USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 384 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 24 CYS SG : rot 81:sc= -3.97! USER MOD Set 1.2: A 26 CYS SG : rot 98:sc= -4.09! USER MOD Set 1.3: A 50 CYS SG : rot -135:sc= -3.23! USER MOD Set 1.4: A 53 CYS SG : rot -108:sc= -4.23! USER MOD Set 2.1: A 45 SER OG : rot 116:sc= -0.412 USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= 0.451 F(o=-3.1!,f=0.039) USER MOD Set 3.1: A 9 CYS SG : rot -179:sc= -0.44! USER MOD Set 3.2: A 12 CYS SG : rot -60:sc= -0.107! USER MOD Set 3.3: A 37 CYS SG : rot -170:sc= -2.65! USER MOD Single : A 13 ASN :FLIP amide:sc= -0.033 F(o=-1.4,f=-0.033) USER MOD Single : A 18 ASN : amide:sc= -1.18! C(o=-1.2!,f=-6.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00116 USER MOD Single : A 32 ASN : amide:sc= -6.34! C(o=-6.3!,f=-6.1!) USER MOD Single : A 34 HIS : no HE2:sc= -9.64! C(o=-9.6!,f=-9.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 122:sc= 1.28 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0694 X(o=-0.069,f=0) USER MOD Single : A 57 TYR OH : rot 99:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 6 6.462 2.024 12.611 1.00 0.00 N ATOM 75 CA VAL A 6 5.286 1.658 11.782 1.00 0.00 C ATOM 76 C VAL A 6 5.144 2.655 10.627 1.00 0.00 C ATOM 77 O VAL A 6 5.050 3.845 10.849 1.00 0.00 O ATOM 78 CB VAL A 6 4.108 1.764 12.746 1.00 0.00 C ATOM 79 CG1 VAL A 6 2.855 1.189 12.090 1.00 0.00 C ATOM 80 CG2 VAL A 6 4.419 0.972 14.016 1.00 0.00 C ATOM 0 HA VAL A 6 5.360 0.667 11.335 1.00 0.00 H new ATOM 0 HB VAL A 6 3.940 2.811 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.015 1.266 12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.631 1.748 11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.024 0.142 11.839 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.579 1.046 14.706 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.587 -0.074 13.760 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.313 1.378 14.488 1.00 0.00 H new ATOM 90 N PRO A 7 5.147 2.139 9.426 1.00 0.00 N ATOM 91 CA PRO A 7 5.033 3.007 8.231 1.00 0.00 C ATOM 92 C PRO A 7 3.613 3.563 8.119 1.00 0.00 C ATOM 93 O PRO A 7 2.652 2.934 8.538 1.00 0.00 O ATOM 94 CB PRO A 7 5.328 2.071 7.073 1.00 0.00 C ATOM 95 CG PRO A 7 4.955 0.724 7.585 1.00 0.00 C ATOM 96 CD PRO A 7 5.252 0.723 9.063 1.00 0.00 C ATOM 0 HA PRO A 7 5.705 3.865 8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.747 2.336 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.379 2.111 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.900 0.519 7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.523 -0.054 7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.540 0.111 9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.245 0.326 9.274 1.00 0.00 H new ATOM 104 N VAL A 8 3.484 4.734 7.556 1.00 0.00 N ATOM 105 CA VAL A 8 2.137 5.364 7.414 1.00 0.00 C ATOM 106 C VAL A 8 1.565 5.160 6.011 1.00 0.00 C ATOM 107 O VAL A 8 2.222 5.409 5.019 1.00 0.00 O ATOM 108 CB VAL A 8 2.332 6.855 7.687 1.00 0.00 C ATOM 109 CG1 VAL A 8 1.003 7.428 8.178 1.00 0.00 C ATOM 110 CG2 VAL A 8 3.391 7.057 8.773 1.00 0.00 C ATOM 0 H VAL A 8 4.258 5.286 7.186 1.00 0.00 H new ATOM 0 HA VAL A 8 1.430 4.910 8.109 1.00 0.00 H new ATOM 0 HB VAL A 8 2.658 7.356 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.118 8.493 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.240 7.284 7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.702 6.916 9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.522 8.123 8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.069 6.565 9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.337 6.627 8.443 1.00 0.00 H new ATOM 120 N CYS A 9 0.333 4.730 5.918 1.00 0.00 N ATOM 121 CA CYS A 9 -0.285 4.538 4.576 1.00 0.00 C ATOM 122 C CYS A 9 -0.416 5.906 3.895 1.00 0.00 C ATOM 123 O CYS A 9 -1.118 6.785 4.357 1.00 0.00 O ATOM 124 CB CYS A 9 -1.650 3.898 4.852 1.00 0.00 C ATOM 125 SG CYS A 9 -2.777 4.200 3.469 1.00 0.00 S ATOM 0 H CYS A 9 -0.268 4.505 6.711 1.00 0.00 H new ATOM 0 HA CYS A 9 0.302 3.907 3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.532 2.825 5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.072 4.307 5.770 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.936 3.673 3.731 1.00 0.00 H new ATOM 130 N TRP A 10 0.288 6.091 2.815 1.00 0.00 N ATOM 131 CA TRP A 10 0.260 7.400 2.095 1.00 0.00 C ATOM 132 C TRP A 10 -1.135 7.739 1.554 1.00 0.00 C ATOM 133 O TRP A 10 -1.373 8.838 1.095 1.00 0.00 O ATOM 134 CB TRP A 10 1.232 7.206 0.933 1.00 0.00 C ATOM 135 CG TRP A 10 0.728 6.103 0.059 1.00 0.00 C ATOM 136 CD1 TRP A 10 0.990 4.784 0.237 1.00 0.00 C ATOM 137 CD2 TRP A 10 -0.122 6.195 -1.120 1.00 0.00 C ATOM 138 NE1 TRP A 10 0.354 4.066 -0.760 1.00 0.00 N ATOM 139 CE2 TRP A 10 -0.344 4.891 -1.620 1.00 0.00 C ATOM 140 CE3 TRP A 10 -0.715 7.276 -1.796 1.00 0.00 C ATOM 141 CZ2 TRP A 10 -1.128 4.666 -2.753 1.00 0.00 C ATOM 142 CZ3 TRP A 10 -1.505 7.054 -2.936 1.00 0.00 C ATOM 143 CH2 TRP A 10 -1.711 5.752 -3.414 1.00 0.00 C ATOM 0 H TRP A 10 0.890 5.384 2.393 1.00 0.00 H new ATOM 0 HA TRP A 10 0.527 8.222 2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 10 1.324 8.129 0.360 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.226 6.964 1.309 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.595 4.364 1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.396 3.051 -0.849 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.562 8.283 -1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.283 3.661 -3.