USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 515 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 26 CYS SG : rot 90:sc= 0.295 USER MOD Set 2.2: A 28 CYS SG : rot 113:sc= 2.37 USER MOD Set 2.3: A 53 CYS SG : rot -174:sc= -1.5 USER MOD Set 2.4: A 58 CYS SG : rot 103:sc= -0.398 USER MOD Set 3.1: A 8 CYS SG : rot 177:sc= 0.0415 USER MOD Set 3.2: A 11 CYS SG : rot -112:sc= 0.496 USER MOD Set 3.3: A 15 TYR OH : rot 16:sc= 0.662 USER MOD Set 3.4: A 31 CYS SG : rot -39:sc= 0.555 USER MOD Set 3.5: A 34 CYS SG : rot 69:sc= 0.856 USER MOD Single : A 7 SER OG : rot 149:sc= 1.4 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.99) USER MOD Single : A 20 MET CE :methyl 138:sc= -0.608 (180deg=-3.73!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -4.09! C(o=-4.1!,f=-6.1!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000624 USER MOD Single : A 38 TYR OH : rot 101:sc= -1.76! USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -1.66 (180deg=-2.64) USER MOD Single : A 49 THR OG1 : rot -110:sc= -1.02 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -14.8! C(o=-15!,f=-8.2!) USER MOD Single : A 67 ASN : amide:sc= -2.94! C(o=-2.9!,f=-1.3!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -148:sc= 0 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.522 -5.239 1.448 1.00 0.00 N ATOM 92 CA SER A 7 -14.479 -3.785 1.364 1.00 0.00 C ATOM 93 C SER A 7 -13.222 -3.320 0.634 1.00 0.00 C ATOM 94 O SER A 7 -13.300 -2.664 -0.405 1.00 0.00 O ATOM 95 CB SER A 7 -14.526 -3.170 2.764 1.00 0.00 C ATOM 96 OG SER A 7 -14.659 -4.172 3.756 1.00 0.00 O ATOM 0 HA SER A 7 -15.350 -3.453 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.617 -2.595 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.362 -2.474 2.831 1.00 0.00 H new ATOM 0 HG SER A 7 -14.206 -3.883 4.576 1.00 0.00 H new ATOM 102 N CYS A 8 -12.064 -3.665 1.186 1.00 0.00 N ATOM 103 CA CYS A 8 -10.789 -3.285 0.589 1.00 0.00 C ATOM 104 C CYS A 8 -10.711 -3.740 -0.865 1.00 0.00 C ATOM 105 O CYS A 8 -11.355 -4.712 -1.259 1.00 0.00 O ATOM 106 CB CYS A 8 -9.630 -3.887 1.386 1.00 0.00 C ATOM 107 SG CYS A 8 -8.007 -3.146 1.014 1.00 0.00 S ATOM 0 H CYS A 8 -11.982 -4.207 2.046 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.714 -2.198 0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.835 -3.770 2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.583 -4.957 1.186 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.102 -3.675 1.783 1.00 0.00 H new ATOM 112 N LYS A 9 -9.918 -3.028 -1.660 1.00 0.00 N ATOM 113 CA LYS A 9 -9.753 -3.358 -3.070 1.00 0.00 C ATOM 114 C LYS A 9 -8.281 -3.321 -3.469 1.00 0.00 C ATOM 115 O LYS A 9 -7.946 -3.016 -4.615 1.00 0.00 O ATOM 116 CB LYS A 9 -10.553 -2.385 -3.939 1.00 0.00 C ATOM 117 CG LYS A 9 -11.848 -1.918 -3.296 1.00 0.00 C ATOM 118 CD LYS A 9 -12.726 -1.175 -4.288 1.00 0.00 C ATOM 119 CE LYS A 9 -13.183 0.165 -3.733 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.041 0.903 -4.701 1.00 0.00 N ATOM 0 H LYS A 9 -9.380 -2.219 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.128 -4.369 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.934 -1.516 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.782 -2.865 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.390 -2.777 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.622 -1.268 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.176 -1.017 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.596 -1.784 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.735 0.005 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.312 0.771 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.332 1.811 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.506 1.078 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.885 0.336 -4.919 1.00 0.00 H new ATOM 134 N LEU A 10 -7.407 -3.633 -2.519 1.00 0.00 N ATOM 135 CA LEU A 10 -5.970 -3.636 -2.772 1.00 0.00 C ATOM 136 C LEU A 10 -5.381 -5.026 -2.550 1.00 0.00 C ATOM 137 O LEU A 10 -4.417 -5.416 -3.208 1.00 0.00 O ATOM 138 CB LEU A 10 -5.270 -2.623 -1.866 1.00 0.00 C ATOM 139 CG LEU A 10 -5.911 -1.236 -1.788 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.325 -0.441 -0.632 1.00 0.00 C ATOM 141 CD2 LEU A 10 -5.726 -0.489 -3.101 1.00 0.00 C ATOM 0 H LEU A 10 -7.668 -3.887 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.809 -3.355 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.224 -3.037 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.242 -2.507 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.979 -1.360 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.793 0.543 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.510 -0.969 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.251 -0.326 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.188 0.496 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.662 -0.376 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.195 -1.051 -3.909 1.00 0.00 H new ATOM 153 N CYS A 11 -5.969 -5.771 -1.619 1.00 0.00 N ATOM 154 CA CYS A 11 -5.506 -7.117 -1.310 1.00 0.00 C ATOM 155 C CYS A 11 -6.605 -8.144 -1.568 1.00 0.00 C ATOM 156 O CYS A 11 -6.447 -9.328 -1.269 1.00 0.00 O ATOM 157 CB CYS A 11 -5.048 -7.200 0.146 1.00 0.00 C ATOM 158 SG CYS A 11 -6.337 -6.765 1.358 1.00 0.00 S ATOM 0 H CYS A 11 -6.768 -5.463 -1.065 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.662 -7.342 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.701 -8.213 0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.195 -6.536 0.285 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.019 -5.651 1.948 1.00 0.00 H new ATOM 163 N LEU A 12 -7.720 -7.682 -2.125 1.00 0.00 N ATOM 164 CA LEU A 12 -8.846 -8.559 -2.424 1.00 0.00 C ATOM 165 C LEU A 12 -9.365 -9.230 -1.156 1.00 0.00 C ATOM 166 O LEU A 12 -9.910 -10.332 -1.203 1.00 0.00 O ATOM 167 CB LEU A 12 -8.434 -9.621 -3.445 1.00 0.00 C ATOM 168 CG LEU A 12 -7.597 -9.129 -4.625 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.636 -10.135 -5.764 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.088 -7.768 -5.097 1.00 0.00 C ATOM 0 H LEU A 12 -7.868 -6.705 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.647 -7.951 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.872 -10.397 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.337 -10.090 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.564 -9.026 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.034 -9.767 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.236 -11.089 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.666 -10.271 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.480 -7.433 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.129 -7.845 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.007 -7.049 -4.282 1.00 0.00 H new ATOM 182 N GLY A 13 -9.195 -8.554 -0.024 1.00 0.00 N ATOM 183 CA GLY A 13 -9.654 -9.100 1.241 1.00 0.00 C ATOM 184 C GLY A 13 -11.024 -8.580 1.633 1.00 0.00 C ATOM 185 O GLY A 13 -11.821 -8.205 0.774 1.00 0.00 O ATOM 0 H GLY A 13 -8.748 -7.639 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.687 -10.187 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.937 -8.851 2.023 1.00 0.00 H new ATOM 189 N GLU A 14 -11.297 -8.561 2.934 1.00 0.00 N ATOM 190 CA GLU A 14 -12.581 -8.087 3.437 1.00 0.00 C ATOM 191 C GLU A 14 -12.398 -7.283 4.721 1.00 0.00 C ATOM 192 O GLU A 14 -12.532 -6.058 4.724 1.00 0.00 O ATOM 193 CB GLU A 14 -13.522 -9.265 3.690 1.00 0.00 C ATOM 194 CG GLU A 14 -12.800 -10.585 3.906 1.00 0.00 C ATOM 195 CD GLU A 14 -12.725 -11.422 2.644 1.00 0.00 C ATOM 196 OE1 GLU A 14 -12.494 -10.843 1.562 1.00 0.00 O ATOM 197 OE2 GLU A 14 -12.898 -12.655 2.738 1.00 0.00 O ATOM 0 H GLU A 14 -10.647 -8.868 3.658 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.021 -7.437 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.135 -9.048 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.200 -9.366 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.791 -10.388 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.312 -11.152 4.684 1.00 0.00 H new ATOM 204 N TYR A 15 -12.093 -7.978 5.810 1.00 0.00 N ATOM 205 CA TYR A 15 -11.895 -7.331 7.101 1.00 0.00 C ATOM 206 C TYR A 15 -13.144 -6.565 7.523 1.00 0.00 C ATOM 207 O TYR A 15 -13.899 -6.051 6.697 1.00 0.00 O ATOM 208 CB TYR A 15 -10.697 -6.381 7.041 1.00 0.00 C ATOM 209 CG TYR A 15 -9.514 -6.947 6.287 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.369 -6.733 4.922 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.542 -7.694 6.940 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.291 -7.248 4.229 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.459 -8.211 6.255 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.339 -7.986 4.900 1.00 0.00 C ATOM 215 OH TYR A 15 -6.262 -8.501 4.215 1.00 0.00 O ATOM 0 H TYR A 15 -11.977 -8.991 5.825 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.699 -8.107 7.841 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.006 -5.449 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.387 -6.136 8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.112 -6.154 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.634 -7.874 8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.194 -7.074 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.711 -8.788 6.778 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.186 -8.058 3.344 1.00 0.00 H new ATOM 225 N PRO A 16 -13.370 -6.483 8.843 1.00 0.00 N ATOM 226 CA PRO A 16 -14.526 -5.781 9.407 1.00 0.00 C ATOM 227 C PRO A 16 -14.428 -4.269 9.232 1.00 0.00 C ATOM 228 O PRO A 16 -13.439 -3.758 8.707 1.00 0.00 O ATOM 229 CB PRO A 16 -14.477 -6.150 10.891 1.00 0.00 C ATOM 230 CG PRO A 16 -13.045 -6.465 11.156 1.00 0.00 C ATOM 231 CD PRO A 16 -12.512 -7.071 9.886 1.00 0.00 C ATOM 0 HA PRO A 16 -15.455 -6.066 8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.823 -5.326 11.515 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.117 -7.005 11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.490 -5.565 11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.946 -7.159 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.462 -6.822 9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.583 -8.159 9.899 1.00 0.00 H new ATOM 239 N VAL A 17 -15.460 -3.558 9.674 1.00 0.00 N ATOM 240 CA VAL A 17 -15.490 -2.104 9.567 1.00 0.00 C ATOM 241 C VAL A 17 -14.655 -1.456 10.666 1.00 0.00 C ATOM 242 O VAL A 17 -14.361 -0.262 10.611 1.00 0.00 O ATOM 243 CB VAL A 17 -16.930 -1.564 9.645 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.957 -0.213 10.343 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.538 -1.467 8.252 1.00 0.00 C ATOM 0 H VAL A 17 -16.287 -3.966 10.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.068 -1.849 8.595 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.530 -2.260 10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.983 0.153 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.564 -0.318 11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.344 0.496 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.556 -1.084 8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.939 -0.792 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.555 -2.455 7.793 1.00 0.00 H new ATOM 255 N GLU A 18 -14.278 -2.250 11.662 1.00 0.00 N ATOM 256 CA GLU A 18 -13.479 -1.752 12.776 1.00 0.00 C ATOM 257 C GLU A 18 -11.994 -2.018 12.540 1.00 0.00 C ATOM 258 O GLU A 18 -11.152 -1.662 13.363 1.00 0.00 O ATOM 259 CB GLU A 18 -13.924 -2.406 14.085 1.00 0.00 C ATOM 260 CG GLU A 18 -14.349 -1.408 15.149 1.00 0.00 C ATOM 261 CD GLU A 18 -15.356 -1.988 16.124 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.072 -2.936 15.740 1.00 0.00 O ATOM 263 OE2 GLU A 18 -15.427 -1.494 17.268 1.00 0.00 O ATOM 0 H GLU A 18 -14.513 -3.241 11.721 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.632 -0.675 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.754 -3.082 13.880 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.107 -3.014 14.474 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.470 -1.071 15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.779 -0.530 14.667 1.00 0.00 H new ATOM 270 N GLN A 19 -11.684 -2.646 11.410 1.00 0.00 N ATOM 271 CA GLN A 19 -10.302 -2.961 11.067 1.00 0.00 C ATOM 272 C GLN A 19 -9.816 -2.092 9.912 1.00 0.00 C ATOM 273 O GLN A 19 -8.615 -1.977 9.673 1.00 0.00 O ATOM 274 CB GLN A 19 -10.170 -4.440 10.698 1.00 0.00 C ATOM 275 CG GLN A 19 -9.904 -5.343 11.892 1.00 0.00 C ATOM 276 CD GLN A 19 -9.536 -6.755 11.484 1.00 0.00 C ATOM 277 OE1 GLN A 19 -8.716 -6.962 10.589 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.141 -7.738 12.141 1.00 0.00 N ATOM 0 H GLN A 19 -12.370 -2.946 10.717 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.682 -2.754 11.939 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.085 -4.766 10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.360 -4.555 9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.097 -4.920 12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.790 -5.371 12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.814 -7.521 12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.932 -8.709 11.911 1.00 0.00 H new ATOM 287 N MET A 20 -10.759 -1.482 9.200 1.00 0.00 N ATOM 288 CA MET A 20 -10.426 -0.623 8.070 1.00 0.00 C ATOM 289 C MET A 20 -10.355 0.839 8.502 1.00 0.00 C ATOM 290 O MET A 20 -10.731 1.186 9.622 1.00 0.00 O ATOM 291 CB MET A 20 -11.459 -0.787 6.955 1.00 0.00 C ATOM 292 CG MET A 20 -12.268 -2.070 7.060 1.00 0.00 C ATOM 293 SD MET A 20 -12.708 -2.748 5.448 1.00 0.00 S ATOM 294 CE MET A 20 -11.086 -3.102 4.775 1.00 0.00 C ATOM 0 H MET A 20 -11.758 -1.567 9.386 1.00 0.00 H new ATOM 0 HA MET A 20 -9.447 -0.922 7.695 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.139 0.064 6.973 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.949 -0.767 5.992 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.695 -2.811 7.618 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.177 -1.876 7.629 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.104 -4.068 4.271 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.811 -2.325 4.062 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.355 -3.128 5.583 1.00 0.00 H new ATOM 304 N THR A 21 -9.869 1.693 7.606 1.00 0.00 N ATOM 305 CA THR A 21 -9.747 3.117 7.895 1.00 0.00 C ATOM 306 C THR A 21 -10.123 3.958 6.680 1.00 0.00 C ATOM 307 O THR A 21 -9.744 3.644 5.552 1.00 0.00 O ATOM 308 CB THR A 21 -8.317 3.480 8.334 1.00 0.00 C ATOM 309 OG1 THR A 21 -8.035 2.904 9.614 1.00 0.00 O ATOM 310 CG2 THR A 21 -8.137 4.990 8.401 1.00 0.00 C ATOM 0 H THR A 21 -9.554 1.423 6.674 1.00 0.00 H new ATOM 0 HA THR A 21 -10.436 3.335 8.711 1.00 0.00 H new ATOM 0 HB THR A 21 -7.623 3.080 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.123 3.139 9.885 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.119 5.222 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.322 5.422 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.841 5.409 9.120 1.00 0.00 H new ATOM 318 N THR A 22 -10.873 5.031 6.919 1.00 0.00 N ATOM 319 CA THR A 22 -11.301 5.917 5.844 1.00 0.00 C ATOM 320 C THR A 22 -10.116 6.664 5.244 1.00 0.00 C ATOM 321 O THR A 22 -9.033 6.702 5.828 1.00 0.00 O ATOM 322 CB THR A 22 -12.340 6.939 6.341 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.478 6.259 6.881 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.781 7.856 5.210 1.00 0.00 C ATOM 0 H THR A 22 -11.196 5.306 7.847 1.00 0.00 H new ATOM 0 HA THR A 22 -11.757 5.290 5.078 1.00 0.00 H new ATOM 0 HB THR A 22 -11.876 7.545 7.120 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.133 6.916 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.515 8.569 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.917 8.395 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.227 7.262 4.413 1.00 0.00 H new ATOM 332 N ILE A 23 -10.330 7.260 4.075 1.00 0.00 N ATOM 333 CA ILE A 23 -9.279 