2.943 -3.356 1.00 0.00 C ATOM 620 CG GLN A 45 -11.430 1.901 -4.498 1.00 0.00 C ATOM 621 CD GLN A 45 -12.760 2.163 -5.198 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.825 2.235 -4.620 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.722 2.308 -6.482 1.00 0.00 N ATOM 0 H GLN A 45 -9.779 0.952 -3.022 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.059 3.412 -4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.588 2.636 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.515 3.920 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.628 1.923 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.443 0.898 -4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.831 2.249 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.583 2.481 -7.001 1.00 0.00 H new ATOM 632 N THR A 46 -8.869 3.673 -0.893 1.00 0.00 N ATOM 633 CA THR A 46 -8.486 4.620 0.212 1.00 0.00 C ATOM 634 C THR A 46 -6.962 4.605 0.193 1.00 0.00 C ATOM 635 O THR A 46 -6.319 5.633 0.051 1.00 0.00 O ATOM 636 CB THR A 46 -8.985 4.134 1.599 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.373 4.422 1.624 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.473 5.070 2.691 1.00 0.00 C ATOM 0 H THR A 46 -8.834 2.686 -0.638 1.00 0.00 H new ATOM 0 HA THR A 46 -8.925 5.606 0.060 1.00 0.00 H new ATOM 0 HB THR A 46 -8.689 3.095 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.751 4.135 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.827 4.724 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.383 5.077 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.843 6.079 2.509 1.00 0.00 H new ATOM 646 N VAL A 47 -6.403 3.423 0.318 1.00 0.00 N ATOM 647 CA VAL A 47 -4.894 3.305 0.307 1.00 0.00 C ATOM 648 C VAL A 47 -4.307 4.199 -0.788 1.00 0.00 C ATOM 649 O VAL A 47 -3.337 4.914 -0.628 1.00 0.00 O ATOM 650 CB VAL A 47 -4.553 1.818 0.087 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.703 1.532 -1.177 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.752 1.437 1.276 1.00 0.00 C ATOM 0 H VAL A 47 -6.910 2.544 0.426 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.460 3.640 1.249 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.479 1.259 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.511 0.462 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.244 1.867 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.756 2.066 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.466 0.388 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.856 2.055 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.345 1.587 2.178 1.00 0.00 H new ATOM 662 N CYS A 48 -4.991 4.061 -1.886 1.00 0.00 N ATOM 663 CA CYS A 48 -4.736 4.778 -3.168 1.00 0.00 C ATOM 664 C CYS A 48 -4.530 6.282 -2.936 1.00 0.00 C ATOM 665 O CYS A 48 -3.662 6.916 -3.498 1.00 0.00 O ATOM 666 CB CYS A 48 -5.929 4.523 -4.030 1.00 0.00 C ATOM 667 SG CYS A 48 -6.204 5.769 -5.299 1.00 0.00 S ATOM 0 H CYS A 48 -5.785 3.424 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.822 4.420 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.815 3.551 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.814 4.464 -3.397 1.00 0.00 H new ATOM 672 N ASN A 49 -5.383 6.802 -2.095 1.00 0.00 N ATOM 673 CA ASN A 49 -5.341 8.250 -1.726 1.00 0.00 C ATOM 674 C ASN A 49 -4.158 8.506 -0.796 1.00 0.00 C ATOM 675 O ASN A 49 -3.541 9.556 -0.854 1.00 0.00 O ATOM 676 CB ASN A 49 -6.650 8.646 -1.022 1.00 0.00 C ATOM 677 CG ASN A 49 -7.677 8.761 -2.115 1.00 0.00 C ATOM 678 OD1 ASN A 49 -7.536 9.521 -3.046 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.746 8.047 -2.113 1.00 0.00 N ATOM 0 H ASN A 49 -6.125 6.273 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.226 8.849 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.942 7.896 -0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.538 9.590 -0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.422 8.139 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.918 7.389 -1.353 1.00 0.00 H new ATOM 686 N CYS A 50 -3.868 7.538 0.044 1.00 0.00 N ATOM 687 CA CYS A 50 -2.701 7.751 0.978 1.00 0.00 C ATOM 688 C CYS A 50 -1.566 7.922 -0.057 1.00 0.00 C ATOM 689 O CYS A 50 -0.840 8.903 -0.063 1.00 0.00 O ATOM 690 CB CYS A 50 -2.507 6.489 1.901 1.00 0.00 C ATOM 691 SG CYS A 50 -3.946 5.797 2.758 1.00 0.00 S ATOM 0 H CYS A 50 -4.359 6.648 0.128 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.785 8.581 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.076 5.697 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.766 6.746 2.658 1.00 0.00 H new ATOM 696 N LEU A 51 -1.456 6.940 -0.934 1.00 0.00 N ATOM 697 CA LEU A 51 -0.397 7.014 -2.008 1.00 0.00 C ATOM 698 C LEU A 51 -0.525 8.439 -2.583 1.00 0.00 C ATOM 699 O LEU A 51 0.352 9.233 -2.363 1.00 0.00 O ATOM 700 CB LEU A 51 -0.632 5.986 -3.180 1.00 0.00 C ATOM 701 CG LEU A 51 -0.829 4.542 -2.683 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.737 3.568 -3.839 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.218 4.164 -1.690 1.00 0.00 C ATOM 0 H LEU A 51 -2.042 6.105 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 51 0.580 6.781 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.508 6.290 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.219 6.017 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.814 4.496 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.878 2.552 