USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=22 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 26 CYS SG : rot 119:sc= -0.296 USER MOD Set 1.2: A 28 CYS SG : rot -179:sc= 1.89 USER MOD Set 1.3: A 53 CYS SG : rot 120:sc= -2.14 USER MOD Set 1.4: A 58 CYS SG : rot 88:sc= -0.19 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0639 USER MOD Set 3.1: A 8 CYS SG : rot -138:sc= 0.118 USER MOD Set 3.2: A 11 CYS SG : rot 53:sc= 1.01 USER MOD Set 3.3: A 15 TYR OH : rot 172:sc= 1.35 USER MOD Set 3.4: A 31 CYS SG : rot -61:sc= -0.838 USER MOD Set 3.5: A 34 CYS SG : rot 86:sc= -0.0194 USER MOD Set 4.1: A 7 SER OG : rot -10:sc= 0.821 USER MOD Set 4.2: A 20 MET CE :methyl -176:sc= -4.54! (180deg=-4.64!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 125:sc= -1.37! USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -3.11! (180deg=-3.75!) USER MOD Single : A 49 THR OG1 : rot -140:sc= -0.967 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= -0.346 K(o=-0.35,f=-2.9!) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -9.86! C(o=-11!,f=-9.9!) USER MOD Single : A 65 GLN :FLIP amide:sc= -9.47! C(o=-15!,f=-9.5!) USER MOD Single : A 67 ASN : amide:sc= -0.474 K(o=-0.47,f=-3.4!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -171:sc= -0.613 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.262 -5.355 1.045 1.00 0.00 N ATOM 92 CA SER A 7 -14.283 -3.901 0.929 1.00 0.00 C ATOM 93 C SER A 7 -13.030 -3.395 0.222 1.00 0.00 C ATOM 94 O SER A 7 -13.102 -2.842 -0.877 1.00 0.00 O ATOM 95 CB SER A 7 -14.396 -3.259 2.313 1.00 0.00 C ATOM 96 OG SER A 7 -14.582 -4.242 3.318 1.00 0.00 O ATOM 0 HA SER A 7 -15.153 -3.621 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.495 -2.684 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.231 -2.559 2.326 1.00 0.00 H new ATOM 0 HG SER A 7 -14.755 -5.111 2.898 1.00 0.00 H new ATOM 102 N CYS A 8 -11.879 -3.586 0.860 1.00 0.00 N ATOM 103 CA CYS A 8 -10.608 -3.149 0.294 1.00 0.00 C ATOM 104 C CYS A 8 -10.460 -3.630 -1.146 1.00 0.00 C ATOM 105 O CYS A 8 -11.026 -4.654 -1.532 1.00 0.00 O ATOM 106 CB CYS A 8 -9.445 -3.669 1.141 1.00 0.00 C ATOM 107 SG CYS A 8 -7.844 -2.886 0.763 1.00 0.00 S ATOM 0 H CYS A 8 -11.801 -4.041 1.770 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.592 -2.059 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.676 -3.509 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.355 -4.745 0.994 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.912 -3.792 0.741 1.00 0.00 H new ATOM 112 N LYS A 9 -9.695 -2.886 -1.937 1.00 0.00 N ATOM 113 CA LYS A 9 -9.469 -3.235 -3.334 1.00 0.00 C ATOM 114 C LYS A 9 -7.977 -3.326 -3.638 1.00 0.00 C ATOM 115 O LYS A 9 -7.579 -3.534 -4.785 1.00 0.00 O ATOM 116 CB LYS A 9 -10.126 -2.202 -4.252 1.00 0.00 C ATOM 117 CG LYS A 9 -11.550 -1.853 -3.856 1.00 0.00 C ATOM 118 CD LYS A 9 -12.141 -0.796 -4.773 1.00 0.00 C ATOM 119 CE LYS A 9 -13.101 0.117 -4.025 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.465 0.097 -4.622 1.00 0.00 N ATOM 0 H LYS A 9 -9.220 -2.036 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.919 -4.211 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.525 -1.293 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.125 -2.583 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.168 -2.750 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.565 -1.493 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.338 -0.202 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.665 -1.280 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.157 -0.192 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.715 1.136 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.089 0.732 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.416 0.416 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.844 -0.871 -4.589 1.00 0.00 H new ATOM 134 N LEU A 10 -7.158 -3.171 -2.604 1.00 0.00 N ATOM 135 CA LEU A 10 -5.708 -3.237 -2.761 1.00 0.00 C ATOM 136 C LEU A 10 -5.203 -4.662 -2.554 1.00 0.00 C ATOM 137 O LEU A 10 -4.097 -5.006 -2.972 1.00 0.00 O ATOM 138 CB LEU A 10 -5.026 -2.292 -1.770 1.00 0.00 C ATOM 139 CG LEU A 10 -5.189 -0.797 -2.046 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.766 0.019 -0.836 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.386 -0.391 -3.274 1.00 0.00 C ATOM 0 H LEU A 10 -7.472 -2.999 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.461 -2.928 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.414 -2.501 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.961 -2.524 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.242 -0.596 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.889 1.080 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.385 -0.252 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.720 -0.186 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.514 0.676 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.331 -0.607 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.738 -0.951 -4.140 1.00 0.00 H new ATOM 153 N CYS A 11 -6.021 -5.487 -1.909 