8.009 3.396 1.00 0.00 C ATOM 334 C ILE A 23 -9.102 9.391 4.015 1.00 0.00 C ATOM 335 O ILE A 23 -8.270 9.583 4.901 1.00 0.00 O ATOM 336 CB ILE A 23 -9.579 8.165 1.894 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.494 6.809 1.191 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.615 9.158 1.261 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.173 6.102 1.399 1.00 0.00 C ATOM 0 H ILE A 23 -11.221 7.239 3.579 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.357 7.439 3.516 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.592 8.549 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.300 6.170 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.656 6.952 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.840 9.257 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.721 10.128 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.592 8.801 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.184 5.148 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.364 6.721 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.018 5.927 2.464 1.00 0.00 H new ATOM 351 N ALA A 24 -9.891 10.349 3.542 1.00 0.00 N ATOM 352 CA ALA A 24 -9.824 11.714 4.051 1.00 0.00 C ATOM 353 C ALA A 24 -10.476 12.694 3.082 1.00 0.00 C ATOM 354 O ALA A 24 -10.862 13.797 3.467 1.00 0.00 O ATOM 355 CB ALA A 24 -8.378 12.110 4.312 1.00 0.00 C ATOM 0 H ALA A 24 -10.584 10.206 2.807 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.375 11.752 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.343 13.131 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.943 11.434 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.811 12.049 3.383 1.00 0.00 H new ATOM 361 N GLN A 25 -10.595 12.284 1.823 1.00 0.00 N ATOM 362 CA GLN A 25 -11.199 13.128 0.798 1.00 0.00 C ATOM 363 C GLN A 25 -12.355 12.408 0.114 1.00 0.00 C ATOM 364 O GLN A 25 -13.483 12.902 0.093 1.00 0.00 O ATOM 365 CB GLN A 25 -10.152 13.538 -0.238 1.00 0.00 C ATOM 366 CG GLN A 25 -9.566 14.920 0.003 1.00 0.00 C ATOM 367 CD GLN A 25 -9.456 15.259 1.476 1.00 0.00 C ATOM 368 OE1 GLN A 25 -8.844 14.523 2.250 1.00 0.00 O ATOM 369 NE2 GLN A 25 -10.050 16.379 1.871 1.00 0.00 N ATOM 0 H GLN A 25 -10.281 11.373 1.488 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.588 14.023 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.345 12.805 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.604 13.512 -1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.578 14.976 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.188 15.666 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.546 16.959 1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.010 16.659 2.851 1.00 0.00 H new ATOM 378 N CYS A 26 -12.069 11.239 -0.448 1.00 0.00 N ATOM 379 CA CYS A 26 -13.083 10.450 -1.135 1.00 0.00 C ATOM 380 C CYS A 26 -13.930 9.665 -0.138 1.00 0.00 C ATOM 381 O CYS A 26 -15.108 9.402 -0.381 1.00 0.00 O ATOM 382 CB CYS A 26 -12.427 9.490 -2.130 1.00 0.00 C ATOM 383 SG CYS A 26 -11.242 8.332 -1.374 1.00 0.00 S ATOM 0 H CYS A 26 -11.141 10.816 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.734 11.136 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.206 8.918 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.913 10.072 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.863 7.247 -1.018 1.00 0.00 H new ATOM 388 N GLN A 27 -13.322 9.295 0.984 1.00 0.00 N ATOM 389 CA GLN A 27 -14.021 8.540 2.017 1.00 0.00 C ATOM 390 C GLN A 27 -14.145 7.071 1.629 1.00 0.00 C ATOM 391 O GLN A 27 -15.224 6.484 1.714 1.00 0.00 O ATOM 392 CB GLN A 27 -15.409 9.134 2.263 1.00 0.00 C ATOM 393 CG GLN A 27 -15.431 10.654 2.256 1.00 0.00 C ATOM 394 CD GLN A 27 -15.579 11.242 3.645 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.687 11.536 4.093 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.459 11.416 4.338 1.00 0.00 N ATOM 0 H GLN A 27 -12.348 9.505 1.201 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.438 8.606 2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.093 8.766 1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.782 8.778 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.511 11.025 1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.254 10.999 1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.561 11.159 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.497 11.807 5.279 1.00 0.00 H new ATOM 405 N CYS A 28 -13.033 6.482 1.201 1.00 0.00 N ATOM 406 CA CYS A 28 -13.017 5.081 0.797 1.00 0.00 C ATOM 407 C CYS A 28 -12.675 4.178 1.980 1.00 0.00 C ATOM 408 O CYS A 28 -12.462 4.654 3.095 1.00 0.00 O ATOM 409 CB CYS A 28 -12.007 4.866 -0.332 1.00 0.00 C ATOM 410 SG CYS A 28 -12.563 5.476 -1.955 1.00 0.00 S ATOM 0 H CYS A 28 -12.132 6.953 1.125 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.013 4.820 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.074 5.364 -0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.789 3.801 -0.412 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.831 6.489 -2.312 1.00 0.00 H new ATOM 415 N ILE A 29 -12.626 2.875 1.727 1.00 0.00 N ATOM 416 CA ILE A 29 -12.309 1.907 2.769 1.00 0.00 C ATOM 417 C ILE A 29 -11.136 1.022 2.359 1.00 0.00 C ATOM 418 O ILE A 29 -11.132 0.442 1.274 1.00 0.00 O ATOM 419 CB ILE A 29 -13.521 1.014 3.095 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.558 0.693 4.591 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.473 -0.266 2.274 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.953 0.443 5.121 1.00 0.00 C ATOM 0 H ILE A 29 -12.802 2.465 0.810 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.038 2.477 3.658 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.431 1.554 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.943 -0.187 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.111 1.520 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.336 -0.886 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.490 -0.018 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.558 -0.812 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.903 0.222 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.567 1.330 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.396 -0.403 4.595 1.00 0.00 H new ATOM 434 N PHE A 30 -10.143 0.922 3.237 1.00 0.00 N ATOM 435 CA PHE A 30 -8.965 0.107 2.968 1.00 0.00 C ATOM 436 C PHE A 30 -8.334 -0.384 4.268 1.00 0.00 C ATOM 437 O PHE A 30 -8.122 0.392 5.201 1.00 0.00 O ATOM 438 CB PHE A 30 -7.939 0.907 2.161 1.00 0.00 C ATOM 439 CG PHE A 30 -8.434 1.319 0.804 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.912 2.601 0.587 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.421 0.425 -0.253 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.368 2.985 -0.660 1.00 0.00 C ATOM 443 CE2 PHE A 30 -8.876 0.803 -1.503 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.350 2.084 -1.706 1.00 0.00 C ATOM 0 H PHE A 30 -10.131 1.395 4.140 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.279 -0.760 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.661 1.798 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.035 0.309 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.929 3.309 1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.052 -0.578 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.738 3.988 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.861 0.097 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.706 2.381 -2.681 1.00 0.00 H new ATOM 454 N CYS A 31 -8.037 -1.678 4.322 1.00 0.00 N ATOM 455 CA CYS A 31 -7.432 -2.274 5.507 1.00 0.00 C ATOM 456 C CYS A 31 -6.102 -1.604 5.835 1.00 0.00 C ATOM 457 O CYS A 31 -5.234 -1.463 4.972 1.00 0.00 O ATOM 458 CB CYS A 31 -7.221 -3.776 5.296 1.00 0.00 C ATOM 459 SG CYS A 31 -5.823 -4.183 4.201 1.00 0.00 S ATOM 0 H CYS A 31 -8.205 -2.334 3.559 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.111 -2.123 6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.060 -4.249 6.265 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.132 -4.205 4.879 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.781 -3.334 3.217 1.00 0.00 H new ATOM 464 N THR A 32 -5.946 -1.191 7.089 1.00 0.00 N ATOM 465 CA THR A 32 -4.723 -0.534 7.532 1.00 0.00 C ATOM 466 C THR A 32 -3.505 -1.096 6.810 1.00 0.00 C ATOM 467 O THR A 32 -2.695 -0.347 6.261 1.00 0.00 O ATOM 468 CB THR A 32 -4.521 -0.689 9.052 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.707 -0.287 9.747 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.341 0.145 9.528 1.00 0.00 C ATOM 0 H THR A 32 -6.653 -1.300 7.816 1.00 0.00 H new ATOM 0 HA THR A 32 -4.828 0.524 7.292 1.00 0.00 H new ATOM 0 HB THR A 32 -4.314 -1.738 9.264 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.571 -0.390 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.217 0.020 10.604 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.435 -0.182 9.018 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.524 1.196 9.304 1.00 0.00 H new ATOM 478 N LEU A 33 -3.381 -2.419 6.810 1.00 0.00 N ATOM 479 CA LEU A 33 -2.260 -3.082 6.152 1.00 0.00 C ATOM 480 C LEU A 33 -1.911 -2.389 4.839 1.00 0.00 C ATOM 481 O LEU A 33 -0.855 -1.769 4.713 1.00 0.00 O ATOM 482 CB LEU A 33 -2.592 -4.553 5.894 1.00 0.00 C ATOM 483 CG LEU A 33 -1.954 -5.563 6.848 1.00 0.00 C ATOM 484 CD1 LEU A 33 -0.619 -6.043 6.302 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.778 -4.953 8.231 1.00 0.00 C ATOM 0 H LEU A 33 -4.042 -3.053 7.258 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.396 -3.022 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.674 -4.674 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.286 -4.801 4.877 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.619 -6.423 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.180 -6.761 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.772 -6.519 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.053 -5.193 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.323 -5.686 8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.135 -4.076 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.751 -4.659 8.626 1.00 0.00 H new ATOM 497 N CYS A 34 -2.807 -2.496 3.864 1.00 0.00 N ATOM 498 CA CYS A 34 -2.596 -1.879 2.560 1.00 0.00 C ATOM 499 C CYS A 34 -2.451 -0.365 2.692 1.00 0.00 C ATOM 500 O CYS A 34 -1.399 0.197 2.384 1.00 0.00 O ATOM 501 CB CYS A 34 -3.759 -2.210 1.621 1.00 0.00 C ATOM 502 SG CYS A 34 -4.127 -3.990 1.495 1.00 0.00 S ATOM 0 H CYS A 34 -3.687 -3.005 3.952 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.673 -2.281 2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.651 -1.689 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.531 -1.826 0.627 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.613 -4.414 2.624 1.00 0.00 H new ATOM 507 N LEU A 35 -3.512 0.288 3.151 1.00 0.00 N ATOM 508 CA LEU A 35 -3.503 1.736 3.324 1.00 0.00 C ATOM 509 C LEU A 35 -2.248 2.189 4.063 1.00 0.00 C ATOM 510 O LEU A 35 -1.866 3.357 4.001 1.00 0.00 O ATOM 511 CB LEU A 35 -4.749 2.185 4.089 1.00 0.00 C ATOM 512 CG LEU A 35 -5.175 3.640 3.885 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.593 3.875 2.442 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.306 4.003 4.836 1.00 0.00 C ATOM 0 H LEU A 35 -4.390 -0.162 3.410 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.505 2.195 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.580 1.541 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.575 2.024 5.153 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.323 4.283 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.893 4.915 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.755 3.655 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.431 3.223 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.596 5.042 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.162 3.354 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.972 3.873 5.865 1.00 0.00 H new ATOM 526 N LYS A 36 -1.609 1.254 4.759 1.00 0.00 N ATOM 527 CA LYS A 36 -0.394 1.555 5.507 1.00 0.00 C ATOM 528 C LYS A 36 0.843 1.359 4.637 1.00 0.00 C ATOM 529 O LYS A 36 1.498 2.326 4.248 1.00 0.00 O ATOM 530 CB LYS A 36 -0.302 0.666 6.749 1.00 0.00 C ATOM 531 CG LYS A 36 1.046 0.731 7.446 1.00 0.00 C ATOM 532 CD LYS A 36 1.776 -0.599 7.372 1.00 0.00 C ATOM 533 CE LYS A 36 2.738 -0.773 8.538 1.00 0.00 C ATOM 534 NZ LYS A 36 3.240 -2.171 8.639 1.00 0.00 N ATOM 0 H LYS A 36 -1.912 0.282 4.820 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.437 2.599 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.080 0.959 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.504 -0.366 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.657 1.508 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.904 1.012 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.051 -1.413 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.326 -0.662 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.581 -0.092 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.237 -0.499 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.892 -2.248 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.438 -2.818 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.741 -2.424 7.763 1.00 0.00 H new ATOM 548 N GLN A 37 1.157 0.103 4.335 1.00 0.00 N ATOM 549 CA GLN A 37 2.315 -0.218 3.509 1.00 0.00 C ATOM 550 C GLN A 37 2.381 0.691 2.287 1.00 0.00 C ATOM 551 O GLN A 37 3.441 0.861 1.683 1.00 0.00 O ATOM 552 CB GLN A 37 2.263 -1.681 3.069 1.00 0.00 C ATOM 553 CG GLN A 37 3.487 -2.485 3.481 1.00 0.00 C ATOM 554 CD GLN A 37 3.139 -3.889 3.932 1.00 0.00 C ATOM 555 OE1 GLN A 37 2.923 -4.781 3.111 1.00 0.00 O ATOM 556 NE2 GLN A 37 3.084 -4.094 5.242 1.00 0.00 N ATOM 0 H GLN A 37 0.626 -0.709 4.650 1.00 0.00 H new ATOM 0 HA GLN A 37 3.212 -0.057 4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.373 -2.147 3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.160 -1.722 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.181 -2.539 2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.003 -1.966 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.270 -3.326 5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.856 -5.020 5.604 1.00 0.00 H new ATOM 565 N TYR A 38 1.243 1.275 1.927 1.00 0.00 N ATOM 566 CA TYR A 38 1.171 2.165 0.775 1.00 0.00 C ATOM 567 C TYR A 38 1.621 3.574 1.145 1.00 0.00 C ATOM 568 O TYR A 38 2.545 4.122 0.544 1.00 0.00 O ATOM 569 CB TYR A 38 -0.255 2.202 0.221 1.00 0.00 C ATOM 570 CG TYR A 38 -0.723 3.590 -0.153 1.00 0.00 C ATOM 571 CD1 TYR A 38 0.085 4.438 -0.902 1.00 0.00 C ATOM 572 CD2 TYR A 38 -1.971 4.055 0.242 1.00 0.00 C ATOM 573 CE1 TYR A 38 -0.338 5.708 -1.246 1.00 0.00 C ATOM 574 CE2 TYR A 38 -2.403 5.322 -0.099 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.582 6.144 -0.842 1.00 0.00 C ATOM 576 OH TYR A 38 -2.008 7.409 -1.182 1.00 0.00 O ATOM 0 H TYR A 38 0.358 1.148 2.417 1.00 0.00 H new ATOM 0 HA TYR A 38 1.842 1.779 0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.311 1.560 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.935 1.786 0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.060 4.099 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.615 3.414 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.302 6.355 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.377 5.667 0.214 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.627 7.353 -1.940 1.00 0.00 H new ATOM 586 N VAL A 39 0.962 4.156 2.143 1.00 0.00 N ATOM 587 CA VAL A 39 1.294 5.501 2.597 1.00 0.00 C ATOM 588 C VAL A 39 2.606 5.510 3.375 1.00 0.00 C ATOM 589 O VAL A 39 3.505 6.297 3.084 1.00 0.00 O ATOM 590 CB VAL A 39 0.180 6.084 3.486 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.148 6.091 2.742 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.068 5.300 4.784 1.00 0.00 C ATOM 0 H VAL A 39 0.195 3.717 2.652 1.00 0.00 H new ATOM 0 HA VAL A 39 1.399 6.119 1.705 1.00 0.00 H new ATOM 0 HB VAL A 39 0.438 7.114 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.923 