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.510 3.799 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.244 3.651 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.052 3.139 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.202 4.241 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.166 4.836 -0.833 1.00 0.00 H new ATOM 715 N LYS A 52 -1.575 8.761 -3.284 1.00 0.00 N ATOM 716 CA LYS A 52 -1.723 10.156 -3.847 1.00 0.00 C ATOM 717 C LYS A 52 -1.152 11.325 -3.017 1.00 0.00 C ATOM 718 O LYS A 52 -0.421 12.153 -3.533 1.00 0.00 O ATOM 719 CB LYS A 52 -3.207 10.427 -4.086 1.00 0.00 C ATOM 720 CG LYS A 52 -3.527 10.010 -5.510 1.00 0.00 C ATOM 721 CD LYS A 52 -5.021 10.248 -5.805 1.00 0.00 C ATOM 722 CE LYS A 52 -5.288 9.629 -7.164 1.00 0.00 C ATOM 723 NZ LYS A 52 -5.042 10.563 -8.291 1.00 0.00 N ATOM 0 H LYS A 52 -2.344 8.126 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.117 10.141 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.817 9.868 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.432 11.483 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.914 10.578 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.283 8.957 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.647 9.790 -5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.252 11.313 -5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.656 8.749 -7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.322 9.287 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.864 10.562 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.893 11.523 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.197 10.259 -8.816 1.00 0.00 H new ATOM 737 N GLY A 53 -1.490 11.373 -1.750 1.00 0.00 N ATOM 738 CA GLY A 53 -0.980 12.490 -0.879 1.00 0.00 C ATOM 739 C GLY A 53 0.522 12.463 -0.748 1.00 0.00 C ATOM 740 O GLY A 53 1.151 13.499 -0.847 1.00 0.00 O ATOM 0 H GLY A 53 -2.091 10.696 -1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.290 13.447 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.432 12.414 0.110 1.00 0.00 H new ATOM 744 N ILE A 54 1.073 11.302 -0.532 1.00 0.00 N ATOM 745 CA ILE A 54 2.563 11.254 -0.406 1.00 0.00 C ATOM 746 C ILE A 54 3.145 11.272 -1.817 1.00 0.00 C ATOM 747 O ILE A 54 3.924 12.144 -2.172 1.00 0.00 O ATOM 748 CB ILE A 54 2.893 9.986 0.382 1.00 0.00 C ATOM 749 CG1 ILE A 54 4.403 9.961 0.670 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.464 8.641 -0.230 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.590 9.576 2.115 1.00 0.00 C ATOM 0 H ILE A 54 0.582 10.413 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 54 2.994 12.102 0.127 1.00 0.00 H new ATOM 0 HB ILE A 54 2.287 10.062 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.905 9.247 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.845 10.938 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.761 7.828 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.382 8.628 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.945 8.512 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.654 9.550 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.095 10.308 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.156 8.591 2.288 1.00 0.00 H new ATOM 763 N ALA A 55 2.716 10.300 -2.584 1.00 0.00 N ATOM 764 CA ALA A 55 3.126 10.101 -4.021 1.00 0.00 C ATOM 765 C ALA A 55 3.293 11.502 -4.609 1.00 0.00 C ATOM 766 O ALA A 55 4.198 11.723 -5.385 1.00 0.00 O ATOM 767 CB ALA A 55 2.029 9.284 -4.735 1.00 0.00 C ATOM 0 H ALA A 55 2.059 9.593 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 55 4.058 9.547 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.310 9.131 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.917 8.318 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.084 9.826 -4.690 1.00 0.00 H new ATOM 773 N ARG A 56 2.385 12.361 -4.184 1.00 0.00 N ATOM 774 CA ARG A 56 2.308 13.807 -4.566 1.00 0.00 C ATOM 775 C ARG A 56 3.615 14.313 -5.206 1.00 0.00 C ATOM 776 O ARG A 56 3.615 14.908 -6.259 1.00 0.00 O ATOM 777 CB ARG A 56 1.975 14.559 -3.277 1.00 0.00 C ATOM 778 CG ARG A 56 2.158 16.093 -3.393 1.00 0.00 C ATOM 779 CD ARG A 56 1.275 16.752 -2.303 1.00 0.00 C ATOM 780 NE ARG A 56 -0.145 16.923 -2.806 1.00 0.00 N ATOM 781 CZ ARG A 56 -0.504 16.640 -4.002 1.00 0.00 C ATOM 782 NH1 ARG A 56 -0.851 15.445 -4.250 1.00 0.00 N ATOM 783 NH2 ARG A 56 -0.490 17.580 -4.857 1.00 0.00 N ATOM 0 H ARG A 56 1.643 12.087 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 56 1.546 13.969 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.944 14.344 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.609 14.185 -2.473 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.204 16.366 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.866 16.440 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.277 16.137 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.689 17.722 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.849 17.281 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.838 14.746 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.143 15.184 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.200 18.518 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.769 17.397 -5.821 1.00 0.00 H new ATOM 797 N GLY A 57 4.674 14.035 -4.494 1.00 0.00 N ATOM 798 CA GLY A 57 6.078 14.411 -4.891 1.00 0.00 C ATOM 799 C GLY A 57 