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.956 7.891 -3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.319 5.588 -4.291 1.00 0.00 H new ATOM 154 N ILE A 11 -2.052 6.814 1.574 1.00 0.00 N ATOM 155 CA ILE A 11 -3.408 7.117 1.024 1.00 0.00 C ATOM 156 C ILE A 11 -4.300 7.810 2.060 1.00 0.00 C ATOM 157 O ILE A 11 -4.806 8.890 1.826 1.00 0.00 O ATOM 158 CB ILE A 11 -3.989 5.759 0.641 1.00 0.00 C ATOM 159 CG1 ILE A 11 -3.079 5.101 -0.399 1.00 0.00 C ATOM 160 CG2 ILE A 11 -5.386 5.952 0.048 1.00 0.00 C ATOM 161 CD1 ILE A 11 -3.780 3.880 -0.991 1.00 0.00 C ATOM 0 H ILE A 11 -1.927 5.871 1.942 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.349 7.801 0.177 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.056 5.124 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.837 5.813 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.137 4.804 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.802 4.983 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.032 6.429 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.321 6.583 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.132 3.412 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.999 3.166 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.710 4.190 -1.467 1.00 0.00 H new ATOM 173 N CYS A 12 -4.516 7.198 3.192 1.00 0.00 N ATOM 174 CA CYS A 12 -5.397 7.829 4.219 1.00 0.00 C ATOM 175 C CYS A 12 -4.570 8.452 5.347 1.00 0.00 C ATOM 176 O CYS A 12 -5.108 8.952 6.314 1.00 0.00 O ATOM 177 CB CYS A 12 -6.259 6.687 4.756 1.00 0.00 C ATOM 178 SG CYS A 12 -5.218 5.526 5.674 1.00 0.00 S ATOM 0 H CYS A 12 -4.123 6.293 3.451 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.996 8.636 3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.041 7.081 5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.756 6.174 3.933 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.304 5.045 4.884 1.00 0.00 H new ATOM 183 N ASN A 13 -3.269 8.426 5.240 1.00 0.00 N ATOM 184 CA ASN A 13 -2.429 9.017 6.321 1.00 0.00 C ATOM 185 C ASN A 13 -2.627 8.232 7.619 1.00 0.00 C ATOM 186 O ASN A 13 -3.065 8.763 8.620 1.00 0.00 O ATOM 187 CB ASN A 13 -2.935 10.451 6.479 1.00 0.00 C ATOM 188 CG ASN A 13 -1.823 11.331 7.058 1.00 0.00 C ATOM 189 OD1 ASN A 13 -0.805 10.774 7.656 1.00 0.00 O flip ATOM 190 ND2 ASN A 13 -1.883 12.541 6.965 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.754 8.024 4.457 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.365 8.987 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.256 10.842 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.805 10.469 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.678 12.978 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.139 13.120 7.354 1.00 0.00 H new ATOM 197 N GLU A 14 -2.304 6.970 7.606 1.00 0.00 N ATOM 198 CA GLU A 14 -2.465 6.137 8.832 1.00 0.00 C ATOM 199 C GLU A 14 -1.582 4.899 8.715 1.00 0.00 C ATOM 200 O GLU A 14 -1.745 4.089 7.824 1.00 0.00 O ATOM 201 CB GLU A 14 -3.939 5.741 8.872 1.00 0.00 C ATOM 202 CG GLU A 14 -4.169 4.778 10.038 1.00 0.00 C ATOM 203 CD GLU A 14 -4.548 5.572 11.289 1.00 0.00 C ATOM 204 OE1 GLU A 14 -3.647 6.052 11.958 1.00 0.00 O ATOM 205 OE2 GLU A 14 -5.733 5.688 11.556 1.00 0.00 O ATOM 0 H GLU A 14 -1.933 6.476 6.795 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.176 6.669 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.563 6.627 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.227 5.269 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.961 4.072 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.268 4.194 10.224 1.00 0.00 H new ATOM 212 N GLU A 15 -0.634 4.762 9.587 1.00 0.00 N ATOM 213 CA GLU A 15 0.280 3.593 9.505 1.00 0.00 C ATOM 214 C GLU A 15 -0.427 2.286 9.802 1.00 0.00 C ATOM 215 O GLU A 15 -1.466 2.236 10.429 1.00 0.00 O ATOM 216 CB GLU A 15 1.382 3.873 10.528 1.00 0.00 C ATOM 217 CG GLU A 15 0.756 4.110 11.902 1.00 0.00 C ATOM 218 CD GLU A 15 1.487 5.254 12.607 1.00 0.00 C ATOM 219 OE1 GLU A 15 1.847 6.206 11.933 1.00 0.00 O ATOM 220 OE2 GLU A 15 1.673 5.160 13.808 1.00 0.00 O ATOM 0 H GLU A 15 -0.449 5.407 10.355 1.00 0.00 H new ATOM 0 HA GLU A 15 0.676 3.476 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.074 3.032 10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.961 4.746 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.301 4.352 11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.816 3.202 12.502 1.00 0.00 H new ATOM 227 N LEU A 16 0.163 1.223 9.344 1.00 0.00 N ATOM 228 CA LEU A 16 -0.430 -0.123 9.577 1.00 0.00 C ATOM 229 C LEU A 16 0.478 -0.951 10.491 1.00 0.00 C ATOM 230 O LEU A 16 0.014 -1.749 11.279 1.00 0.00 O ATOM 231 CB LEU A 16 -0.631 -0.825 8.208 1.00 0.00 C ATOM 232 CG LEU A 16 0.095 -0.143 7.023 1.00 0.00 C ATOM 233 CD1 LEU A 16 -0.411 1.285 6.818 1.00 0.00 C ATOM 234 CD2 LEU A 16 1.610 -0.124 7.234 1.00 0.00 C ATOM 0 H LEU A 16 1.035 1.226 8.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.396 -0.023 10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.282 -1.854 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.698 -0.866 7.989 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.126 -0.730 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.116 1.741 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.480 1.265 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.230 1.868 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.090 0.362 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.844 0.426 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.978 -1.146 7.323 1.00 0.00 H new ATOM 246 N GLY A 17 1.763 -0.749 10.416 1.00 0.00 N ATOM 247 CA GLY A 17 2.694 -1.505 11.305 1.00 0.00 C ATOM 248 C GLY A 17 2.902 -2.948 10.822 1.00 0.00 C ATOM 249 O GLY A 17 3.933 -3.538 11.077 1.00 0.00 O ATOM 0 H GLY A 17 2.212 -0.092 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.655 -0.993 11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.298 -1.516 12.320 1.00 0.00 H new ATOM 253 N ASN A 18 1.949 -3.541 10.150 1.00 0.00 N ATOM 254 CA ASN A 18 2.153 -4.950 9.702 1.00 0.00 C ATOM 255 C ASN A 18 1.073 -5.387 8.705 1.00 0.00 C ATOM 256 O ASN A 18 0.698 -6.541 8.663 1.00 0.00 O ATOM 257 CB ASN A 18 2.047 -5.776 10.982 1.00 0.00 C ATOM 258 CG ASN A 18 0.676 -5.539 11.619 