6.506 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.058 6.700 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.415 5.071 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.724 5.726 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.166 4.259 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.014 5.352 5.323 1.00 0.00 H new ATOM 602 N GLU A 40 2.707 4.629 4.365 1.00 0.00 N ATOM 603 CA GLU A 40 3.909 4.536 5.185 1.00 0.00 C ATOM 604 C GLU A 40 5.163 4.717 4.334 1.00 0.00 C ATOM 605 O GLU A 40 6.177 5.233 4.805 1.00 0.00 O ATOM 606 CB GLU A 40 3.959 3.187 5.905 1.00 0.00 C ATOM 607 CG GLU A 40 4.297 3.298 7.383 1.00 0.00 C ATOM 608 CD GLU A 40 5.589 2.588 7.740 1.00 0.00 C ATOM 609 OE1 GLU A 40 5.567 1.749 8.664 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.620 2.873 7.097 1.00 0.00 O ATOM 0 H GLU A 40 1.971 3.970 4.619 1.00 0.00 H new ATOM 0 HA GLU A 40 3.875 5.334 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.994 2.691 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.699 2.552 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.378 4.350 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.481 2.878 7.971 1.00 0.00 H new ATOM 617 N LEU A 41 5.086 4.290 3.079 1.00 0.00 N ATOM 618 CA LEU A 41 6.213 4.404 2.161 1.00 0.00 C ATOM 619 C LEU A 41 6.253 5.786 1.517 1.00 0.00 C ATOM 620 O LEU A 41 7.325 6.361 1.323 1.00 0.00 O ATOM 621 CB LEU A 41 6.127 3.326 1.079 1.00 0.00 C ATOM 622 CG LEU A 41 6.767 1.981 1.418 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.284 2.096 1.422 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.266 1.476 2.764 1.00 0.00 C ATOM 0 H LEU A 41 4.254 3.861 2.673 1.00 0.00 H new ATOM 0 HA LEU A 41 7.131 4.263 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.076 3.157 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.596 3.711 0.173 1.00 0.00 H new ATOM 0 HG LEU A 41 6.480 1.261 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.722 1.128 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.628 2.412 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.591 2.831 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.732 0.517 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.523 2.196 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.184 1.353 2.727 1.00 0.00 H new ATOM 636 N LEU A 42 5.080 6.315 1.189 1.00 0.00 N ATOM 637 CA LEU A 42 4.980 7.631 0.570 1.00 0.00 C ATOM 638 C LEU A 42 4.893 8.727 1.627 1.00 0.00 C ATOM 639 O LEU A 42 5.778 9.576 1.730 1.00 0.00 O ATOM 640 CB LEU A 42 3.757 7.694 -0.348 1.00 0.00 C ATOM 641 CG LEU A 42 3.951 7.145 -1.762 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.620 6.701 -2.349 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.607 8.190 -2.653 1.00 0.00 C ATOM 0 H LEU A 42 4.184 5.852 1.342 1.00 0.00 H new ATOM 0 HA LEU A 42 5.880 7.794 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.943 7.144 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.438 8.733 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 42 4.608 6.277 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.777 6.313 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.188 5.920 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.939 7.551 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.738 7.783 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.974 9.076 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.579 8.460 -2.241 1.00 0.00 H new ATOM 655 N ILE A 43 3.821 8.699 2.413 1.00 0.00 N ATOM 656 CA ILE A 43 3.620 9.688 3.465 1.00 0.00 C ATOM 657 C ILE A 43 4.934 10.026 4.159 1.00 0.00 C ATOM 658 O ILE A 43 5.097 11.115 4.709 1.00 0.00 O ATOM 659 CB ILE A 43 2.610 9.193 4.516 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.516 10.241 4.737 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.318 8.875 5.824 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.268 9.994 3.920 1.00 0.00 C ATOM 0 H ILE A 43 3.079 8.003 2.341 1.00 0.00 H new ATOM 0 HA ILE A 43 3.224 10.583 2.986 1.00 0.00 H new ATOM 0 HB ILE A 43 2.143 8.279 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.251 10.260 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.913 11.226 4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.590 8.526 6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.063 8.098 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.809 9.773 6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.463 10.775 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.519 10.005 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.153 9.024 4.183 1.00 0.00 H new ATOM 674 N LYS A 44 5.872 9.086 4.129 1.00 0.00 N ATOM 675 CA LYS A 44 7.176 9.284 4.752 1.00 0.00 C ATOM 676 C LYS A 44 8.055 10.191 3.899 1.00 0.00 C ATOM 677 O LYS A 44 8.722 11.087 4.414 1.00 0.00 O ATOM 678 CB LYS A 44 7.871 7.937 4.967 1.00 0.00 C ATOM 679 CG LYS A 44 8.186 7.641 6.423 1.00 0.00 C ATOM 680 CD LYS A 44 6.930 7.642 7.278 1.00 0.00 C ATOM 681 CE LYS A 44 6.320 6.251 7.373 1.00 0.00 C ATOM 682 NZ LYS A 44 6.108 5.835 8.786 1.00 0.00 N ATOM 0 H LYS A 44 5.754 8.178 3.679 1.00 0.00 H new ATOM 0 HA LYS A 44 7.020 9.764 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.237 7.143 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.797 7.920 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.678 6.672 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.886 8.385 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.169 8.005 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.201 8.332 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.368 6.235 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.973 5.533 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.206 4.802 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.815 6.296 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.154 6.115 9.091 1.00 0.00 H new ATOM 696 N GLU A 45 8.050 9.953 2.591 1.00 0.00 N ATOM 697 CA GLU A 45 8.847 10.750 1.667 1.00 0.00 C ATOM 698 C GLU A 45 8.183 12.097 1.397 1.00 0.00 C ATOM 699 O GLU A 45 8.818 13.146 1.492 1.00 0.00 O ATOM 700 CB GLU A 45 9.049 9.996 0.350 1.00 0.00 C ATOM 701 CG GLU A 45 10.437 10.171 -0.244 1.00 0.00 C ATOM 702 CD GLU A 45 11.011 8.872 -0.777 1.00 0.00 C ATOM 703 OE1 GLU A 45 10.466 8.346 -1.769 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.004 8.382 -0.201 1.00 0.00 O ATOM 0 H GLU A 45 7.503 9.215 2.148 1.00 0.00 H new ATOM 0 HA GLU A 45 9.818 10.929 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.865 8.935 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.308 10.338 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.393 10.903 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.106 10.574 0.517 1.00 0.00 H new ATOM 711 N GLY A 46 6.897 12.060 1.059 1.00 0.00 N ATOM 712 CA GLY A 46 6.167 13.283 0.781 1.00 0.00 C ATOM 713 C GLY A 46 6.924 14.211 -0.148 1.00 0.00 C ATOM 714 O GLY A 46 7.183 15.366 0.191 1.00 0.00 O ATOM 0 H GLY A 46 6.348 11.205 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.204 13.034 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.961 13.801 1.718 1.00 0.00 H new ATOM 718 N LEU A 47 7.283 13.705 -1.323 1.00 0.00 N ATOM 719 CA LEU A 47 8.018 14.497 -2.304 1.00 0.00 C ATOM 720 C LEU A 47 7.060 15.235 -3.235 1.00 0.00 C ATOM 721 O LEU A 47 7.421 16.250 -3.832 1.00 0.00 O ATOM 722 CB LEU A 47 8.949 13.599 -3.120 1.00 0.00 C ATOM 723 CG LEU A 47 8.278 12.464 -3.895 1.00 0.00 C ATOM 724 CD1 LEU A 47 9.120 12.066 -5.096 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.041 11.266 -2.987 1.00 0.00 C ATOM 0 H LEU A 47 7.077 12.751 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 47 8.614 15.234 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.494 14.223 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.686 13.165 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 47 7.312 12.818 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.626 11.257 