6.997 14.050 -3.732 1.00 0.00 C ATOM 800 O GLY A 57 7.908 14.773 -3.402 1.00 0.00 O ATOM 0 H GLY A 57 4.626 13.536 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.375 13.880 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.141 15.477 -5.112 1.00 0.00 H new ATOM 804 N ILE A 58 6.688 12.911 -3.173 1.00 0.00 N ATOM 805 CA ILE A 58 7.413 12.314 -2.007 1.00 0.00 C ATOM 806 C ILE A 58 8.866 12.733 -1.714 1.00 0.00 C ATOM 807 O ILE A 58 9.132 13.764 -1.134 1.00 0.00 O ATOM 808 CB ILE A 58 7.392 10.720 -2.114 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.033 10.171 -2.431 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.853 10.150 -0.730 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.098 8.640 -2.469 1.00 0.00 C ATOM 0 H ILE A 58 5.913 12.334 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 58 6.846 12.729 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 58 8.052 10.425 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.313 10.497 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.688 10.555 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.851 9.061 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.860 10.504 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.170 10.489 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.111 8.240 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.805 8.325 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.424 8.265 -1.499 1.00 0.00 H new ATOM 823 N HIS A 59 9.747 11.869 -2.146 1.00 0.00 N ATOM 824 CA HIS A 59 11.214 11.985 -1.993 1.00 0.00 C ATOM 825 C HIS A 59 11.893 11.532 -3.305 1.00 0.00 C ATOM 826 O HIS A 59 12.171 12.321 -4.184 1.00 0.00 O ATOM 827 CB HIS A 59 11.459 11.099 -0.752 1.00 0.00 C ATOM 828 CG HIS A 59 10.991 11.820 0.517 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.305 11.283 1.469 1.00 0.00 N ATOM 830 CD2 HIS A 59 11.176 13.125 0.931 1.00 0.00 C ATOM 831 CE1 HIS A 59 10.076 12.162 2.396 1.00 0.00 C ATOM 832 NE2 HIS A 59 10.601 13.323 2.100 1.00 0.00 N ATOM 0 H HIS A 59 9.472 11.020 -2.639 1.00 0.00 H new ATOM 0 HA HIS A 59 11.629 12.981 -1.836 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.925 10.155 -0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.519 10.859 -0.672 1.00 0.00 H new ATOM 0 HD1 HIS A 59 9.990 10.313 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.716 13.877 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.521 11.960 3.300 1.00 0.00 H new ATOM 840 N ASN A 60 12.133 10.248 -3.385 1.00 0.00 N ATOM 841 CA ASN A 60 12.779 9.669 -4.596 1.00 0.00 C ATOM 842 C ASN A 60 11.934 8.460 -5.075 1.00 0.00 C ATOM 843 O ASN A 60 12.405 7.340 -5.118 1.00 0.00 O ATOM 844 CB ASN A 60 14.212 9.295 -4.163 1.00 0.00 C ATOM 845 CG ASN A 60 15.061 9.077 -5.398 1.00 0.00 C ATOM 846 OD1 ASN A 60 16.005 9.782 -5.663 1.00 0.00 O ATOM 847 ND2 ASN A 60 14.776 8.112 -6.203 1.00 0.00 N ATOM 0 H ASN A 60 11.906 9.572 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 60 12.833 10.353 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.638 10.088 -3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.197 8.392 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.342 7.960 -7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.984 7.500 -6.005 1.00 0.00 H new ATOM 854 N LEU A 61 10.700 8.735 -5.417 1.00 0.00 N ATOM 855 CA LEU A 61 9.782 7.644 -5.895 1.00 0.00 C ATOM 856 C LEU A 61 10.450 6.790 -7.005 1.00 0.00 C ATOM 857 O LEU A 61 10.765 7.277 -8.071 1.00 0.00 O ATOM 858 CB LEU A 61 8.480 8.281 -6.429 1.00 0.00 C ATOM 859 CG LEU A 61 7.459 7.194 -6.875 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.179 6.185 -5.740 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.128 7.884 -7.227 1.00 0.00 C ATOM 0 H LEU A 61 10.285 9.666 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 61 9.559 6.982 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.034 8.906 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.711 8.933 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 61 7.879 6.663 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.462 5.440 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.108 5.691 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.769 6.711 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.402 7.135 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.749 8.412 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.290 8.595 -8.037 1.00 0.00 H new ATOM 873 N ASN A 62 10.643 5.539 -6.735 1.00 0.00 N ATOM 874 CA ASN A 62 11.277 4.615 -7.700 1.00 0.00 C ATOM 875 C ASN A 62 10.267 3.956 -8.631 1.00 0.00 C ATOM 876 O ASN A 62 10.589 3.667 -9.760 1.00 0.00 O ATOM 877 CB ASN A 62 12.027 3.616 -6.830 1.00 0.00 C ATOM 878 CG ASN A 62 12.881 2.705 -7.678 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.403 1.839 -8.378 1.00 0.00 O ATOM 880 ND2 ASN A 62 14.165 2.857 -7.658 1.00 0.00 N ATOM 0 H ASN A 62 10.377 5.103 -5.852 1.00 0.00 H new ATOM 0 HA ASN A 62 11.947 5.134 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.654 4.148 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.317 3.024 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.759 2.253 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.584 3.581 -7.074 1.00 0.00 H new ATOM 887 N LEU A 63 9.078 3.743 -8.136 1.00 0.00 N ATOM 888 CA LEU A 63 7.978 3.090 -8.940 1.00 0.00 C ATOM 889 C LEU A 