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.201 -4.972 11.000 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.452 -5.951 12.836 1.00 0.00 N ATOM 0 H ASN A 18 1.055 -3.120 9.896 1.00 0.00 H new ATOM 0 HA ASN A 18 3.107 -5.074 9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.180 -6.835 10.758 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.838 -5.495 11.677 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.460 -5.797 13.267 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.188 -6.427 13.357 1.00 0.00 H new ATOM 267 N GLU A 19 0.577 -4.493 7.896 1.00 0.00 N ATOM 268 CA GLU A 19 -0.466 -4.899 6.908 1.00 0.00 C ATOM 269 C GLU A 19 0.193 -5.642 5.744 1.00 0.00 C ATOM 270 O GLU A 19 0.817 -5.042 4.890 1.00 0.00 O ATOM 271 CB GLU A 19 -1.099 -3.594 6.425 1.00 0.00 C ATOM 272 CG GLU A 19 -2.473 -3.423 7.080 1.00 0.00 C ATOM 273 CD GLU A 19 -3.570 -3.681 6.045 1.00 0.00 C ATOM 274 OE1 GLU A 19 -3.357 -3.352 4.889 1.00 0.00 O ATOM 275 OE2 GLU A 19 -4.604 -4.205 6.426 1.00 0.00 O ATOM 0 H GLU A 19 0.844 -3.509 7.874 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.212 -5.566 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.456 -2.750 6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.200 -3.606 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.577 -4.115 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.571 -2.416 7.486 1.00 0.00 H new ATOM 282 N ARG A 20 0.073 -6.940 5.705 1.00 0.00 N ATOM 283 CA ARG A 20 0.712 -7.708 4.598 1.00 0.00 C ATOM 284 C ARG A 20 0.047 -7.378 3.260 1.00 0.00 C ATOM 285 O ARG A 20 -0.950 -7.961 2.887 1.00 0.00 O ATOM 286 CB ARG A 20 0.483 -9.177 4.957 1.00 0.00 C ATOM 287 CG ARG A 20 1.574 -9.641 5.926 1.00 0.00 C ATOM 288 CD ARG A 20 0.993 -9.740 7.339 1.00 0.00 C ATOM 289 NE ARG A 20 2.171 -9.937 8.229 1.00 0.00 N ATOM 290 CZ ARG A 20 2.137 -10.842 9.168 1.00 0.00 C ATOM 291 NH1 ARG A 20 1.128 -10.887 9.995 1.00 0.00 N ATOM 292 NH2 ARG A 20 3.110 -11.706 9.278 1.00 0.00 N ATOM 0 H ARG A 20 -0.437 -7.501 6.388 1.00 0.00 H new ATOM 0 HA ARG A 20 1.770 -7.468 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.500 -9.303 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.498 -9.789 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.965 -10.609 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.409 -8.941 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.445 -8.836 7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.294 -10.572 7.420 1.00 0.00 H new ATOM 0 HE ARG A 20 3.005 -9.364 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.366 -10.215 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.101 -11.595 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.897 -11.673 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.083 -12.413 10.012 1.00 0.00 H new ATOM 306 N PHE A 21 0.608 -6.455 2.529 1.00 0.00 N ATOM 307 CA PHE A 21 0.028 -6.094 1.206 1.00 0.00 C ATOM 308 C PHE A 21 1.132 -5.600 0.268 1.00 0.00 C ATOM 309 O PHE A 21 1.627 -4.500 0.408 1.00 0.00 O ATOM 310 CB PHE A 21 -0.978 -4.979 1.497 1.00 0.00 C ATOM 311 CG PHE A 21 -1.517 -4.416 0.199 1.00 0.00 C ATOM 312 CD1 PHE A 21 -1.311 -5.094 -1.014 1.00 0.00 C ATOM 313 CD2 PHE A 21 -2.227 -3.209 0.208 1.00 0.00 C ATOM 314 CE1 PHE A 21 -1.812 -4.564 -2.208 1.00 0.00 C ATOM 315 CE2 PHE A 21 -2.727 -2.680 -0.986 1.00 0.00 C ATOM 316 CZ PHE A 21 -2.520 -3.357 -2.194 1.00 0.00 C ATOM 0 H PHE A 21 1.445 -5.934 2.792 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.448 -6.944 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.797 -5.366 2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.500 -4.188 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.765 -6.026 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.389 -2.686 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.652 -5.086 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.273 -1.748 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.907 -2.947 -3.115 1.00 0.00 H new ATOM 326 N ARG A 22 1.521 -6.397 -0.686 1.00 0.00 N ATOM 327 CA ARG A 22 2.593 -5.957 -1.624 1.00 0.00 C ATOM 328 C ARG A 22 1.977 -5.225 -2.820 1.00 0.00 C ATOM 329 O ARG A 22 1.660 -5.822 -3.830 1.00 0.00 O ATOM 330 CB ARG A 22 3.281 -7.248 -2.075 1.00 0.00 C ATOM 331 CG ARG A 22 4.513 -7.498 -1.204 1.00 0.00 C ATOM 332 CD ARG A 22 5.615 -8.144 -2.047 1.00 0.00 C ATOM 333 NE ARG A 22 6.518 -7.021 -2.426 1.00 0.00 N ATOM 334 CZ ARG A 22 7.589 -6.776 -1.720 1.00 0.00 C ATOM 335 NH1 ARG A 22 8.771 -6.926 -2.251 1.00 0.00 N ATOM 336 NH2 ARG A 22 7.477 -6.382 -0.480 1.00 0.00 N ATOM 0 H ARG A 22 1.146 -7.330 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 22 3.295 -5.266 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.590 -8.088 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.572 -7.171 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.868 -6.558 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.254 -8.147 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.150 -8.907 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.202 -8.633 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 22 6.299 -6.443 -3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.860 -7.235 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.606 -6.734 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.553 -6.266 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.313 -6.191 0.072 1.00 0.00 H new ATOM 350 N ALA A 23 1.800 -3.936 -2.713 1.00 0.00 N ATOM 351 CA ALA A 23 1.199 -3.171 -3.843 1.00 0.00 C ATOM 352 C ALA A 23 2.266 -2.355 -4.572 1.00 0.00 C ATOM 353 O ALA A 23 1.976 -1.645 -5.512 1.00 0.00 O ATOM 354 CB ALA A 23 0.168 -2.249 -3.195 1.00 0.00 C ATOM 0 H ALA A 23 2.045 -3.380 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 23 0.750 -3.829 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.320 -1.651 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.579 -2.848 