1.00 0.00 N ATOM 154 CA CYS A 11 -5.659 -6.874 -1.648 1.00 0.00 C ATOM 155 C CYS A 11 -6.847 -7.801 -1.891 1.00 0.00 C ATOM 156 O CYS A 11 -6.785 -8.997 -1.600 1.00 0.00 O ATOM 157 CB CYS A 11 -5.160 -7.031 -0.210 1.00 0.00 C ATOM 158 SG CYS A 11 -6.397 -6.603 1.057 1.00 0.00 S ATOM 0 H CYS A 11 -6.940 -5.218 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.859 -7.150 -2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.842 -8.062 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.281 -6.402 -0.071 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.491 -7.271 0.839 1.00 0.00 H new ATOM 163 N LEU A 12 -7.927 -7.242 -2.424 1.00 0.00 N ATOM 164 CA LEU A 12 -9.130 -8.017 -2.707 1.00 0.00 C ATOM 165 C LEU A 12 -9.425 -8.996 -1.574 1.00 0.00 C ATOM 166 O LEU A 12 -9.722 -10.165 -1.812 1.00 0.00 O ATOM 167 CB LEU A 12 -8.973 -8.778 -4.024 1.00 0.00 C ATOM 168 CG LEU A 12 -8.358 -7.992 -5.183 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.733 -8.938 -6.198 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.407 -7.113 -5.847 1.00 0.00 C ATOM 0 H LEU A 12 -7.995 -6.254 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.967 -7.324 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.357 -9.658 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.955 -9.135 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.573 -7.349 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.301 -8.361 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.952 -9.525 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.498 -9.607 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.952 -6.561 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.214 -7.737 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.808 -6.410 -5.117 1.00 0.00 H new ATOM 182 N GLY A 13 -9.344 -8.506 -0.340 1.00 0.00 N ATOM 183 CA GLY A 13 -9.608 -9.350 0.812 1.00 0.00 C ATOM 184 C GLY A 13 -10.989 -9.122 1.392 1.00 0.00 C ATOM 185 O GLY A 13 -11.856 -8.542 0.740 1.00 0.00 O ATOM 0 H GLY A 13 -9.101 -7.541 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.507 -10.396 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.858 -9.157 1.579 1.00 0.00 H new ATOM 189 N GLU A 14 -11.194 -9.581 2.624 1.00 0.00 N ATOM 190 CA GLU A 14 -12.482 -9.425 3.291 1.00 0.00 C ATOM 191 C GLU A 14 -12.292 -9.158 4.782 1.00 0.00 C ATOM 192 O GLU A 14 -11.987 -10.068 5.552 1.00 0.00 O ATOM 193 CB GLU A 14 -13.339 -10.676 3.090 1.00 0.00 C ATOM 194 CG GLU A 14 -12.917 -11.518 1.899 1.00 0.00 C ATOM 195 CD GLU A 14 -13.731 -12.792 1.768 1.00 0.00 C ATOM 196 OE1 GLU A 14 -14.636 -13.006 2.602 1.00 0.00 O ATOM 197 OE2 GLU A 14 -13.462 -13.575 0.833 1.00 0.00 O ATOM 0 H GLU A 14 -10.486 -10.063 3.179 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.992 -8.569 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.292 -11.287 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.379 -10.377 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.021 -10.929 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.862 -11.774 1.995 1.00 0.00 H new ATOM 204 N TYR A 15 -12.476 -7.904 5.180 1.00 0.00 N ATOM 205 CA TYR A 15 -12.323 -7.516 6.577 1.00 0.00 C ATOM 206 C TYR A 15 -13.476 -6.623 7.023 1.00 0.00 C ATOM 207 O TYR A 15 -14.091 -5.913 6.227 1.00 0.00 O ATOM 208 CB TYR A 15 -10.992 -6.790 6.784 1.00 0.00 C ATOM 209 CG TYR A 15 -9.898 -7.253 5.848 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.007 -8.250 6.229 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.754 -6.694 4.585 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.006 -8.676 5.377 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.758 -7.115 3.727 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.886 -8.106 4.128 1.00 0.00 C ATOM 215 OH TYR A 15 -6.890 -8.527 3.276 1.00 0.00 O ATOM 0 H TYR A 15 -12.731 -7.139 4.555 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.333 -8.422 7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.146 -5.720 6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.664 -6.936 7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -9.099 -8.699 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.433 -5.916 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.322 -9.451 5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.662 -6.671 2.747 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.021 -8.121 2.394 1.00 0.00 H new ATOM 225 N PRO A 16 -13.777 -6.656 8.330 1.00 0.00 N ATOM 226 CA PRO A 16 -14.858 -5.856 8.914 1.00 0.00 C ATOM 227 C PRO A 16 -14.533 -4.366 8.928 1.00 0.00 C ATOM 228 O PRO A 16 -13.366 -3.975 8.921 1.00 0.00 O ATOM 229 CB PRO A 16 -14.964 -6.393 10.344 1.00 0.00 C ATOM 230 CG PRO A 16 -13.613 -6.947 10.642 1.00 0.00 C ATOM 231 CD PRO A 16 -13.087 -7.479 9.338 1.00 0.00 C ATOM 0 HA PRO A 16 -15.782 -5.941 8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.231 -5.602 11.045 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.733 -7.161 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.955 -6.176 11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.672 -7.737 11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.004 -7.375 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.314 -8.538 9.215 1.00 0.00 H new ATOM 239 N VAL A 17 -15.573 -3.539 8.949 1.00 0.00 N ATOM 240 CA VAL A 17 -15.398 -2.092 8.965 1.00 0.00 C ATOM 241 C VAL A 17 -14.737 -1.633 10.259 1.00 0.00 C ATOM 242 O VAL A 17 -14.268 -0.499 10.360 1.00 0.00 O ATOM 243 CB VAL A 17 -16.744 -1.362 8.803 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.166 -0.719 10.115 1.00 0.00 C ATOM 245 CG2 VAL A 17 -16.656 -0.322 7.695 1.00 0.00 C ATOM 0 H VAL A 17 -16.546 -3.846 8.955 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.754 -1.842 8.122 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.502 -2.094 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.119 -0.208 9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.272 -1.488 10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.410 0.001 10.427 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.616 0.184 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -15.885 0.408 7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.404 -0.812 6.755 1.00 0.00 H new ATOM 255 N GLU A 18 -14.703 -2.521 11.248 1.00 0.00 N ATOM 256 CA GLU A 18 -14.099 -2.205 12.537 1.00 0.00 C ATOM 257 C GLU A 18 -12.624 -2.597 12.557 1.00 0.00 C ATOM 258 O GLU A 18 -12.022 -2.728 13.622 1.00 0.00 O ATOM 259 CB GLU A 18 -14.844 -2.924 13.664 1.00 0.00 C ATOM 260 CG GLU A 18 -16.326 -2.592 13.723 1.00 0.00 C ATOM 261 CD GLU A 18 -16.761 -2.105 15.091 1.00 0.00 C ATOM 262 OE1 GLU A 18 -15.915 -1.537 15.815 1.00 0.00 O ATOM 263 OE2 GLU A 18 -17.945 -2.291 15.439 1.00 0.00 O ATOM 0 H GLU A 18 -15.086 -3.464 11.181 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.174 -1.128 12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.726 -4.000 13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.384 -2.663 14.617 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.553 -1.827 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.904 -3.477 13.456 1.00 0.00 H new ATOM 270 N GLN A 19 -12.051 -2.783 11.372 1.00 0.00 N ATOM 271 CA GLN A 19 -10.648 -3.161 11.254 1.00 0.00 C ATOM 272 C GLN A 19 -10.011 -2.514 10.029 1.00 0.00 C ATOM 273 O GLN A 19 -8.999 -2.990 9.518 1.00 0.00 O ATOM 274 CB GLN A 19 -10.513 -4.681 11.170 1.00 0.00 C ATOM 275 CG GLN A 19 -10.681 -5.383 12.508 1.00 0.00 C ATOM 276 CD GLN A 19 -9.839 -6.638 12.619 1.00 0.00 C ATOM 277 OE1 GLN A 19 -9.011 -6.923 11.753 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.045 -7.397 13.689 1.00 0.00 N ATOM 0 H GLN A 19 -12.536 -2.678 10.481 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.126 -2.806 12.143 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.257 -5.065 10.472 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.534 -4.928 10.760 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.410 -4.697 13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.731 -5.641 12.649 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.741 -7.123 14.382 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.507 -8.254 13.818 1.00 0.00 H new ATOM 287 N MET A 20 -10.613 -1.424 9.561 1.00 0.00 N ATOM 288 CA MET A 20 -10.103 -0.711 8.396 1.00 0.00 C ATOM 289 C MET A 20 -9.989 0.783 8.680 1.00 0.00 C ATOM 290 O MET A 20 -10.293 1.243 9.782 1.00 0.00 O ATOM 291 CB MET A 20 -11.016 -0.944 7.190 1.00 0.00 C ATOM 292 CG MET A 20 -11.577 -2.355 7.115 1.00 0.00 C ATOM 293 SD MET A 20 -11.021 -3.247 5.650 1.00 0.00 S ATOM 294 CE MET A 20 -11.888 -2.354 4.362 1.00 0.00 C ATOM 0 H MET A 20 -11.453 -1.016 9.971 1.00 0.00 H new ATOM 0 HA MET A 20 -9.109 -1.097 8.171 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.843 -0.235 7.228 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.459 -0.735 6.277 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.280 -2.908 8.006 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.666 -2.309 7.116 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.703 -2.832 3.400 1.00 0.00 H new ATOM 0 HE2 MET A 20 -12.958 -2.362 4.571 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.532 -1.324 4.330 1.00 0.00 H new ATOM 304 N THR A 21 -9.550 1.540 7.679 1.00 0.00 N ATOM 305 CA THR A 21 -9.394 2.982 7.822 1.00 0.00 C ATOM 306 C THR A 21 -9.896 3.715 6.583 1.00 0.00 C ATOM 307 O THR A 21 -9.746 3.233 5.460 1.00 0.00 O ATOM 308 CB THR A 21 -7.923 3.366 8.071 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.525 2.956 9.384 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.723 4.867 7.920 1.00 0.00 C ATOM 0 H THR A 21 -9.296 1.178 6.760 1.00 0.00 H new ATOM 0 HA THR A 21 -9.991 3.280 8.684 1.00 0.00 H new ATOM 0 HB THR A 21 -7.307 2.857 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.588 3.202 9.534 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.677 5.115 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.999 5.171 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.350 5.392 8.641 1.00 0.00 H new ATOM 318 N THR A 22 -10.493 4.884 6.794 1.00 0.00 N ATOM 319 CA