63 8.373 1.674 -9.428 1.00 0.00 C ATOM 890 O LEU A 63 7.714 0.745 -9.020 1.00 0.00 O ATOM 891 CB LEU A 63 7.612 3.991 -10.167 1.00 0.00 C ATOM 892 CG LEU A 63 6.380 3.482 -11.012 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.770 2.346 -11.980 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.289 2.897 -10.105 1.00 0.00 C ATOM 0 H LEU A 63 8.807 3.997 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 63 7.113 2.982 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.400 4.999 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.481 4.061 -10.822 1.00 0.00 H new ATOM 0 HG LEU A 63 6.026 4.355 -11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.891 2.028 -12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.532 2.704 -12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.163 1.503 -11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.453 2.555 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.696 2.057 -9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.942 3.664 -9.412 1.00 0.00 H new ATOM 906 N ASN A 64 9.376 1.463 -10.254 1.00 0.00 N ATOM 907 CA ASN A 64 9.711 0.053 -10.673 1.00 0.00 C ATOM 908 C ASN A 64 9.739 -0.795 -9.401 1.00 0.00 C ATOM 909 O ASN A 64 9.059 -1.798 -9.287 1.00 0.00 O ATOM 910 CB ASN A 64 11.073 0.057 -11.373 1.00 0.00 C ATOM 911 CG ASN A 64 10.844 0.525 -12.792 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.307 1.574 -13.057 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.227 -0.211 -13.774 1.00 0.00 N ATOM 0 H ASN A 64 9.970 2.191 -10.652 1.00 0.00 H new ATOM 0 HA ASN A 64 8.979 -0.356 -11.370 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.769 0.719 -10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.514 -0.940 -11.363 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.073 0.099 -14.734 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.685 -1.105 -13.593 1.00 0.00 H new ATOM 920 N ASN A 65 10.536 -0.367 -8.454 1.00 0.00 N ATOM 921 CA ASN A 65 10.603 -1.134 -7.176 1.00 0.00 C ATOM 922 C ASN A 65 9.173 -1.330 -6.613 1.00 0.00 C ATOM 923 O ASN A 65 8.829 -2.400 -6.153 1.00 0.00 O ATOM 924 CB ASN A 65 11.582 -0.311 -6.257 1.00 0.00 C ATOM 925 CG ASN A 65 10.971 0.320 -5.024 1.00 0.00 C ATOM 926 OD1 ASN A 65 9.789 0.498 -4.860 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.683 0.738 -4.054 1.00 0.00 N ATOM 0 H ASN A 65 11.130 0.461 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 65 10.989 -2.148 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.389 -0.971 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.033 0.479 -6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.238 1.172 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.698 0.639 -4.086 1.00 0.00 H new ATOM 934 N ALA A 66 8.384 -0.299 -6.684 1.00 0.00 N ATOM 935 CA ALA A 66 6.992 -0.370 -6.167 1.00 0.00 C ATOM 936 C ALA A 66 6.265 -1.528 -6.908 1.00 0.00 C ATOM 937 O ALA A 66 5.643 -2.385 -6.310 1.00 0.00 O ATOM 938 CB ALA A 66 6.373 1.002 -6.431 1.00 0.00 C ATOM 0 H ALA A 66 8.647 0.602 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 66 6.924 -0.585 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.344 1.012 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.948 1.767 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.385 1.207 -7.502 1.00 0.00 H new ATOM 944 N ALA A 67 6.384 -1.511 -8.210 1.00 0.00 N ATOM 945 CA ALA A 67 5.771 -2.545 -9.103 1.00 0.00 C ATOM 946 C ALA A 67 6.423 -3.895 -8.780 1.00 0.00 C ATOM 947 O ALA A 67 5.844 -4.946 -8.965 1.00 0.00 O ATOM 948 CB ALA A 67 6.026 -2.131 -10.571 1.00 0.00 C ATOM 0 H ALA A 67 6.903 -0.792 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 67 4.695 -2.629 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.587 -2.872 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.572 -1.158 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.099 -2.071 -10.751 1.00 0.00 H new ATOM 954 N SER A 68 7.624 -3.823 -8.289 1.00 0.00 N ATOM 955 CA SER A 68 8.359 -5.067 -7.925 1.00 0.00 C ATOM 956 C SER A 68 7.825 -5.544 -6.590 1.00 0.00 C ATOM 957 O SER A 68 8.021 -6.710 -6.291 1.00 0.00 O ATOM 958 CB SER A 68 9.883 -4.813 -7.761 1.00 0.00 C ATOM 959 OG SER A 68 10.409 -5.996 -7.145 1.00 0.00 O ATOM 0 H SER A 68 8.133 -2.955 -8.122 1.00 0.00 H new ATOM 0 HA SER A 68 8.214 -5.799 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.356 -4.631 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.069 -3.934 -7.144 1.00 0.00 H new ATOM 0 HG SER A 68 9.687 -6.646 -7.016 1.00 0.00 H new ATOM 965 N ILE A 69 7.159 -4.697 -5.833 1.00 0.00 N ATOM 966 CA ILE A 69 6.673 -5.236 -4.518 1.00 0.00 C ATOM 967 C ILE A 69 5.697 -6.389 -4.723 1.00 0.00 C ATOM 968 O ILE A 69 5.970 -7.464 -4.223 1.00 0.00 O ATOM 969 CB ILE A 69 5.997 -4.092 -3.660 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.044 -3.254 -2.851 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.939 -4.667 -2.685 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.879 -4.145 -1.868 1.00 0.00 C ATOM 0 H ILE A 69 6.942 -3.723 -6.046 1.00 0.00 H new ATOM 0 HA ILE A 69 7.538 -5.615 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 69 5.508 -3.430 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.718 -2.750 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.528 -2.477 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.494 -3.855 