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.666 -1.590 -2.484 1.00 0.00 H new ATOM 360 N CYS A 24 3.500 -2.441 -4.156 1.00 0.00 N ATOM 361 CA CYS A 24 4.564 -1.656 -4.848 1.00 0.00 C ATOM 362 C CYS A 24 5.886 -1.746 -4.077 1.00 0.00 C ATOM 363 O CYS A 24 5.937 -2.189 -2.947 1.00 0.00 O ATOM 364 CB CYS A 24 4.018 -0.218 -4.878 1.00 0.00 C ATOM 365 SG CYS A 24 5.363 0.998 -4.863 1.00 0.00 S ATOM 0 H CYS A 24 3.817 -3.015 -3.374 1.00 0.00 H new ATOM 0 HA CYS A 24 4.781 -2.026 -5.850 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.407 -0.077 -5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.368 -0.055 -4.018 1.00 0.00 H new ATOM 0 HG CYS A 24 5.838 1.135 -6.066 1.00 0.00 H new ATOM 370 N GLY A 25 6.952 -1.314 -4.691 1.00 0.00 N ATOM 371 CA GLY A 25 8.279 -1.352 -4.017 1.00 0.00 C ATOM 372 C GLY A 25 8.645 0.059 -3.548 1.00 0.00 C ATOM 373 O GLY A 25 8.920 0.283 -2.386 1.00 0.00 O ATOM 0 H GLY A 25 6.960 -0.934 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.250 -2.034 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.038 -1.729 -4.703 1.00 0.00 H new ATOM 377 N CYS A 26 8.646 1.012 -4.447 1.00 0.00 N ATOM 378 CA CYS A 26 8.989 2.413 -4.058 1.00 0.00 C ATOM 379 C CYS A 26 10.149 2.419 -3.057 1.00 0.00 C ATOM 380 O CYS A 26 10.914 1.479 -2.979 1.00 0.00 O ATOM 381 CB CYS A 26 7.716 2.968 -3.421 1.00 0.00 C ATOM 382 SG CYS A 26 6.908 4.110 -4.575 1.00 0.00 S ATOM 0 H CYS A 26 8.424 0.879 -5.434 1.00 0.00 H new ATOM 0 HA CYS A 26 9.310 3.013 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.039 2.152 -3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.957 3.484 -2.492 1.00 0.00 H new ATOM 0 HG CYS A 26 5.951 3.490 -5.200 1.00 0.00 H new ATOM 387 N THR A 27 10.292 3.470 -2.293 1.00 0.00 N ATOM 388 CA THR A 27 11.411 3.520 -1.306 1.00 0.00 C ATOM 389 C THR A 27 10.874 3.435 0.127 1.00 0.00 C ATOM 390 O THR A 27 11.613 3.184 1.058 1.00 0.00 O ATOM 391 CB THR A 27 12.099 4.868 -1.542 1.00 0.00 C ATOM 392 OG1 THR A 27 11.599 5.457 -2.735 1.00 0.00 O ATOM 393 CG2 THR A 27 13.608 4.654 -1.670 1.00 0.00 C ATOM 0 H THR A 27 9.687 4.291 -2.309 1.00 0.00 H new ATOM 0 HA THR A 27 12.099 2.684 -1.433 1.00 0.00 H new ATOM 0 HB THR A 27 11.896 5.531 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.039 6.320 -2.883 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.098 5.613 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.991 4.206 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.811 3.990 -2.510 1.00 0.00 H new ATOM 401 N GLY A 28 9.598 3.640 0.315 1.00 0.00 N ATOM 402 CA GLY A 28 9.033 3.565 1.693 1.00 0.00 C ATOM 403 C GLY A 28 7.581 4.050 1.690 1.00 0.00 C ATOM 404 O GLY A 28 6.667 3.302 1.977 1.00 0.00 O ATOM 0 H GLY A 28 8.926 3.855 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.082 2.540 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.628 4.175 2.373 1.00 0.00 H new ATOM 408 N GLU A 29 7.363 5.298 1.374 1.00 0.00 N ATOM 409 CA GLU A 29 5.970 5.835 1.360 1.00 0.00 C ATOM 410 C GLU A 29 5.015 4.818 0.728 1.00 0.00 C ATOM 411 O GLU A 29 4.093 4.341 1.359 1.00 0.00 O ATOM 412 CB GLU A 29 6.053 7.110 0.511 1.00 0.00 C ATOM 413 CG GLU A 29 4.691 7.412 -0.126 1.00 0.00 C ATOM 414 CD GLU A 29 4.764 8.731 -0.895 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.775 8.963 -1.539 1.00 0.00 O ATOM 416 OE2 GLU A 29 3.809 9.486 -0.830 1.00 0.00 O ATOM 0 H GLU A 29 8.089 5.970 1.125 1.00 0.00 H new ATOM 0 HA GLU A 29 5.589 6.037 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.366 7.949 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.807 6.989 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.406 6.603 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.923 7.471 0.645 1.00 0.00 H new ATOM 423 N LEU A 30 5.228 4.487 -0.513 1.00 0.00 N ATOM 424 CA LEU A 30 4.331 3.506 -1.181 1.00 0.00 C ATOM 425 C LEU A 30 4.648 2.090 -0.694 1.00 0.00 C ATOM 426 O LEU A 30 3.827 1.198 -0.766 1.00 0.00 O ATOM 427 CB LEU A 30 4.633 3.649 -2.672 1.00 0.00 C ATOM 428 CG LEU A 30 3.366 3.372 -3.476 1.00 0.00 C ATOM 429 CD1 LEU A 30 2.806 2.009 -3.079 1.00 0.00 C ATOM 430 CD2 LEU A 30 2.325 4.451 -3.180 1.00 0.00 C ATOM 0 H LEU A 30 5.983 4.852 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 30 3.278 3.686 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.000 4.653 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.420 2.954 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 30 3.602 3.378 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.900 1.807 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.547 1.237 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.570 2.008 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.421 4.252 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.087 4.445 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.724 5.427 -3.457 1.00 0.00 H new ATOM 442 N GLU A 31 5.833 1.879 -0.192 1.00 0.00 N ATOM 443 CA GLU A 31 6.198 0.523 0.304 1.00 0.00 C ATOM 444 C GLU A 31 5.125 0.012 1.269 1.00 0.00 C ATOM 445 O GLU A 31 4.707 -1.126 1.203 1.00 0.00 O ATOM 446 CB GLU A 31 7.530 0.714 1.033 1.00 0.00 C ATOM 447 CG GLU A 31 8.519 -0.363 0.581 1.00 0.00 C ATOM 448 CD GLU A 31 8.195 -1.682 1.285 1.00 0.00 C ATOM 449 OE1 GLU A 31 7.106 -1.793 1.823 1.00 0.00 O ATOM 450 OE2 GLU A 31 9.043 -2.559 1.278 1.00 0.00 O ATOM 0 H GLU A 31 6.563 2.586 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 31 6.277 -0.207 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.933 1.704 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.379 0.654 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.463 -0.492 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.539 -0.056 0.813 1.00 0.00 H new ATOM 457 N ASN A 32 4.679 0.848 2.167 1.00 0.00 N ATOM 458 CA ASN A 32 3.638 0.417 3.139 1.00 0.00 C ATOM 459 C ASN A 32 2.310 1.107 2.839 1.00 0.00 C ATOM 460 O ASN A 32 2.222 2.318 2.822 1.00 0.00 O ATOM 461 CB ASN A 