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.238 12.924 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.101 11.731 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.563 10.468 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.995 10.912 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.395 11.559 -2.159 1.00 0.00 H new ATOM 737 N GLU A 48 5.841 14.720 -3.351 1.00 0.00 N ATOM 738 CA GLU A 48 4.832 15.333 -4.208 1.00 0.00 C ATOM 739 C GLU A 48 3.662 14.380 -4.437 1.00 0.00 C ATOM 740 O GLU A 48 2.542 14.809 -4.713 1.00 0.00 O ATOM 741 CB GLU A 48 5.447 15.734 -5.550 1.00 0.00 C ATOM 742 CG GLU A 48 6.439 14.719 -6.093 1.00 0.00 C ATOM 743 CD GLU A 48 6.706 14.899 -7.575 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.838 15.288 -7.930 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.782 14.653 -8.379 1.00 0.00 O ATOM 0 H GLU A 48 5.528 13.881 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 48 4.459 16.226 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.648 15.874 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.949 16.695 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.378 14.805 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.058 13.713 -5.916 1.00 0.00 H new ATOM 752 N THR A 49 3.931 13.082 -4.320 1.00 0.00 N ATOM 753 CA THR A 49 2.903 12.069 -4.516 1.00 0.00 C ATOM 754 C THR A 49 1.583 12.495 -3.883 1.00 0.00 C ATOM 755 O THR A 49 0.511 12.069 -4.313 1.00 0.00 O ATOM 756 CB THR A 49 3.330 10.714 -3.922 1.00 0.00 C ATOM 757 OG1 THR A 49 4.592 10.315 -4.469 1.00 0.00 O ATOM 758 CG2 THR A 49 2.286 9.643 -4.208 1.00 0.00 C ATOM 0 H THR A 49 4.852 12.709 -4.091 1.00 0.00 H new ATOM 0 HA THR A 49 2.768 11.960 -5.592 1.00 0.00 H new ATOM 0 HB THR A 49 3.422 10.829 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.463 9.547 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.610 8.695 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.334 9.935 -3.765 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.166 9.531 -5.286 1.00 0.00 H new ATOM 766 N ALA A 50 1.668 13.338 -2.859 1.00 0.00 N ATOM 767 CA ALA A 50 0.480 13.825 -2.169 1.00 0.00 C ATOM 768 C ALA A 50 -0.363 12.665 -1.644 1.00 0.00 C ATOM 769 O ALA A 50 -1.512 12.853 -1.246 1.00 0.00 O ATOM 770 CB ALA A 50 -0.347 14.703 -3.096 1.00 0.00 C ATOM 0 H ALA A 50 2.548 13.698 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 50 0.804 14.421 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.231 15.059 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.251 15.555 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.654 14.124 -3.967 1.00 0.00 H new ATOM 776 N ILE A 51 0.217 11.471 -1.649 1.00 0.00 N ATOM 777 CA ILE A 51 -0.481 10.282 -1.173 1.00 0.00 C ATOM 778 C ILE A 51 -1.971 10.355 -1.493 1.00 0.00 C ATOM 779 O ILE A 51 -2.772 10.800 -0.672 1.00 0.00 O ATOM 780 CB ILE A 51 -0.303 10.095 0.345 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.173 9.872 0.684 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.146 8.929 0.838 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.079 10.979 0.192 1.00 0.00 C ATOM 0 H ILE A 51 1.168 11.300 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.041 9.429 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.640 11.001 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.279 9.780 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.499 8.927 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.009 8.810 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.197 9.124 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.837 8.016 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.110 10.755 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.002 11.057 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.779 11.923 0.646 1.00 0.00 H new ATOM 795 N SER A 52 -2.334 9.911 -2.692 1.00 0.00 N ATOM 796 CA SER A 52 -3.727 9.927 -3.123 1.00 0.00 C ATOM 797 C SER A 52 -4.343 8.534 -3.022 1.00 0.00 C ATOM 798 O SER A 52 -3.632 7.528 -3.010 1.00 0.00 O ATOM 799 CB SER A 52 -3.833 10.441 -4.560 1.00 0.00 C ATOM 800 OG SER A 52 -4.464 9.488 -5.397 1.00 0.00 O ATOM 0 H SER A 52 -1.683 9.536 -3.382 1.00 0.00 H new ATOM 0 HA SER A 52 -4.278 10.598 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.397 11.373 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.838 10.664 -4.944 1.00 0.00 H new ATOM 0 HG SER A 52 -4.521 9.841 -6.309 1.00 0.00 H new ATOM 806 N CYS A 53 -5.669 8.484 -2.950 1.00 0.00 N ATOM 807 CA CYS A 53 -6.382 7.217 -2.849 1.00 0.00 C ATOM 808 C CYS A 53 -5.665 6.125 -3.637 1.00 0.00 C ATOM 809 O CYS A 53 -5.223 6.329 -4.769 1.00 0.00 O ATOM 810 CB CYS A 53 -7.815 7.373 -3.361 1.00 0.00 C ATOM 811 SG CYS A 53 -8.807 5.847 -3.274 1.00 0.00 S ATOM 0 H CYS A 53 -6.271 9.307 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.408 6.925 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.313 8.151 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.784 7.715 -4.395 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.956 6.043 -3.851 1.00 0.00 H new ATOM 816 N PRO A 54 -5.546 4.936 -3.028 1.00 0.00 N ATOM 817 CA PRO A 54 -4.884 3.788 -3.655 1.00 0.00 C ATOM 818 C PRO A 54 -5.688 3.220 -4.820 1.00 0.00 C ATOM 819 O PRO A 54 -5.301 2.220 -5.424 1.00 0.00 O ATOM 820 CB PRO A 54 -4.795 2.767 -2.518 1.00 0.00 C ATOM 821 CG PRO A 54 -5.908 3.127 -1.597 1.00 0.00 C ATOM 822 CD PRO A 54 -6.048 4.621 -1.680 1.00 0.00 C ATOM 0 HA PRO A 54 -3.918 4.057 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.904 1.749 -2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.831 2.820 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.833 2.632 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.688 2.812 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.084 4.935 -1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.466 5.123 -0.907 1.00 0.00 H new ATOM 830 N ASP A 55 -6.808 3.865 -5.129 1.00 0.00 N ATOM 831 CA ASP A 55 -7.665 3.424 -6.223 1.00 0.00 C ATOM 832 C ASP A 55 -7.678 4.451 -7.351 1.00 0.00 C ATOM 833 O ASP A 55 -8.610 5.245 -7.470 1.00 0.00 O ATOM 834 CB ASP A 55 -9.089 3.185 -5.718 1.00 0.00 C ATOM 835 CG ASP A 55 -9.474 1.719 -5.744 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.113 1.256 -4.776 1.00 0.00 O ATOM 837 OD2 ASP A 55 -9.136 1.034 -6.731 1.00 0.00 O ATOM 0 H ASP A 55 -7.143 4.694 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.264 2.488 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.178 3.563 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.789 3.752 -6.331 1.00 0.00 H new ATOM 842 N ALA A 56 -6.636 4.430 -8.176 1.00 0.00 N ATOM 843 CA ALA A 56 -6.528 5.358 -9.294 1.00 0.00 C ATOM 844 C ALA A 56 -7.845 5.455 -10.057 1.00 0.00 C ATOM 845 O ALA A 56 -8.093 6.430 -10.766 1.00 0.00 O ATOM 846 CB ALA A 56 -5.405 4.932 -10.228 1.00 0.00 C ATOM 0 H ALA A 56 -5.855 3.780 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.297 6.345 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.336 5.635 -11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.462 4.922 -9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.611 3.934 -10.614 1.00 0.00 H new ATOM 852 N ALA A 57 -8.687 4.437 -9.906 1.00 0.00 N ATOM 853 CA ALA A 57 -9.978 4.408 -10.580 1.00 0.00 C ATOM 854 C ALA A 57 -11.085 4.925 -9.668 1.00 0.00 C ATOM 855 O ALA A 57 -12.254 4.574 -9.830 1.00 0.00 O ATOM 856 CB ALA A 57 -10.297 2.998 -11.052 1.00 0.00 C ATOM 0 H ALA A 57 -8.497 3.622 -9.323 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.921 5.065 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.265 2.992 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.526 2.664 -11.747 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.329 2.326 -10.195 1.00 0.00 H new ATOM 862 N CYS A 58 -10.710 5.761 -8.705 1.00 0.00 N ATOM 863 CA CYS A 58 -11.670 6.327 -7.765 1.00 0.00 C ATOM 864 C CYS A 58 -12.437 7.483 -8.399 1.00 0.00 C ATOM 865 O CYS A 58 -11.864 8.364 -9.041 1.00 0.00 O ATOM 866 CB CYS A 58 -10.955 