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.162 -5.179 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.416 -5.373 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.592 -3.522 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.209 -4.629 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.417 -4.905 -2.434 1.00 0.00 H new ATOM 984 N PRO A 70 4.605 -6.200 -5.434 1.00 0.00 N ATOM 985 CA PRO A 70 3.565 -7.239 -5.507 1.00 0.00 C ATOM 986 C PRO A 70 4.152 -8.601 -5.865 1.00 0.00 C ATOM 987 O PRO A 70 3.776 -9.602 -5.290 1.00 0.00 O ATOM 988 CB PRO A 70 2.572 -6.692 -6.520 1.00 0.00 C ATOM 989 CG PRO A 70 3.380 -5.672 -7.340 1.00 0.00 C ATOM 990 CD PRO A 70 4.258 -5.021 -6.266 1.00 0.00 C ATOM 0 HA PRO A 70 3.074 -7.433 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.174 -7.485 -7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.722 -6.221 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.975 -6.153 -8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.736 -4.946 -7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.140 -4.541 -6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.721 -4.260 -5.700 1.00 0.00 H new ATOM 998 N SER A 71 5.057 -8.563 -6.803 1.00 0.00 N ATOM 999 CA SER A 71 5.720 -9.835 -7.252 1.00 0.00 C ATOM 1000 C SER A 71 6.670 -10.355 -6.160 1.00 0.00 C ATOM 1001 O SER A 71 6.527 -11.460 -5.677 1.00 0.00 O ATOM 1002 CB SER A 71 6.497 -9.565 -8.546 1.00 0.00 C ATOM 1003 OG SER A 71 7.215 -10.782 -8.687 1.00 0.00 O ATOM 0 H SER A 71 5.369 -7.717 -7.279 1.00 0.00 H new ATOM 0 HA SER A 71 4.961 -10.595 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.837 -9.375 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.159 -8.703 -8.458 1.00 0.00 H new ATOM 0 HG SER A 71 7.766 -10.745 -9.497 1.00 0.00 H new ATOM 1009 N LYS A 72 7.611 -9.529 -5.789 1.00 0.00 N ATOM 1010 CA LYS A 72 8.627 -9.852 -4.738 1.00 0.00 C ATOM 1011 C LYS A 72 7.981 -10.507 -3.501 1.00 0.00 C ATOM 1012 O LYS A 72 8.510 -11.422 -2.903 1.00 0.00 O ATOM 1013 CB LYS A 72 9.256 -8.532 -4.419 1.00 0.00 C ATOM 1014 CG LYS A 72 10.352 -8.601 -3.353 1.00 0.00 C ATOM 1015 CD LYS A 72 10.438 -7.174 -2.732 1.00 0.00 C ATOM 1016 CE LYS A 72 10.528 -6.057 -3.776 1.00 0.00 C ATOM 1017 NZ LYS A 72 11.669 -6.309 -4.696 1.00 0.00 N ATOM 0 H LYS A 72 7.723 -8.598 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 72 9.362 -10.582 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.679 -8.113 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.480 -7.844 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.110 -9.344 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.306 -8.893 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.562 -7.006 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.310 -7.122 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.599 -6.003 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.656 -5.095 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.261 -5.456 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.239 -7.100 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.307 -6.547 -5.641 1.00 0.00 H new ATOM 1031 N CYS A 73 6.846 -9.945 -3.198 1.00 0.00 N ATOM 1032 CA CYS A 73 6.003 -10.365 -2.045 1.00 0.00 C ATOM 1033 C CYS A 73 4.777 -11.216 -2.444 1.00 0.00 C ATOM 1034 O CYS A 73 3.846 -11.363 -1.678 1.00 0.00 O ATOM 1035 CB CYS A 73 5.628 -9.052 -1.413 1.00 0.00 C ATOM 1036 SG CYS A 73 7.006 -7.923 -1.078 1.00 0.00 S ATOM 0 H CYS A 73 6.449 -9.171 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 73 6.531 -11.034 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.917 -8.545 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.112 -9.255 -0.475 1.00 0.00 H new ATOM 1041 N ASN A 74 4.833 -11.754 -3.632 1.00 0.00 N ATOM 1042 CA ASN A 74 3.764 -12.612 -4.251 1.00 0.00 C ATOM 1043 C ASN A 74 2.396 -12.434 -3.537 1.00 0.00 C ATOM 1044 O ASN A 74 1.756 -13.336 -3.021 1.00 0.00 O ATOM 1045 CB ASN A 74 4.252 -14.063 -4.185 1.00 0.00 C ATOM 1046 CG ASN A 74 3.392 -14.851 -5.150 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.758 -15.126 -6.267 1.00 0.00 O ATOM 1048 ND2 ASN A 74 2.215 -15.242 -4.793 1.00 0.00 N ATOM 0 H ASN A 74 5.637 -11.625 -4.247 1.00 0.00 H new ATOM 0 HA ASN A 74 3.596 -12.315 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.305 -14.131 -4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.160 -14.457 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.631 -15.764 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.869 -15.029 -3.857 1.00 0.00 H new ATOM 1055 N VAL A 75 2.016 -11.195 -3.580 1.00 0.00 N ATOM 1056 CA VAL A 75 0.744 -10.714 -2.964 1.00 0.00 C ATOM 1057 C VAL A 75 -0.348 -10.586 -4.023 1.00 0.00 C ATOM 1058 O VAL A 75 -0.721 -9.514 -4.436 1.00 0.00 O ATOM 1059 CB VAL A 75 1.069 -9.324 -2.202 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.106 -8.580 -2.985 1.00 0.00 C ATOM 1061 CG2 VAL A 75 -0.047 -8.334 -2.018 1.00 0.00 C ATOM 0 H VAL A 75 2.556 -10.460 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 75 0.357 -11.426 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 75 1.355 -9.663 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.336 -7.640 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.011 -9.184 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.728 -8.374 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.328 -7.456 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.433 -8.035 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.847 -8.792 -1.436 1.00 0.00 H new ATOM 1071 N ASN A 76 -0.804 -11.738 -4.426 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.892 -11.964 -5.445 1.00 0.00 C ATOM 1073 C ASN A 76 -2.660 -10.749 -6.075 1.00 0.00 C ATOM 1074 O ASN A 76 -3.866 -10.822 -6.186 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.874 -12.941 -4.725 1.00 0.00 C ATOM 1076 CG ASN A 76 -3.127 -12.445 -3.289 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -4.162 -11.728 -3.011 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -2.362 -12.703 -2.386 1.00 0.00 N flip ATOM 0 H ASN A 76 -0.435 -12.615 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.405 -12.330 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.815 -12.998 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.455 -13.947 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.532 -13.268 -2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.548 -12.356 -1.445 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.003 -9.694 -6.477 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.715 -8.505 -7.082 1.00 0.00 C ATOM 1087 C VAL A 77 -2.622 -8.456 -8.608 1.00 0.00 C ATOM 1088 O VAL A 77 -1.750 -9.043 -9.219 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.120 -7.153 -6.577 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.392 -6.874 -5.100 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -0.598 -7.141 -6.796 1.00 0.00 C ATOM 0 H VAL A 77 -0.990 -9.594 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.752 -8.632 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.617 -6.374 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.948 -5.918 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.468 -6.838 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.954 -7.667 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.187 -6.196 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.144 -7.964 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.382 -7.255 -7.858 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.553 -7.747 -9.190 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.279 -6.624 -10.121 1.00 0.00 C ATOM 1103 C PRO A 78 -3.288 -5.168 -9.556 1.00 0.00 C ATOM 1104 O PRO A 78 -2.493 -4.363 -9.994 1.00 0.00 O ATOM 1105 CB PRO A 78 -4.332 -6.861 -11.207 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.390 -7.856 -10.565 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.009 -7.994 -9.072 1.00 0.00 C ATOM 0 HA PRO A 78 -2.241 -6.649 -10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.805 -5.925 -11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.882 -7.291 -12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.403 -7.469 -10.673 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.364 -8.825 -11.064 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.512 -7.263 -8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.239 -8.979 -8.666 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.161 -4.856 -8.630 1.00 0.00 N ATOM 1116 CA TYR A 79 -4.262 -3.476 -8.027 1.00 0.00 C ATOM 1117 C TYR A 79 -3.331 -2.317 -8.526 1.00 0.00 C ATOM 1118 O TYR A 79 -2.276 -2.039 -7.996 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.147 -3.628 -6.440 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.875 -2.293 -5.777 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.744 -1.311 -6.111 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -2.839 -2.034 -4.894 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.601 -0.084 -5.584 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.684 -0.767 -4.342 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.592 0.203 -4.707 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.536 1.476 -4.208 1.00 0.00 O ATOM 0 H TYR A 79 -4.835 -5.521 -8.250 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.226 -3.120 -8.389 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.071 -4.051 -6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.347 -4.327 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.551 -1.513 -6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.147 -2.821 -4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.299 0.693 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.881 -0.551 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.385 1.934 -4.383 1.00 0.00 H new ATOM 1136 N THR A 80 -3.806 -1.663 -9.554 1.00 0.00 N ATOM 1137 CA THR A 80 -3.138 -0.486 -10.261 1.00 0.00 C ATOM 1138 C THR A 80 -1.587 -0.307 -10.331 1.00 0.00 C ATOM 1139 O THR A 80 -1.012 -0.162 -11.393 1.00 0.00 O ATOM 1140 CB THR A 80 -3.700 0.750 -9.642 1.00 0.00 C ATOM 1141 OG1 THR A 80 -5.103 0.614 -9.801 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.378 2.020 -10.416 1.00 0.00 C ATOM 0 H THR A 80 -4.702 -1.908 -9.975 1.00 0.00 H new ATOM 0 HA THR A 80 -3.362 -0.702 -11.306 1.00 0.00 H new ATOM 0 HB THR A 80 -3.308 0.838 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.511 1.502 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.818 2.878 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.297 2.147 -10.472 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.788 1.946 -11.423 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.934 -0.296 -9.197 1.00 