THR A 22 -11.018 5.683 5.694 1.00 0.00 C ATOM 320 C THR A 22 -9.956 6.629 5.147 1.00 0.00 C ATOM 321 O THR A 22 -8.959 6.910 5.812 1.00 0.00 O ATOM 322 CB THR A 22 -12.244 6.505 6.132 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.366 5.640 6.338 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.592 7.556 5.089 1.00 0.00 C ATOM 0 H THR A 22 -10.625 5.298 7.717 1.00 0.00 H new ATOM 0 HA THR A 22 -11.318 4.986 4.912 1.00 0.00 H new ATOM 0 HB THR A 22 -12.000 7.011 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.141 6.171 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.461 8.124 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.746 8.231 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.818 7.067 4.141 1.00 0.00 H new ATOM 332 N ILE A 23 -10.175 7.119 3.931 1.00 0.00 N ATOM 333 CA ILE A 23 -9.238 8.035 3.296 1.00 0.00 C ATOM 334 C ILE A 23 -9.213 9.381 4.012 1.00 0.00 C ATOM 335 O ILE A 23 -8.389 9.610 4.897 1.00 0.00 O ATOM 336 CB ILE A 23 -9.588 8.262 1.813 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.357 6.981 1.009 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.765 9.407 1.242 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.899 6.601 0.885 1.00 0.00 C ATOM 0 H ILE A 23 -10.995 6.896 3.366 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.253 7.573 3.362 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.643 8.528 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.899 6.162 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.777 7.107 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.024 9.554 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.975 10.320 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.704 9.169 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.810 5.684 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.355 7.402 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.479 6.443 1.878 1.00 0.00 H new ATOM 351 N ALA A 24 -10.123 10.269 3.625 1.00 0.00 N ATOM 352 CA ALA A 24 -10.208 11.590 4.232 1.00 0.00 C ATOM 353 C ALA A 24 -11.000 12.551 3.351 1.00 0.00 C ATOM 354 O ALA A 24 -11.781 13.362 3.846 1.00 0.00 O ATOM 355 CB ALA A 24 -8.814 12.142 4.497 1.00 0.00 C ATOM 0 H ALA A 24 -10.812 10.096 2.893 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.734 11.491 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.894 13.130 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.281 11.474 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.268 12.218 3.557 1.00 0.00 H new ATOM 361 N GLN A 25 -10.791 12.453 2.041 1.00 0.00 N ATOM 362 CA GLN A 25 -11.485 13.314 1.091 1.00 0.00 C ATOM 363 C GLN A 25 -12.633 12.569 0.419 1.00 0.00 C ATOM 364 O GLN A 25 -13.780 13.015 0.453 1.00 0.00 O ATOM 365 CB GLN A 25 -10.508 13.833 0.034 1.00 0.00 C ATOM 366 CG GLN A 25 -10.147 15.299 0.206 1.00 0.00 C ATOM 367 CD GLN A 25 -9.733 15.636 1.624 1.00 0.00 C ATOM 368 OE1 GLN A 25 -10.576 15.833 2.500 1.00 0.00 O ATOM 369 NE2 GLN A 25 -8.428 15.703 1.861 1.00 0.00 N ATOM 0 H GLN A 25 -10.147 11.787 1.615 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.898 14.160 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.596 13.236 0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.945 13.689 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.334 15.551 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.001 15.915 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.763 15.533 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.090 15.925 2.798 1.00 0.00 H new ATOM 378 N CYS A 26 -12.316 11.433 -0.193 1.00 0.00 N ATOM 379 CA CYS A 26 -13.321 10.625 -0.874 1.00 0.00 C ATOM 380 C CYS A 26 -14.100 9.771 0.122 1.00 0.00 C ATOM 381 O CYS A 26 -15.261 9.433 -0.110 1.00 0.00 O ATOM 382 CB CYS A 26 -12.659 9.729 -1.923 1.00 0.00 C ATOM 383 SG CYS A 26 -11.208 8.814 -1.309 1.00 0.00 S ATOM 0 H CYS A 26 -11.371 11.051 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.019 11.300 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.395 9.016 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.356 10.343 -2.771 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.431 7.536 -1.397 1.00 0.00 H new ATOM 388 N GLN A 27 -13.453 9.427 1.231 1.00 0.00 N ATOM 389 CA GLN A 27 -14.086 8.613 2.262 1.00 0.00 C ATOM 390 C GLN A 27 -14.194 7.158 1.817 1.00 0.00 C ATOM 391 O GLN A 27 -15.255 6.543 1.920 1.00 0.00 O ATOM 392 CB GLN A 27 -15.474 9.162 2.595 1.00 0.00 C ATOM 393 CG GLN A 27 -15.534 10.680 2.643 1.00 0.00 C ATOM 394 CD GLN A 27 -15.739 11.211 4.047 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.777 10.976 4.667 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.748 11.932 4.559 1.00 0.00 N ATOM 0 H GLN A 27 -12.492 9.699 1.438 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.463 8.655 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.185 8.802 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.791 8.764 3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.610 11.089 2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.346 11.028 