32 4.158 0.880 4.493 1.00 0.00 C ATOM 462 CG ASN A 32 5.602 0.416 4.679 1.00 0.00 C ATOM 463 OD1 ASN A 32 5.849 -0.724 5.019 1.00 0.00 O ATOM 464 ND2 ASN A 32 6.576 1.261 4.470 1.00 0.00 N ATOM 0 H ASN A 32 4.993 1.813 2.268 1.00 0.00 H new ATOM 0 HA ASN A 32 3.462 -0.658 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.104 1.966 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.532 0.479 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.544 0.964 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.368 2.218 4.185 1.00 0.00 H new ATOM 471 N VAL A 33 1.273 0.354 2.618 1.00 0.00 N ATOM 472 CA VAL A 33 -0.044 0.985 2.340 1.00 0.00 C ATOM 473 C VAL A 33 -1.180 0.108 2.863 1.00 0.00 C ATOM 474 O VAL A 33 -1.117 -1.105 2.819 1.00 0.00 O ATOM 475 CB VAL A 33 -0.132 1.101 0.824 1.00 0.00 C ATOM 476 CG1 VAL A 33 0.071 -0.276 0.191 1.00 0.00 C ATOM 477 CG2 VAL A 33 -1.513 1.638 0.456 1.00 0.00 C ATOM 0 H VAL A 33 1.279 -0.666 2.618 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.133 1.955 2.830 1.00 0.00 H new ATOM 0 HB VAL A 33 0.640 1.777 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.008 -0.191 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.052 -0.663 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.701 -0.958 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.592 1.727 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.279 0.953 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.656 2.618 0.912 1.00 0.00 H new ATOM 487 N HIS A 34 -2.222 0.717 3.349 1.00 0.00 N ATOM 488 CA HIS A 34 -3.376 -0.066 3.868 1.00 0.00 C ATOM 489 C HIS A 34 -4.150 -0.703 2.710 1.00 0.00 C ATOM 490 O HIS A 34 -4.764 -0.019 1.916 1.00 0.00 O ATOM 491 CB HIS A 34 -4.245 0.976 4.561 1.00 0.00 C ATOM 492 CG HIS A 34 -3.885 1.061 6.011 1.00 0.00 C ATOM 493 ND1 HIS A 34 -3.746 2.291 6.661 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.615 0.096 6.956 1.00 0.00 C ATOM 495 CE1 HIS A 34 -3.401 2.035 7.942 1.00 0.00 C ATOM 496 NE2 HIS A 34 -3.316 0.728 8.145 1.00 0.00 N ATOM 0 H HIS A 34 -2.325 1.730 3.410 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.070 -0.876 4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.109 1.948 4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.297 0.713 4.454 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.880 3.212 6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.634 -0.972 6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.220 2.789 8.694 1.00 0.00 H new ATOM 504 N ARG A 35 -4.134 -2.003 2.604 1.00 0.00 N ATOM 505 CA ARG A 35 -4.882 -2.661 1.494 1.00 0.00 C ATOM 506 C ARG A 35 -6.362 -2.283 1.566 1.00 0.00 C ATOM 507 O ARG A 35 -7.108 -2.466 0.624 1.00 0.00 O ATOM 508 CB ARG A 35 -4.702 -4.162 1.721 1.00 0.00 C ATOM 509 CG ARG A 35 -5.508 -4.934 0.673 1.00 0.00 C ATOM 510 CD ARG A 35 -4.570 -5.827 -0.140 1.00 0.00 C ATOM 511 NE ARG A 35 -5.458 -6.843 -0.771 1.00 0.00 N ATOM 512 CZ ARG A 35 -5.823 -7.898 -0.095 1.00 0.00 C ATOM 513 NH1 ARG A 35 -4.948 -8.550 0.619 1.00 0.00 N ATOM 514 NH2 ARG A 35 -7.064 -8.300 -0.133 1.00 0.00 N ATOM 0 H ARG A 35 -3.639 -2.635 3.233 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.518 -2.355 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.647 -4.428 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.035 -4.432 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.271 -5.540 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.027 -4.238 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.031 -5.252 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.822 -6.298 0.498 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.780 -6.714 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.978 -8.235 0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.233 -9.375 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.749 -7.790 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.349 -9.125 0.395 1.00 0.00 H new ATOM 528 N SER A 36 -6.794 -1.758 2.680 1.00 0.00 N ATOM 529 CA SER A 36 -8.228 -1.371 2.818 1.00 0.00 C ATOM 530 C SER A 36 -8.518 -0.096 2.014 1.00 0.00 C ATOM 531 O SER A 36 -9.368 -0.083 1.146 1.00 0.00 O ATOM 532 CB SER A 36 -8.428 -1.125 4.312 1.00 0.00 C ATOM 533 OG SER A 36 -9.818 -1.013 4.587 1.00 0.00 O ATOM 0 H SER A 36 -6.216 -1.580 3.501 1.00 0.00 H new ATOM 0 HA SER A 36 -8.901 -2.140 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.996 -1.943 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.911 -0.214 4.615 1.00 0.00 H new ATOM 0 HG SER A 36 -9.950 -0.857 5.545 1.00 0.00 H new ATOM 539 N CYS A 37 -7.823 0.975 2.294 1.00 0.00 N ATOM 540 CA CYS A 37 -8.080 2.241 1.529 1.00 0.00 C ATOM 541 C CYS A 37 -7.360 2.222 0.177 1.00 0.00 C ATOM 542 O CYS A 37 -7.749 2.912 -0.742 1.00 0.00 O ATOM 543 CB CYS A 37 -7.589 3.429 2.384 1.00 0.00 C ATOM 544 SG CYS A 37 -6.091 3.024 3.323 1.00 0.00 S ATOM 0 H CYS A 37 -7.097 1.033 3.008 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.147 2.337 1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.390 4.283 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.378 3.729 3.074 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.843 3.974 4.176 1.00 0.00 H new ATOM 550 N LEU A 38 -6.326 1.439 0.032 1.00 0.00 N ATOM 551 CA LEU A 38 -5.619 1.401 -1.282 1.00 0.00 C ATOM 552 C LEU A 38 -6.381 0.494 -2.250 1.00 0.00 C ATOM 553 O LEU A 38 -6.825 0.921 -3.296 1.00 0.00 O ATOM 554 CB LEU A 38 -4.229 0.834 -0.986 1.00 0.00 C ATOM 555 CG LEU A 38 -3.570 0.363 -2.289 1.00 0.00 C ATOM 556 CD1 LEU A 38 -3.604 1.488 -3.328 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.114 -0.022 -2.013 1.00 0.00 C ATOM 0 H LEU A 38 -5.943 0.831 0.756 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.553 2.386 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.610 1.594 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.307 0.002 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.115 -0.500 