0.00 N ATOM 1151 CA ILE A 81 0.574 -0.129 -9.099 1.00 0.00 C ATOM 1152 C ILE A 81 1.165 1.153 -9.797 1.00 0.00 C ATOM 1153 O ILE A 81 2.355 1.212 -10.033 1.00 0.00 O ATOM 1154 CB ILE A 81 1.145 -1.488 -9.691 1.00 0.00 C ATOM 1155 CG1 ILE A 81 0.707 -2.737 -8.884 1.00 0.00 C ATOM 1156 CG2 ILE A 81 2.714 -1.521 -9.708 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.214 -2.685 -7.437 1.00 0.00 C ATOM 0 H ILE A 81 -1.392 -0.399 -8.291 1.00 0.00 H new ATOM 0 HA ILE A 81 0.876 0.048 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 81 0.736 -1.521 -10.701 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.381 -2.808 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.086 -3.636 -9.370 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.053 -2.471 -10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.088 -0.703 -10.323 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.091 -1.413 -8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.886 -3.578 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.303 -2.640 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.813 -1.800 -6.943 1.00 0.00 H new ATOM 1169 N SER A 82 0.363 2.150 -10.091 1.00 0.00 N ATOM 1170 CA SER A 82 0.926 3.390 -10.776 1.00 0.00 C ATOM 1171 C SER A 82 0.771 4.716 -10.008 1.00 0.00 C ATOM 1172 O SER A 82 -0.229 4.923 -9.365 1.00 0.00 O ATOM 1173 CB SER A 82 0.253 3.546 -12.156 1.00 0.00 C ATOM 1174 OG SER A 82 0.816 2.462 -12.890 1.00 0.00 O ATOM 0 H SER A 82 -0.638 2.173 -9.897 1.00 0.00 H new ATOM 0 HA SER A 82 2.000 3.214 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.833 3.473 -12.090 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.480 4.509 -12.613 1.00 0.00 H new ATOM 0 HG SER A 82 0.453 2.460 -13.800 1.00 0.00 H new ATOM 1180 N PRO A 83 1.734 5.607 -10.089 1.00 0.00 N ATOM 1181 CA PRO A 83 1.956 6.668 -9.037 1.00 0.00 C ATOM 1182 C PRO A 83 0.693 7.523 -8.775 1.00 0.00 C ATOM 1183 O PRO A 83 0.266 7.812 -7.674 1.00 0.00 O ATOM 1184 CB PRO A 83 3.136 7.474 -9.595 1.00 0.00 C ATOM 1185 CG PRO A 83 3.877 6.461 -10.501 1.00 0.00 C ATOM 1186 CD PRO A 83 2.725 5.723 -11.202 1.00 0.00 C ATOM 0 HA PRO A 83 2.170 6.253 -8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.796 8.342 -10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.781 7.844 -8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.531 6.961 -11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.500 5.780 -9.921 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.330 6.286 -12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.032 4.749 -11.583 1.00 0.00 H new ATOM 1194 N ASP A 84 0.168 7.880 -9.906 1.00 0.00 N ATOM 1195 CA ASP A 84 -1.060 8.713 -10.109 1.00 0.00 C ATOM 1196 C ASP A 84 -2.369 8.055 -9.605 1.00 0.00 C ATOM 1197 O ASP A 84 -3.381 8.712 -9.435 1.00 0.00 O ATOM 1198 CB ASP A 84 -1.085 8.966 -11.614 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.944 7.582 -12.283 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -1.905 6.836 -12.179 1.00 0.00 O ATOM 1201 OD2 ASP A 84 0.125 7.363 -12.826 1.00 0.00 O ATOM 0 H ASP A 84 0.585 7.598 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.014 9.628 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.015 9.450 -11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.271 9.627 -11.912 1.00 0.00 H new ATOM 1206 N ILE A 85 -2.248 6.780 -9.365 1.00 0.00 N ATOM 1207 CA ILE A 85 -3.332 5.878 -8.893 1.00 0.00 C ATOM 1208 C ILE A 85 -4.648 6.490 -8.427 1.00 0.00 C ATOM 1209 O ILE A 85 -4.876 6.865 -7.300 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.742 5.001 -7.776 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.840 4.018 -7.352 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.215 5.841 -6.569 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.150 2.721 -6.905 1.00 0.00 C ATOM 0 H ILE A 85 -1.362 6.291 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.643 5.332 -9.784 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.868 4.465 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.435 4.435 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.522 3.824 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.810 5.172 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.433 6.518 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.035 6.419 -6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.903 1.996 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.572 2.312 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.484 2.933 -6.068 1.00 0.00 H new ATOM 1225 N ASP A 86 -5.487 6.524 -9.415 1.00 0.00 N ATOM 1226 CA ASP A 86 -6.872 7.060 -9.330 1.00 0.00 C ATOM 1227 C ASP A 86 -7.876 6.001 -8.836 1.00 0.00 C ATOM 1228 O ASP A 86 -8.559 5.328 -9.588 1.00 0.00 O ATOM 1229 CB ASP A 86 -7.229 7.612 -10.755 1.00 0.00 C ATOM 1230 CG ASP A 86 -7.682 9.076 -10.740 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -6.925 9.876 -10.214 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -8.774 9.270 -11.266 1.00 0.00 O ATOM 0 H ASP A 86 -5.251 6.177 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.932 7.859 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.359 7.515 -11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.019 6.998 -11.188 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.868 5.904 -7.533 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.702 