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.905 12.103 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.830 12.315 5.501 1.00 0.00 H new ATOM 405 N CYS A 28 -13.088 6.613 1.321 1.00 0.00 N ATOM 406 CA CYS A 28 -13.058 5.231 0.858 1.00 0.00 C ATOM 407 C CYS A 28 -12.743 4.279 2.009 1.00 0.00 C ATOM 408 O CYS A 28 -12.649 4.695 3.164 1.00 0.00 O ATOM 409 CB CYS A 28 -12.020 5.065 -0.254 1.00 0.00 C ATOM 410 SG CYS A 28 -12.540 5.743 -1.863 1.00 0.00 S ATOM 0 H CYS A 28 -12.201 7.108 1.229 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.044 4.985 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.094 5.553 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.797 4.005 -0.373 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.605 5.538 -2.743 1.00 0.00 H new ATOM 415 N ILE A 29 -12.580 3.001 1.684 1.00 0.00 N ATOM 416 CA ILE A 29 -12.274 1.991 2.689 1.00 0.00 C ATOM 417 C ILE A 29 -11.123 1.097 2.238 1.00 0.00 C ATOM 418 O ILE A 29 -11.159 0.521 1.152 1.00 0.00 O ATOM 419 CB ILE A 29 -13.501 1.112 2.997 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.661 0.931 4.507 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.372 -0.237 2.307 1.00 0.00 C ATOM 422 CD1 ILE A 29 -15.050 0.500 4.921 1.00 0.00 C ATOM 0 H ILE A 29 -12.655 2.641 0.733 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.984 2.525 3.594 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.392 1.611 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.941 0.190 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.417 1.870 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.246 -0.847 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.303 -0.089 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.474 -0.743 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.089 0.391 6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.773 1.252 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.290 -0.454 4.452 1.00 0.00 H new ATOM 434 N PHE A 30 -10.102 0.986 3.083 1.00 0.00 N ATOM 435 CA PHE A 30 -8.941 0.161 2.771 1.00 0.00 C ATOM 436 C PHE A 30 -8.272 -0.340 4.048 1.00 0.00 C ATOM 437 O PHE A 30 -8.035 0.429 4.982 1.00 0.00 O ATOM 438 CB PHE A 30 -7.936 0.954 1.934 1.00 0.00 C ATOM 439 CG PHE A 30 -8.478 1.391 0.603 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.876 2.703 0.399 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.589 0.491 -0.444 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.376 3.109 -0.825 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.086 0.891 -1.670 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.481 2.201 -1.860 1.00 0.00 C ATOM 0 H PHE A 30 -10.056 1.456 3.987 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.282 -0.701 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.621 1.833 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.047 0.344 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.795 3.417 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.284 -0.535 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.684 4.134 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.166 0.180 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.871 2.515 -2.817 1.00 0.00 H new ATOM 454 N CYS A 31 -7.971 -1.633 4.083 1.00 0.00 N ATOM 455 CA CYS A 31 -7.330 -2.239 5.244 1.00 0.00 C ATOM 456 C CYS A 31 -6.017 -1.533 5.572 1.00 0.00 C ATOM 457 O CYS A 31 -5.135 -1.413 4.722 1.00 0.00 O ATOM 458 CB CYS A 31 -7.073 -3.726 4.993 1.00 0.00 C ATOM 459 SG CYS A 31 -5.677 -4.060 3.872 1.00 0.00 S ATOM 0 H CYS A 31 -8.161 -2.283 3.320 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.002 -2.132 6.095 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.884 -4.217 5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.975 -4.174 4.576 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.922 -3.539 2.706 1.00 0.00 H new ATOM 464 N THR A 32 -5.896 -1.067 6.811 1.00 0.00 N ATOM 465 CA THR A 32 -4.693 -0.373 7.251 1.00 0.00 C ATOM 466 C THR A 32 -3.442 -1.003 6.650 1.00 0.00 C ATOM 467 O THR A 32 -2.584 -0.307 6.106 1.00 0.00 O ATOM 468 CB THR A 32 -4.570 -0.382 8.788 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.871 -0.335 9.383 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.743 0.801 9.271 1.00 0.00 C ATOM 0 H THR A 32 -6.617 -1.158 7.527 1.00 0.00 H new ATOM 0 HA THR A 32 -4.779 0.657 6.905 1.00 0.00 H new ATOM 0 HB THR A 32 -4.068 -1.302 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.785 -0.343 10.359 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.670 0.774 10.358 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.744 0.747 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.222 1.730 8.963 1.00 0.00 H new ATOM 478 N LEU A 33 -3.345 -2.324 6.750 1.00 0.00 N ATOM 479 CA LEU A 33 -2.198 -3.050 6.213 1.00 0.00 C ATOM 480 C LEU A 33 -1.838 -2.545 4.820 1.00 0.00 C ATOM 481 O LEU A 33 -0.664 -2.349 4.503 1.00 0.00 O ATOM 482 CB LEU A 33 -2.496 -4.549 6.164 1.00 0.00 C ATOM 483 CG LEU A 33 -2.339 -5.308 7.482 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.413 -6.377 7.613 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.953 -5.928 7.579 1.00 0.00 C ATOM 0 H LEU A 33 -4.046 -2.915 7.198 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.348 -2.877 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.518 -4.685 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.839 -5.006 5.424 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.457 -4.600 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.286 -6.907 8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.397 -5.909 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.327 -7.082 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.859 -6.464 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.806 -6.622 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.199 -5.142 7.532 1.00 0.00 H new ATOM 497 N CYS A 34 -2.855 -2.332 3.992 1.00 0.00 N ATOM 498 CA CYS A 34 -2.646 -1.849 2.632 1.00 0.00 C ATOM 499 C CYS A 34 -2.345 -0.352 2.628 1.00 0.00 C ATOM 500 O CYS A 34 -1.267 0.073 2.211 1.00 0.00 O ATOM 501 CB CYS A 34 -3.880 -2.134 1.772 1.00 0.00 C ATOM 502 SG CYS A 34 -3.983 -3.849 1.167 1.00 0.00 S ATOM 0 H CYS A 34 -3.833 -2.486 4.239 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.789 -2.376 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.775 -1.911 2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.878 -1.458 0.917 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.550 -4.594 2.069 1.00 0.00 H new ATOM 507 N LEU A 35 -3.302 0.439 3.096 1.00 0.00 N ATOM 508 CA LEU A 35 -3.140 1.889 3.146 1.00 0.00 C ATOM 509 C LEU A 35 -1.923 2.271 3.982 1.00 0.00 C ATOM 510 O LEU A 35 -1.487 3.423 3.974 1.00 0.00 O ATOM 511 CB LEU A 35 -4.397 2.542 3.725 1.00 0.00 C ATOM 512 CG LEU A 35 -4.707 3.955 3.230 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.308 3.911 1.833 1.00 0.00 C ATOM 514 CD2 LEU A 35 -5.647 4.664 4.194 1.00 0.00 C ATOM 0 H LEU A 35 -4.199 0.102 3.447 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.987 2.249 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.251 1.904 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.300 2.572 4.810 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.774 4.516 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.522 4.926 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.601 3.443 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.232 3.333 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.856 5.668 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.579 4.104 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.180 4.728 5.177 1.00 0.00 H new ATOM 526 N LYS A 36 -1.376 1.298 4.702 1.00 0.00 N ATOM 527 CA LYS A 36 -0.207 1.530 5.541 1.00 0.00 C ATOM 528 C LYS A 36 1.080 1.253 4.770 1.00 0.00 C ATOM 529 O LYS A 36 1.908 2.145 4.589 1.00 0.00 O ATOM 530 CB LYS A 36 -0.265 0.645 6.789 1.00 0.00 C ATOM 531 CG LYS A 36 0.969 0.753 7.668 1.00 0.00 C ATOM 532 CD LYS A 36 1.381 -0.603 8.218 1.00 0.00 C ATOM 533 CE LYS A 36 1.638 -0.542 9.715 1.00 0.00 C ATOM 534 NZ LYS A 36 2.693 -1.505 10.137 1.00 0.00 N ATOM 0 H LYS A 36 -1.724 0.340 4.721 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.211 2.577 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.143 0.915 7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.393 -0.393 6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.791 1.178 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.770 1.437 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.599 -1.334 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.281 -0.946 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.938 0.469 9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.714 -0.758 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.839 -1.432 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.396 -2.472 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.582 -1.284 9.645 1.00 0.00 H new ATOM 548 N GLN A 37 1.239 0.014 4.316 1.00 0.00 N ATOM 549 CA GLN A 37 2.424 -0.377 3.563 1.00 0.00 C ATOM 550 C GLN A 37 2.601 0.502 2.330 1.00 0.00 C ATOM 551 O GLN A 37 3.651 0.486 1.689 1.00 0.00 O ATOM 552 CB GLN A 37 2.328 -1.846 3.147 1.00 0.00 C ATOM 553 CG GLN A 37 3.539 -2.673 3.548 1.00 0.00 C ATOM 554 CD GLN A 37 3.174 -3.851 4.430 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.137 -4.995 3.975 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.903 -3.578 5.701 1.00 0.00 N ATOM 0 H GLN A 37 0.562 -0.736 4.457 1.00 0.00 H new ATOM 0 HA GLN A 37 3.293 -0.245 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.435 -2.284 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.203 -1.901 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.039 -3.037 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.251 -2.037 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.946 -2.616 6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.652 -4.331 6.342 1.00 0.00 H new ATOM 565 N TYR A 38 1.566 1.269 2.003 1.00 0.00 N ATOM 566 CA TYR A 38 1.607 2.153 0.845 1.00 0.00 C ATOM 567 C TYR A 38 