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.134 1.146 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.638 1.766 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.063 2.354 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.645 -0.357 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.576 0.843 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.083 -0.827 -1.279 1.00 0.00 H new ATOM 569 N SER A 39 -6.550 -0.753 -1.903 1.00 0.00 N ATOM 570 CA SER A 39 -7.299 -1.676 -2.801 1.00 0.00 C ATOM 571 C SER A 39 -8.617 -1.026 -3.217 1.00 0.00 C ATOM 572 O SER A 39 -9.041 -1.125 -4.351 1.00 0.00 O ATOM 573 CB SER A 39 -7.556 -2.927 -1.962 1.00 0.00 C ATOM 574 OG SER A 39 -8.029 -3.968 -2.806 1.00 0.00 O ATOM 0 H SER A 39 -6.203 -1.171 -1.040 1.00 0.00 H new ATOM 0 HA SER A 39 -6.751 -1.911 -3.713 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.639 -3.238 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.288 -2.713 -1.184 1.00 0.00 H new ATOM 0 HG SER A 39 -8.194 -4.773 -2.272 1.00 0.00 H new ATOM 580 N THR A 40 -9.264 -0.352 -2.306 1.00 0.00 N ATOM 581 CA THR A 40 -10.551 0.316 -2.646 1.00 0.00 C ATOM 582 C THR A 40 -10.268 1.617 -3.396 1.00 0.00 C ATOM 583 O THR A 40 -10.963 1.973 -4.327 1.00 0.00 O ATOM 584 CB THR A 40 -11.227 0.599 -1.302 1.00 0.00 C ATOM 585 OG1 THR A 40 -12.601 0.887 -1.518 1.00 0.00 O ATOM 586 CG2 THR A 40 -10.556 1.794 -0.623 1.00 0.00 C ATOM 0 H THR A 40 -8.956 -0.235 -1.341 1.00 0.00 H new ATOM 0 HA THR A 40 -11.184 -0.297 -3.288 1.00 0.00 H new ATOM 0 HB THR A 40 -11.132 -0.277 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.037 1.067 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.042 1.990 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.502 1.573 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.645 2.673 -1.262 1.00 0.00 H new ATOM 594 N TRP A 41 -9.246 2.326 -3.000 1.00 0.00 N ATOM 595 CA TRP A 41 -8.916 3.599 -3.697 1.00 0.00 C ATOM 596 C TRP A 41 -8.658 3.322 -5.181 1.00 0.00 C ATOM 597 O TRP A 41 -9.317 3.865 -6.045 1.00 0.00 O ATOM 598 CB TRP A 41 -7.649 4.113 -3.006 1.00 0.00 C ATOM 599 CG TRP A 41 -6.984 5.135 -3.872 1.00 0.00 C ATOM 600 CD1 TRP A 41 -7.412 6.409 -4.026 1.00 0.00 C ATOM 601 CD2 TRP A 41 -5.794 4.998 -4.704 1.00 0.00 C ATOM 602 NE1 TRP A 41 -6.556 7.066 -4.891 1.00 0.00 N ATOM 603 CE2 TRP A 41 -5.545 6.240 -5.337 1.00 0.00 C ATOM 604 CE3 TRP A 41 -4.914 3.931 -4.968 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -4.462 6.417 -6.200 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -3.824 4.108 -5.837 1.00 0.00 C ATOM 607 CH2 TRP A 41 -3.598 5.348 -6.450 1.00 0.00 C ATOM 0 H TRP A 41 -8.628 2.079 -2.227 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.723 4.330 -3.645 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.901 4.549 -2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.966 3.285 -2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.280 6.842 -3.551 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.660 8.043 -5.166 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.078 2.971 -4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.293 7.374 -6.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.156 3.283 -6.034 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.757 5.477 -7.115 1.00 0.00 H new ATOM 618 N LEU A 42 -7.715 2.474 -5.485 1.00 0.00 N ATOM 619 CA LEU A 42 -7.438 2.162 -6.916 1.00 0.00 C ATOM 620 C LEU A 42 -8.707 1.622 -7.578 1.00 0.00 C ATOM 621 O LEU A 42 -8.983 1.891 -8.730 1.00 0.00 O ATOM 622 CB LEU A 42 -6.342 1.095 -6.900 1.00 0.00 C ATOM 623 CG LEU A 42 -6.756 -0.064 -5.989 1.00 0.00 C ATOM 624 CD1 LEU A 42 -7.440 -1.152 -6.818 1.00 0.00 C ATOM 625 CD2 LEU A 42 -5.511 -0.646 -5.318 1.00 0.00 C ATOM 0 H LEU A 42 -7.127 1.986 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.125 3.042 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.164 0.729 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.406 1.528 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.448 0.300 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.733 -1.975 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.325 -0.739 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.750 -1.519 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.800 -1.472 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.822 -1.009 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.022 0.127 -4.726 1.00 0.00 H new ATOM 637 N THR A 43 -9.483 0.868 -6.850 1.00 0.00 N ATOM 638 CA THR A 43 -10.742 0.318 -7.426 1.00 0.00 C ATOM 639 C THR A 43 -11.681 1.468 -7.799 1.00 0.00 C ATOM 640 O THR A 43 -12.293 1.468 -8.849 1.00 0.00 O ATOM 641 CB THR A 43 -11.344 -0.535 -6.306 1.00 0.00 C ATOM 642 OG1 THR A 43 -10.648 -1.771 -6.230 1.00 0.00 O ATOM 643 CG2 THR A 43 -12.823 -0.797 -6.592 1.00 0.00 C ATOM 0 H THR A 43 -9.300 0.609 -5.881 1.00 0.00 H new ATOM 0 HA THR A 43 -10.575 -0.265 -8.331 1.00 0.00 H new ATOM 0 HB THR A 43 -11.252 -0.004 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.265 -1.876 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.246 -1.404 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.356 0.152 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.922 -1.326 -7.540 1.00 0.00 H new ATOM 651 N ILE A 44 -11.790 2.451 -6.947 1.00 0.00 N ATOM 652 CA ILE A 44 -12.678 3.610 -7.249 1.00 0.00 C ATOM 653 C ILE A 44 -11.986 4.550 -8.237 1.00 0.00 C ATOM 654 O ILE A 44 -12.608 5.116 -9.115 1.00 0.00 O ATOM 655 CB ILE A 44 -12.887 4.302 -5.903 1.00 0.00 C ATOM 656 CG1 ILE A 44 -13.859 3.479 -5.055 1.00 0.00 C ATOM 657 CG2 ILE A 44 -13.466 5.700 -6.128 1.00 0.00 C ATOM 658 CD1 ILE A 44 -13.754 3.912 -3.594 1.00 0.00 C ATOM 0 H ILE A 44 -11.301 2.502 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.622 3.309 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.931 4.386 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.879 