6.807 -6.501 1.00 0.00 C ATOM 867 SG CYS A 58 -12.075 7.222 -5.125 1.00 0.00 S ATOM 0 H CYS A 58 -9.747 6.062 -8.555 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.382 5.546 -7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.263 6.032 -6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.357 7.685 -6.746 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.055 6.265 -4.246 1.00 0.00 H new ATOM 872 N PRO A 59 -13.766 7.482 -8.216 1.00 0.00 N ATOM 873 CA PRO A 59 -14.641 8.524 -8.762 1.00 0.00 C ATOM 874 C PRO A 59 -14.447 9.867 -8.066 1.00 0.00 C ATOM 875 O PRO A 59 -14.946 10.894 -8.525 1.00 0.00 O ATOM 876 CB PRO A 59 -16.047 7.981 -8.495 1.00 0.00 C ATOM 877 CG PRO A 59 -15.888 7.069 -7.329 1.00 0.00 C ATOM 878 CD PRO A 59 -14.517 6.465 -7.462 1.00 0.00 C ATOM 0 HA PRO A 59 -14.437 8.718 -9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.747 8.787 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.437 7.449 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.985 7.615 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.657 6.296 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.067 6.273 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.547 5.513 -7.992 1.00 0.00 H new ATOM 886 N LYS A 60 -13.719 9.853 -6.954 1.00 0.00 N ATOM 887 CA LYS A 60 -13.457 11.068 -6.194 1.00 0.00 C ATOM 888 C LYS A 60 -11.958 11.286 -6.016 1.00 0.00 C ATOM 889 O LYS A 60 -11.510 12.405 -5.763 1.00 0.00 O ATOM 890 CB LYS A 60 -14.139 10.997 -4.827 1.00 0.00 C ATOM 891 CG LYS A 60 -15.533 10.395 -4.873 1.00 0.00 C ATOM 892 CD LYS A 60 -16.437 10.999 -3.811 1.00 0.00 C ATOM 893 CE LYS A 60 -17.900 10.935 -4.224 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.725 11.939 -3.497 1.00 0.00 N ATOM 0 H LYS A 60 -13.300 9.011 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.865 11.910 -6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.520 10.407 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.200 12.001 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.969 10.559 -5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.470 9.317 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.300 10.467 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.152 12.036 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.982 11.106 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.289 9.936 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.715 11.864 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.667 11.761 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.370 12.895 -3.703 1.00 0.00 H new ATOM 908 N GLN A 61 -11.188 10.212 -6.150 1.00 0.00 N ATOM 909 CA GLN A 61 -9.739 10.286 -6.003 1.00 0.00 C ATOM 910 C GLN A 61 -9.352 11.320 -4.951 1.00 0.00 C ATOM 911 O GLN A 61 -8.829 12.385 -5.277 1.00 0.00 O ATOM 912 CB GLN A 61 -9.088 10.636 -7.343 1.00 0.00 C ATOM 913 CG GLN A 61 -9.716 9.922 -8.530 1.00 0.00 C ATOM 914 CD GLN A 61 -9.009 10.227 -9.835 1.00 0.00 C ATOM 915 OE1 GLN A 61 -9.459 11.065 -10.617 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.895 9.547 -10.078 1.00 0.00 N ATOM 0 H GLN A 61 -11.543 9.279 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.380 9.310 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.155 11.713 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.028 10.386 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.697 8.847 -8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.763 10.213 -8.612 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.558 8.862 -9.402 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.376 9.710 -10.941 1.00 0.00 H new ATOM 925 N GLY A 62 -9.611 10.998 -3.688 1.00 0.00 N ATOM 926 CA GLY A 62 -9.283 11.908 -2.607 1.00 0.00 C ATOM 927 C GLY A 62 -7.843 11.774 -2.152 1.00 0.00 C ATOM 928 O GLY A 62 -7.256 10.695 -2.238 1.00 0.00 O ATOM 0 H GLY A 62 -10.043 10.122 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.464 12.933 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.946 11.719 -1.763 1.00 0.00 H new ATOM 932 N HIS A 63 -7.273 12.872 -1.668 1.00 0.00 N ATOM 933 CA HIS A 63 -5.891 12.872 -1.199 1.00 0.00 C ATOM 934 C HIS A 63 -5.826 12.583 0.298 1.00 0.00 C ATOM 935 O HIS A 63 -6.821 12.718 1.011 1.00 0.00 O ATOM 936 CB HIS A 63 -5.227 14.216 -1.500 1.00 0.00 C ATOM 937 CG HIS A 63 -5.014 14.465 -2.961 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.917 15.149 -3.748 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.992 14.118 -3.778 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.460 15.211 -4.986 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.293 14.593 -5.030 1.00 0.00 N ATOM 0 H HIS A 63 -7.745 13.773 -1.590 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.354 12.084 -1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.843 15.016 -1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.265 14.259 -0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.105 13.570 -3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.956 15.686 -5.820 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.710 14.486 -5.860 1.00 0.00 H new ATOM 949 N LEU A 64 -4.650 12.183 0.768 1.00 0.00 N ATOM 950 CA LEU A 64 -4.454 11.874 2.180 1.00 0.00 C ATOM 951 C LEU A 64 -3.524 12.888 2.836 1.00 0.00 C ATOM 952 O LEU A 64 -2.851 13.660 2.152 1.00 0.00 O ATOM 953 CB LEU A 64 -3.884 10.464 2.340 1.00 0.00 C ATOM 954 CG LEU A 64 -4.889 9.317 2.228 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.188 8.028 1.830 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.638 9.134 3.542 1.00 0.00 C ATOM 0 H LEU A 64 -3.817 12.065 0.191 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.424 11.925 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.111 10.318 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.396 10.399 3.312 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.611 9.568 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.920 7.224 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.698 8.163 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.443 7.772 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.349 8.314 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.928 8.906 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.174 10.051 3.786 1.00 0.00 H new ATOM 968 N GLN A 65 -3.489 12.880 4.165 1.00 0.00 N ATOM 969 CA GLN A 65 -2.639 13.798 4.913 1.00 0.00 C ATOM 970 C GLN A 65 -1.368 13.101 5.387 1.00 0.00 C ATOM 971 O GLN A 65 -1.266 11.876 5.337 1.00 0.00 O ATOM 972 CB GLN A 65 -3.399 14.369 6.111 1.00 0.00 C ATOM 973 CG GLN A 65 -4.864 13.965 6.151 1.00 0.00 C ATOM 974 CD GLN A 65 -5.075 12.595 6.763 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.162 12.279 7.247 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.034 11.771 6.744 1.00 0.00 N ATOM 0 H GLN A 65 -4.040 12.248 4.746 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.357 14.614 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.914 14.038 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.331 15.457 6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.425 14.704 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.267 13.972 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.151 12.074 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.117 10.835 7.141 1.00 0.00 H new ATOM 985 N GLU A 66 -0.401 13.890 5.845 1.00 0.00 N ATOM 986 CA GLU A 66 0.864 13.346 6.327 1.00 0.00 C ATOM 987 C GLU A 66 0.805 13.083 7.829 1.00 0.00 C ATOM 988 O GLU A 66 1.053 11.968 8.283 1.00 0.00 O ATOM 989 CB GLU A 66 2.011 14.308 6.010 1.00 0.00 C ATOM 990 CG GLU A 66 2.730 13.990 4.710 1.00 0.00 C ATOM 991 CD GLU A 66 2.863 15.200 3.805 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.244 15.200 2.721 1.00 0.00 O ATOM 993 OE2 GLU A 66 3.585 16.146 4.181 1.00 0.00 O ATOM 0 H GLU A 66 -0.469 14.907 5.893 1.00 0.00 H new ATOM 0 HA GLU A 66 1.042 12.399 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.619 15.324 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.730 