1.987 3.572 1.256 1.00 0.00 C ATOM 568 O TYR A 38 2.907 4.169 0.695 1.00 0.00 O ATOM 569 CB TYR A 38 0.251 2.162 0.136 1.00 0.00 C ATOM 570 CG TYR A 38 -0.148 3.522 -0.391 1.00 0.00 C ATOM 571 CD1 TYR A 38 0.623 4.173 -1.345 1.00 0.00 C ATOM 572 CD2 TYR A 38 -1.296 4.157 0.066 1.00 0.00 C ATOM 573 CE1 TYR A 38 0.264 5.415 -1.829 1.00 0.00 C ATOM 574 CE2 TYR A 38 -1.665 5.398 -0.413 1.00 0.00 C ATOM 575 CZ TYR A 38 -0.883 6.024 -1.360 1.00 0.00 C ATOM 576 OH TYR A 38 -1.246 7.262 -1.839 1.00 0.00 O ATOM 0 H TYR A 38 0.689 1.296 2.524 1.00 0.00 H new ATOM 0 HA TYR A 38 2.366 1.777 0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.279 1.455 -0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.514 1.811 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.520 3.699 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.911 3.671 0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.877 5.907 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.562 5.876 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.162 7.223 -2.186 1.00 0.00 H new ATOM 586 N VAL A 39 1.272 4.108 2.240 1.00 0.00 N ATOM 587 CA VAL A 39 1.534 5.456 2.730 1.00 0.00 C ATOM 588 C VAL A 39 2.791 5.494 3.592 1.00 0.00 C ATOM 589 O VAL A 39 3.656 6.349 3.407 1.00 0.00 O ATOM 590 CB VAL A 39 0.348 5.997 3.549 1.00 0.00 C ATOM 591 CG1 VAL A 39 -0.968 5.702 2.844 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.354 5.404 4.951 1.00 0.00 C ATOM 0 H VAL A 39 0.506 3.629 2.714 1.00 0.00 H new ATOM 0 HA VAL A 39 1.679 6.087 1.853 1.00 0.00 H new ATOM 0 HB VAL A 39 0.453 7.079 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.794 6.092 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.970 6.178 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.083 4.625 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.491 5.797 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.274 4.319 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.283 5.671 5.455 1.00 0.00 H new ATOM 602 N GLU A 40 2.886 4.559 4.532 1.00 0.00 N ATOM 603 CA GLU A 40 4.038 4.486 5.423 1.00 0.00 C ATOM 604 C GLU A 40 5.334 4.730 4.656 1.00 0.00 C ATOM 605 O GLU A 40 6.257 5.371 5.161 1.00 0.00 O ATOM 606 CB GLU A 40 4.091 3.122 6.113 1.00 0.00 C ATOM 607 CG GLU A 40 4.869 3.130 7.419 1.00 0.00 C ATOM 608 CD GLU A 40 6.114 2.267 7.363 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.382 1.549 8.348 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.819 2.310 6.333 1.00 0.00 O ATOM 0 H GLU A 40 2.179 3.842 4.696 1.00 0.00 H new ATOM 0 HA GLU A 40 3.931 5.264 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.074 2.783 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.543 2.398 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.152 4.154 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.224 2.778 8.224 1.00 0.00 H new ATOM 617 N LEU A 41 5.398 4.214 3.433 1.00 0.00 N ATOM 618 CA LEU A 41 6.581 4.374 2.595 1.00 0.00 C ATOM 619 C LEU A 41 6.652 5.784 2.018 1.00 0.00 C ATOM 620 O LEU A 41 7.738 6.322 1.794 1.00 0.00 O ATOM 621 CB LEU A 41 6.571 3.348 1.462 1.00 0.00 C ATOM 622 CG LEU A 41 6.981 1.924 1.841 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.484 1.844 2.063 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.232 1.467 3.085 1.00 0.00 C ATOM 0 H LEU A 41 4.644 3.681 3.000 1.00 0.00 H new ATOM 0 HA LEU A 41 7.461 4.210 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.567 3.315 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.238 3.699 0.675 1.00 0.00 H new ATOM 0 HG LEU A 41 6.719 1.259 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.758 0.824 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.003 2.130 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.769 2.521 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.536 0.452 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.464 2.135 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.159 1.487 2.892 1.00 0.00 H new ATOM 636 N LEU A 42 5.489 6.381 1.782 1.00 0.00 N ATOM 637 CA LEU A 42 5.419 7.731 1.234 1.00 0.00 C ATOM 638 C LEU A 42 5.436 8.773 2.347 1.00 0.00 C ATOM 639 O LEU A 42 6.370 9.568 2.452 1.00 0.00 O ATOM 640 CB LEU A 42 4.156 7.894 0.386 1.00 0.00 C ATOM 641 CG LEU A 42 4.084 7.043 -0.883 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.665 6.546 -1.113 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.574 7.837 -2.084 1.00 0.00 C ATOM 0 H LEU A 42 4.581 5.951 1.962 1.00 0.00 H new ATOM 0 HA LEU A 42 6.295 7.886 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.292 7.657 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.066 8.942 0.102 1.00 0.00 H new ATOM 0 HG LEU A 42 4.733 6.177 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.633 5.943 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.349 5.941 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.994 7.398 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.516 7.217 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.950 8.721 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.607 