3.618 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.630 2.417 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.614 6.192 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.775 6.287 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.422 5.619 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.446 3.326 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.736 3.750 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.004 4.969 -3.509 1.00 0.00 H new ATOM 670 N SER A 45 -10.697 4.715 -8.106 1.00 0.00 N ATOM 671 CA SER A 45 -9.960 5.611 -9.040 1.00 0.00 C ATOM 672 C SER A 45 -9.554 4.836 -10.298 1.00 0.00 C ATOM 673 O SER A 45 -8.934 5.370 -11.194 1.00 0.00 O ATOM 674 CB SER A 45 -8.721 6.063 -8.265 1.00 0.00 C ATOM 675 OG SER A 45 -7.806 4.978 -8.161 1.00 0.00 O ATOM 0 H SER A 45 -10.123 4.267 -7.392 1.00 0.00 H new ATOM 0 HA SER A 45 -10.565 6.457 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.248 6.904 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.006 6.409 -7.271 1.00 0.00 H new ATOM 0 HG SER A 45 -6.978 5.201 -8.636 1.00 0.00 H new ATOM 681 N ARG A 46 -9.902 3.579 -10.366 1.00 0.00 N ATOM 682 CA ARG A 46 -9.540 2.767 -11.563 1.00 0.00 C ATOM 683 C ARG A 46 -8.017 2.688 -11.718 1.00 0.00 C ATOM 684 O ARG A 46 -7.458 3.151 -12.692 1.00 0.00 O ATOM 685 CB ARG A 46 -10.164 3.507 -12.747 1.00 0.00 C ATOM 686 CG ARG A 46 -10.343 2.536 -13.917 1.00 0.00 C ATOM 687 CD ARG A 46 -11.834 2.316 -14.177 1.00 0.00 C ATOM 688 NE ARG A 46 -12.324 1.561 -12.990 1.00 0.00 N ATOM 689 CZ ARG A 46 -13.599 1.320 -12.849 1.00 0.00 C ATOM 690 NH1 ARG A 46 -14.325 1.013 -13.889 1.00 0.00 N ATOM 691 NH2 ARG A 46 -14.148 1.386 -11.667 1.00 0.00 N ATOM 0 H ARG A 46 -10.421 3.080 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.900 1.741 -11.487 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.127 3.929 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.528 4.340 -13.046 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.863 2.935 -14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.859 1.586 -13.692 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.360 3.264 -14.286 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.996 1.754 -15.097 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.662 1.232 -12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.896 0.961 -14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.321 0.825 -13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.581 1.626 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.144 1.198 -11.556 1.00 0.00 H new ATOM 705 N ASN A 47 -7.343 2.096 -10.768 1.00 0.00 N ATOM 706 CA ASN A 47 -5.858 1.977 -10.863 1.00 0.00 C ATOM 707 C ASN A 47 -5.443 0.520 -10.642 1.00 0.00 C ATOM 708 O ASN A 47 -6.138 -0.238 -9.996 1.00 0.00 O ATOM 709 CB ASN A 47 -5.318 2.868 -9.744 1.00 0.00 C ATOM 710 CG ASN A 47 -5.269 4.320 -10.224 1.00 0.00 C ATOM 711 OD1 ASN A 47 -5.682 5.271 -9.431 1.00 0.00 O flip ATOM 712 ND2 ASN A 47 -4.850 4.593 -11.331 1.00 0.00 N flip ATOM 0 H ASN A 47 -7.757 1.689 -9.929 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.474 2.277 -11.838 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.953 2.787 -8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.322 2.537 -9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.527 3.851 -11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.821 5.565 -11.640 1.00 0.00 H new ATOM 719 N THR A 48 -4.326 0.111 -11.183 1.00 0.00 N ATOM 720 CA THR A 48 -3.897 -1.307 -11.002 1.00 0.00 C ATOM 721 C THR A 48 -2.416 -1.400 -10.613 1.00 0.00 C ATOM 722 O THR A 48 -1.954 -2.431 -10.166 1.00 0.00 O ATOM 723 CB THR A 48 -4.136 -1.963 -12.362 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.138 -1.532 -13.275 1.00 0.00 O ATOM 725 CG2 THR A 48 -5.517 -1.563 -12.883 1.00 0.00 C ATOM 0 H THR A 48 -3.697 0.691 -11.738 1.00 0.00 H new ATOM 0 HA THR A 48 -4.450 -1.795 -10.199 1.00 0.00 H new ATOM 0 HB THR A 48 -4.088 -3.047 -12.259 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.289 -1.953 -14.147 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.689 -2.030 -13.853 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.281 -1.894 -12.180 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.566 -0.479 -12.988 1.00 0.00 H new ATOM 733 N ALA A 49 -1.665 -0.345 -10.778 1.00 0.00 N ATOM 734 CA ALA A 49 -0.219 -0.410 -10.414 1.00 0.00 C ATOM 735 C ALA A 49 0.278 0.949 -9.913 1.00 0.00 C ATOM 736 O ALA A 49 -0.182 1.989 -10.340 1.00 0.00 O ATOM 737 CB ALA A 49 0.499 -0.797 -11.706 1.00 0.00 C ATOM 0 H ALA A 49 -1.985 0.551 -11.145 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.035 -1.124 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.571 -0.865 -11.520 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.129 -1.762 -12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.310 -0.040 -12.468 1.00 0.00 H new ATOM 743 N CYS A 50 1.222 0.942 -9.012 1.00 0.00 N ATOM 744 CA CYS A 50 1.762 2.226 -8.479 1.00 0.00 C ATOM 745 C CYS A 50 2.241 3.116 -9.631 1.00 0.00 C ATOM 746 O CYS A 50 3.021 2.701 -10.465 1.00 0.00 O ATOM 747 CB CYS A 50 2.940 1.822 -7.591 1.00 0.00 C ATOM 748 SG CYS A 50 3.803 3.305 -7.016 1.00 0.00 S ATOM 0 H CYS A 50 1.644 0.100 -8.621 1.00 0.00 H new ATOM 0 HA CYS A 50 1.011 2.793 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.584 1.243 -6.739 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.625 1.183 -8.147 1.00 0.00 H new ATOM 0 HG CYS A 50 5.086 3.138 -7.146 1.00 0.00 H new ATOM 754 N GLN A 51 1.779 4.335 -9.682 1.00 0.00 N ATOM 755 CA GLN A 51 2.209 5.250 -10.780 1.00 0.00 C ATOM 756 C GLN A 51 3.539 5.919 -10.420 1.00 0.00 C ATOM 757 O GLN A 51 4.162 6.565 -11.239 1.00 0.00 O ATOM 758 CB GLN A 51 1.094 6.290 -10.887 1.00 0.00 C ATOM 759 CG GLN A 51 -0.075 5.707 -11.683 1.00 0.00 C ATOM 760 CD GLN A 51 -0.525 6.712 -12.744 1.00 0.00 C ATOM 761 OE1 GLN A 51 -0.673 6.367 -13.900 