5.006 -6.663 1.00 0.00 C ATOM 1239 C CYS A 87 -9.897 4.256 -7.291 1.00 0.00 C ATOM 1240 O CYS A 87 -10.222 3.148 -6.925 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.152 5.909 -5.491 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.816 6.798 -4.665 1.00 0.00 S ATOM 0 H CYS A 87 -7.240 6.482 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.079 4.156 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.875 6.634 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.670 5.294 -4.755 1.00 0.00 H new ATOM 1247 N SER A 88 -10.516 4.878 -8.242 1.00 0.00 N ATOM 1248 CA SER A 88 -11.698 4.273 -8.930 1.00 0.00 C ATOM 1249 C SER A 88 -11.445 3.174 -9.978 1.00 0.00 C ATOM 1250 O SER A 88 -12.277 2.298 -10.090 1.00 0.00 O ATOM 1251 CB SER A 88 -12.492 5.456 -9.555 1.00 0.00 C ATOM 1252 OG SER A 88 -12.460 5.271 -10.975 1.00 0.00 O ATOM 0 H SER A 88 -10.253 5.802 -8.586 1.00 0.00 H new ATOM 0 HA SER A 88 -12.244 3.719 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.519 5.468 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.044 6.411 -9.279 1.00 0.00 H new ATOM 0 HG SER A 88 -13.080 5.899 -11.401 1.00 0.00 H new ATOM 1258 N ARG A 89 -10.359 3.181 -10.705 1.00 0.00 N ATOM 1259 CA ARG A 89 -10.182 2.069 -11.730 1.00 0.00 C ATOM 1260 C ARG A 89 -8.991 1.141 -11.444 1.00 0.00 C ATOM 1261 O ARG A 89 -8.069 0.897 -12.204 1.00 0.00 O ATOM 1262 CB ARG A 89 -10.089 2.725 -13.174 1.00 0.00 C ATOM 1263 CG ARG A 89 -8.849 3.595 -13.477 1.00 0.00 C ATOM 1264 CD ARG A 89 -8.699 4.748 -12.501 1.00 0.00 C ATOM 1265 NE ARG A 89 -9.998 5.527 -12.356 1.00 0.00 N ATOM 1266 CZ ARG A 89 -10.020 6.808 -12.376 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -9.289 7.495 -13.159 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -10.810 7.346 -11.552 1.00 0.00 N ATOM 0 H ARG A 89 -9.608 3.869 -10.652 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.052 1.415 -11.670 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.128 1.924 -13.912 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.977 3.339 -13.324 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.955 2.973 -13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.923 3.988 -14.491 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.392 4.365 -11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.909 5.416 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.873 5.017 -12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.653 7.027 -13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.339 8.514 -13.141 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.373 6.765 -10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.885 8.362 -11.506 1.00 0.00 H new ATOM 1282 N ILE A 90 -9.146 0.642 -10.251 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.198 -0.312 -9.607 1.00 0.00 C ATOM 1284 C ILE A 90 -8.558 -1.733 -9.963 1.00 0.00 C ATOM 1285 O ILE A 90 -9.579 -1.998 -10.566 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.302 -0.080 -8.119 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -7.191 0.896 -7.738 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -8.354 -1.361 -7.230 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -7.419 1.257 -6.293 1.00 0.00 C ATOM 0 H ILE A 90 -9.944 0.873 -9.659 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.176 -0.151 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.280 0.350 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.210 0.440 -7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.221 1.784 -8.369 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.428 -1.073 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.223 -1.959 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.447 -1.947 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.649 1.956 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.400 1.720 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.373 0.356 -5.681 1.00 0.00 H new ATOM 1301 N TYR A 91 -7.679 -2.595 -9.548 1.00 0.00 N ATOM 1302 CA TYR A 91 -7.885 -4.046 -9.824 1.00 0.00 C ATOM 1303 C TYR A 91 -7.867 -4.841 -8.530 1.00 0.00 C ATOM 1304 O TYR A 91 -8.609 -5.809 -8.488 1.00 0.00 O ATOM 1305 CB TYR A 91 -6.771 -4.530 -10.777 1.00 0.00 C ATOM 1306 CG TYR A 91 -6.506 -3.429 -11.796 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -7.562 -2.848 -12.459 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -5.227 -2.985 -12.035 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.349 -1.834 -13.350 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -5.016 -1.961 -12.937 1.00 0.00 C ATOM 1311 CZ TYR A 91 -6.079 -1.386 -13.590 1.00 0.00 C ATOM 1312 OH TYR A 91 -5.898 -0.348 -14.470 1.00 0.00 O ATOM 1313 OXT TYR A 91 -7.115 -4.435 -7.655 1.00 0.00 O ATOM 0 H TYR A 91 -6.830 -2.364 -9.032 1.00 0.00 H new ATOM 0 HA TYR A 91 -8.857 -4.198 -10.292 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.864 -4.757 -10.217 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.073 -5.449 -11.280 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.567 -3.196 -12.274 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.391 -3.435 -11.520 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.185 -1.385 -13.866 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.013 -1.611 -13.130 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.943 -0.139 -14.538 1.00 0.00 H new