14.285 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.722 13.598 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.189 13.204 4.183 1.00 0.00 H new ATOM 1000 N ASN A 67 0.477 14.120 8.593 1.00 0.00 N ATOM 1001 CA ASN A 67 0.388 14.002 10.044 1.00 0.00 C ATOM 1002 C ASN A 67 -0.659 12.965 10.442 1.00 0.00 C ATOM 1003 O ASN A 67 -0.370 12.037 11.196 1.00 0.00 O ATOM 1004 CB ASN A 67 0.043 15.356 10.666 1.00 0.00 C ATOM 1005 CG ASN A 67 -1.445 15.520 10.907 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -1.929 15.334 12.023 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -2.179 15.868 9.857 1.00 0.00 N ATOM 0 H ASN A 67 0.269 15.051 8.232 1.00 0.00 H new ATOM 0 HA ASN A 67 1.358 13.675 10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.575 15.465 11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.392 16.153 10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.187 15.991 9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.735 16.012 8.950 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.874 13.132 9.928 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.963 12.211 10.231 1.00 0.00 C ATOM 1016 C GLU A 68 -2.558 10.771 9.924 1.00 0.00 C ATOM 1017 O GLU A 68 -2.614 9.902 10.795 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.212 12.582 9.429 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.337 13.145 10.281 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.308 12.077 10.744 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -6.450 11.897 11.972 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -6.926 11.421 9.880 1.00 0.00 O ATOM 0 H GLU A 68 -2.128 13.895 9.301 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.186 12.290 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.941 13.315 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.573 11.697 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.913 13.647 11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.878 13.900 9.710 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.152 10.527 8.683 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.738 9.194 8.263 1.00 0.00 C ATOM 1031 C ILE A 69 -0.560 8.698 9.093 1.00 0.00 C ATOM 1032 O ILE A 69 -0.669 7.702 9.809 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.349 9.170 6.773 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.602 9.216 5.895 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.523 7.931 6.462 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.597 8.192 4.782 1.00 0.00 C ATOM 0 H ILE A 69 -2.101 11.235 7.951 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.591 8.534 8.418 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.744 10.050 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.480 9.057 6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.696 10.212 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.256 7.928 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.384 7.938 7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.105 7.039 6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.515 8.282 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.738 8.364 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.535 7.191 5.209 1.00 0.00 H new ATOM 1048 N GLU A 70 0.565 9.399 8.994 1.00 0.00 N ATOM 1049 CA GLU A 70 1.763 9.029 9.737 1.00 0.00 C ATOM 1050 C GLU A 70 1.434 8.758 11.202 1.00 0.00 C ATOM 1051 O GLU A 70 2.124 7.992 11.874 1.00 0.00 O ATOM 1052 CB GLU A 70 2.815 10.135 9.635 1.00 0.00 C ATOM 1053 CG GLU A 70 2.650 11.229 10.677 1.00 0.00 C ATOM 1054 CD GLU A 70 3.746 12.276 10.602 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.709 12.071 9.834 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.641 13.297 11.312 1.00 0.00 O ATOM 0 H GLU A 70 0.671 10.226 8.407 1.00 0.00 H new ATOM 0 HA GLU A 70 2.163 8.115 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.806 9.693 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.767 10.581 8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.682 11.711 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.647 10.782 11.671 1.00 0.00 H new ATOM 1063 N CYS A 71 0.373 9.393 11.690 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.048 9.223 13.076 1.00 0.00 C ATOM 1065 C CYS A 71 -0.562 7.808 13.319 1.00 0.00 C ATOM 1066 O CYS A 71 -0.314 7.218 14.370 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.135 10.240 13.428 1.00 0.00 C ATOM 1068 SG CYS A 71 -2.550 9.534 14.305 1.00 0.00 S ATOM 0 H CYS A 71 -0.210 10.029 11.147 1.00 0.00 H new ATOM 0 HA CYS A 71 0.818 9.390 13.716 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.696 11.027 14.042 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.488 10.711 12.510 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.414 10.471 14.560 1.00 0.00 H new ATOM 1074 N MET A 72 -1.279 7.268 12.338 1.00 0.00 N ATOM 1075 CA MET A 72 -1.828 5.921 12.445 1.00 0.00 C ATOM 1076 C MET A 72 -0.758 4.873 12.155 1.00 0.00 C ATOM 1077 O MET A 72 -1.058 3.688 12.012 1.00 0.00 O ATOM 1078 CB MET A 72 -3.003 5.748 11.481 1.00 0.00 C ATOM 1079 CG MET A 72 -2.610 5.129 10.149 1.00 0.00 C ATOM 1080 SD MET A 72 -3.876 5.344 8.884 1.00 0.00 S ATOM 1081 CE MET A 72 -2.984 4.821 7.421 1.00 0.00 C ATOM 0 H MET A 72 -1.493 7.742 11.461 1.00 0.00 H new ATOM 0 HA MET A 72 -2.182 5.780 13.466 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.761 5.123 11.953 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.460 6.721 11.300 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.678 5.578 9.805 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.419 4.065 10.289 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.342 5.381 6.557 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.919 5.007 7.558 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.148 3.756 7.256 1.00 0.00 H new ATOM 1091 N VAL A 73 0.492 5.317 12.070 1.00 0.00 N ATOM 1092 CA VAL A 73 1.606 4.418 11.798 1.00 0.00 C ATOM 1093 C VAL A 73 2.849 4.831 12.577 1.00 0.00 C ATOM 1094 O VAL A 73 3.259 4.153 13.518 1.00 0.00 O ATOM 1095 CB VAL A 73 1.945 4.382 10.296 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.216 3.236 9.611 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.599 5.711 9.640 1.00 0.00 C ATOM 0 H VAL A 73 0.758 6.295 12.186 1.00 0.00 H new ATOM 0 HA VAL A 73 1.294 3.424 12.117 1.00 0.00 H new ATOM 0 HB VAL A 73 3.017 4.216 10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.468 3.227 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.517 2.291 10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.140 3.368 9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.845 5.668 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.534 5.908 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.170 6.510 10.113 1.00 0.00 H new ATOM 1107 N ALA A 74 3.446 5.951 12.180 1.00 0.00 N ATOM 1108 CA ALA A 74 4.640 6.457 12.844 1.00 0.00 C ATOM 1109 C ALA A 74 4.281 7.469 13.926 1.00 0.00 C ATOM 1110 O ALA A 74 4.720 8.618 13.885 1.00 0.00 O ATOM 1111 CB ALA A 74 5.584 7.082 11.827 1.00 0.00 C ATOM 0 H ALA A 74 3.121 6.525 11.402 1.00 0.00 H new ATOM 0 HA ALA A 74 5.142 5.616 13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.472 7.456 12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.876 6.331 11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.081 7.907 11.322 1.00 0.00 H new ATOM 1117 N ALA A 75 3.478 7.036 14.892 1.00 0.00 N ATOM 1118 CA ALA A 75 3.061 7.904 15.986 1.00 0.00 C ATOM 1119 C ALA A 75 4.169 8.879 16.366 1.00 0.00 C ATOM 1120 O ALA A 75 3.881 9.916 16.962 1.00 0.00 O ATOM 1121 CB ALA A 75 2.650 7.073 17.192 1.00 0.00 C ATOM 0 H ALA A 75 3.103 6.089 14.939 1.00 0.00 H new ATOM 0 HA ALA A 75 2.202 8.484 15.649 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.341 7.734 18.001 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.820 6.421 16.919 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.494 6.467 17.521 1.00 0.00 H new