1.00 0.00 O ATOM 762 NE2 GLN A 51 -0.749 7.950 -12.399 1.00 0.00 N ATOM 0 H GLN A 51 1.123 4.738 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 51 2.365 4.723 -11.721 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.759 6.583 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.468 7.190 -11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.225 4.772 -12.157 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.903 5.474 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.625 8.240 -11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.048 8.628 -13.099 1.00 0.00 H new ATOM 771 N ILE A 52 3.977 5.771 -9.199 1.00 0.00 N ATOM 772 CA ILE A 52 5.266 6.400 -8.785 1.00 0.00 C ATOM 773 C ILE A 52 6.446 5.671 -9.433 1.00 0.00 C ATOM 774 O ILE A 52 7.314 6.281 -10.026 1.00 0.00 O ATOM 775 CB ILE A 52 5.312 6.253 -7.264 1.00 0.00 C ATOM 776 CG1 ILE A 52 4.019 6.806 -6.659 1.00 0.00 C ATOM 777 CG2 ILE A 52 6.506 7.034 -6.712 1.00 0.00 C ATOM 778 CD1 ILE A 52 3.799 8.238 -7.152 1.00 0.00 C ATOM 0 H ILE A 52 3.499 5.242 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 52 5.332 7.443 -9.094 1.00 0.00 H new ATOM 0 HB ILE A 52 5.415 5.199 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.174 6.178 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.077 6.789 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.539 6.929 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.428 6.642 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.403 8.088 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.879 8.633 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.639 8.861 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.722 8.241 -8.239 1.00 0.00 H new ATOM 790 N CYS A 53 6.486 4.370 -9.329 1.00 0.00 N ATOM 791 CA CYS A 53 7.615 3.610 -9.944 1.00 0.00 C ATOM 792 C CYS A 53 7.090 2.670 -11.034 1.00 0.00 C ATOM 793 O CYS A 53 7.838 2.181 -11.857 1.00 0.00 O ATOM 794 CB CYS A 53 8.249 2.816 -8.800 1.00 0.00 C ATOM 795 SG CYS A 53 6.966 1.941 -7.871 1.00 0.00 S ATOM 0 H CYS A 53 5.790 3.801 -8.847 1.00 0.00 H new ATOM 0 HA CYS A 53 8.340 4.271 -10.419 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.972 2.104 -9.197 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.795 3.488 -8.138 1.00 0.00 H new ATOM 0 HG CYS A 53 6.809 2.506 -6.711 1.00 0.00 H new ATOM 801 N GLY A 54 5.807 2.426 -11.056 1.00 0.00 N ATOM 802 CA GLY A 54 5.236 1.534 -12.106 1.00 0.00 C ATOM 803 C GLY A 54 5.197 0.083 -11.616 1.00 0.00 C ATOM 804 O GLY A 54 5.625 -0.822 -12.304 1.00 0.00 O ATOM 0 H GLY A 54 5.131 2.805 -10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.230 1.864 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.836 1.601 -13.014 1.00 0.00 H new ATOM 808 N VAL A 55 4.675 -0.153 -10.444 1.00 0.00 N ATOM 809 CA VAL A 55 4.596 -1.555 -9.934 1.00 0.00 C ATOM 810 C VAL A 55 3.131 -1.929 -9.693 1.00 0.00 C ATOM 811 O VAL A 55 2.384 -1.189 -9.084 1.00 0.00 O ATOM 812 CB VAL A 55 5.386 -1.565 -8.625 1.00 0.00 C ATOM 813 CG1 VAL A 55 5.627 -3.014 -8.192 1.00 0.00 C ATOM 814 CG2 VAL A 55 6.736 -0.873 -8.833 1.00 0.00 C ATOM 0 H VAL A 55 4.300 0.560 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 55 5.003 -2.278 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 55 4.821 -1.037 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.190 -3.026 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.670 -3.514 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.193 -3.535 -8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.297 -0.881 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.301 -1.402 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.572 0.157 -9.148 1.00 0.00 H new ATOM 824 N VAL A 56 2.708 -3.063 -10.180 1.00 0.00 N ATOM 825 CA VAL A 56 1.285 -3.471 -9.995 1.00 0.00 C ATOM 826 C VAL A 56 0.957 -3.696 -8.517 1.00 0.00 C ATOM 827 O VAL A 56 1.764 -4.191 -7.756 1.00 0.00 O ATOM 828 CB VAL A 56 1.140 -4.774 -10.775 1.00 0.00 C ATOM 829 CG1 VAL A 56 -0.329 -5.194 -10.783 1.00 0.00 C ATOM 830 CG2 VAL A 56 1.617 -4.559 -12.212 1.00 0.00 C ATOM 0 H VAL A 56 3.285 -3.725 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 56 0.601 -2.698 -10.346 1.00 0.00 H new ATOM 0 HB VAL A 56 1.740 -5.553 -10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.438 -6.125 -11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.671 -5.341 -9.759 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.927 -4.416 -11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.515 -5.488 -12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.014 -3.783 -12.683 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.663 -4.252 -12.206 1.00 0.00 H new ATOM 840 N TYR A 57 -0.233 -3.338 -8.112 1.00 0.00 N ATOM 841 CA TYR A 57 -0.635 -3.529 -6.689 1.00 0.00 C ATOM 842 C TYR A 57 -0.722 -5.021 -6.362 1.00 0.00 C ATOM 843 O TYR A 57 -0.221 -5.482 -5.357 1.00 0.00 O ATOM 844 CB TYR A 57 -2.011 -2.867 -6.579 1.00 0.00 C ATOM 845 CG TYR A 57 -1.896 -1.418 -6.982 1.00 0.00 C ATOM 846 CD1 TYR A 57 -0.746 -0.699 -6.654 1.00 0.00 C ATOM 847 CD2 TYR A 57 -2.932 -0.798 -7.690 1.00 0.00 C ATOM 848 CE1 TYR A 57 -0.624 0.641 -7.031 1.00 0.00 C ATOM 849 CE2 TYR A 57 -2.814 0.545 -8.067 1.00 0.00 C ATOM 850 CZ TYR A 57 -1.659 1.265 -7.739 1.00 0.00 C ATOM 851 OH TYR A 57 -1.540 2.588 -8.113 1.00 0.00 O ATOM 0 H TYR A 57 -0.946 -2.920 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 57 0.081 -3.096 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.727 -3.380 -7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.385 -2.945 -5.558 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.052 -1.179 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.821 -1.355 -7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.268 1.195 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.614 1.026 -8.611 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.252 2.639 -9.048 1.00 0.00 H new