8.143 -1.921 1.00 0.00 H new ATOM 655 N ILE A 43 4.398 8.761 3.177 1.00 0.00 N ATOM 656 CA ILE A 43 4.296 9.703 4.286 1.00 0.00 C ATOM 657 C ILE A 43 5.659 9.950 4.925 1.00 0.00 C ATOM 658 O ILE A 43 5.920 11.028 5.459 1.00 0.00 O ATOM 659 CB ILE A 43 3.319 9.198 5.364 1.00 0.00 C ATOM 660 CG1 ILE A 43 2.051 10.055 5.375 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.986 9.214 6.731 1.00 0.00 C ATOM 662 CD1 ILE A 43 1.217 9.916 4.121 1.00 0.00 C ATOM 0 H ILE A 43 3.616 8.110 3.103 1.00 0.00 H new ATOM 0 HA ILE A 43 3.917 10.638 3.873 1.00 0.00 H new ATOM 0 HB ILE A 43 3.040 8.171 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.444 9.780 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.330 11.101 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.283 8.855 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.863 8.567 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.290 10.232 6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.335 10.551 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.807 10.219 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.907 8.878 4.003 1.00 0.00 H new ATOM 674 N LYS A 44 6.525 8.944 4.865 1.00 0.00 N ATOM 675 CA LYS A 44 7.863 9.051 5.434 1.00 0.00 C ATOM 676 C LYS A 44 8.789 9.828 4.504 1.00 0.00 C ATOM 677 O LYS A 44 9.569 10.668 4.952 1.00 0.00 O ATOM 678 CB LYS A 44 8.439 7.659 5.700 1.00 0.00 C ATOM 679 CG LYS A 44 8.527 7.309 7.176 1.00 0.00 C ATOM 680 CD LYS A 44 7.189 7.488 7.872 1.00 0.00 C ATOM 681 CE LYS A 44 6.350 6.222 7.803 1.00 0.00 C ATOM 682 NZ LYS A 44 5.852 5.812 9.145 1.00 0.00 N ATOM 0 H LYS A 44 6.324 8.045 4.428 1.00 0.00 H new ATOM 0 HA LYS A 44 7.788 9.592 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.821 6.917 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.434 7.597 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.861 6.277 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.275 7.939 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.354 7.760 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.645 8.312 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.504 6.383 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.945 5.415 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.684 4.786 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.561 6.053 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.963 6.310 9.353 1.00 0.00 H new ATOM 696 N GLU A 45 8.697 9.541 3.209 1.00 0.00 N ATOM 697 CA GLU A 45 9.528 10.214 2.218 1.00 0.00 C ATOM 698 C GLU A 45 9.102 11.670 2.049 1.00 0.00 C ATOM 699 O GLU A 45 9.939 12.562 1.921 1.00 0.00 O ATOM 700 CB GLU A 45 9.444 9.488 0.874 1.00 0.00 C ATOM 701 CG GLU A 45 10.801 9.122 0.295 1.00 0.00 C ATOM 702 CD GLU A 45 11.073 7.631 0.345 1.00 0.00 C ATOM 703 OE1 GLU A 45 11.456 7.134 1.425 1.00 0.00 O ATOM 704 OE2 GLU A 45 10.905 6.960 -0.695 1.00 0.00 O ATOM 0 H GLU A 45 8.056 8.848 2.822 1.00 0.00 H new ATOM 0 HA GLU A 45 10.559 10.194 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.854 8.580 0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.913 10.119 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.855 9.463 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.581 9.649 0.845 1.00 0.00 H new ATOM 711 N GLY A 46 7.793 11.901 2.049 1.00 0.00 N ATOM 712 CA GLY A 46 7.277 13.249 1.895 1.00 0.00 C ATOM 713 C GLY A 46 7.970 14.010 0.781 1.00 0.00 C ATOM 714 O GLY A 46 8.685 14.981 1.033 1.00 0.00 O ATOM 0 H GLY A 46 7.080 11.179 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.207 13.204 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.400 13.791 2.833 1.00 0.00 H new ATOM 718 N LEU A 47 7.759 13.569 -0.454 1.00 0.00 N ATOM 719 CA LEU A 47 8.370 14.214 -1.612 1.00 0.00 C ATOM 720 C LEU A 47 7.363 15.107 -2.331 1.00 0.00 C ATOM 721 O LEU A 47 7.689 16.222 -2.737 1.00 0.00 O ATOM 722 CB LEU A 47 8.916 13.161 -2.577 1.00 0.00 C ATOM 723 CG LEU A 47 7.879 12.251 -3.236 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.463 11.581 -4.469 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.379 11.208 -2.245 1.00 0.00 C ATOM 0 H LEU A 47 7.170 12.768 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 47 9.193 14.836 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.473 13.671 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.627 12.536 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 47 7.032 12.863 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.710 10.937 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.771 12.343 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.327 10.982 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.642 10.569 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.217 10.600 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.920 11.707 -1.392 1.00 0.00 H new ATOM 737 N GLU A 48 6.140 14.609 -2.481 1.00 0.00 N ATOM 738 CA GLU A 48 5.086 15.363 -3.151 1.00 0.00 C ATOM 739 C GLU A 48 3.929 14.449 -3.544 1.00 0.00 C ATOM 740 O GLU A 48 2.801 14.904 -3.737 1.00 0.00 O ATOM 741 CB GLU A 48 5.640 16.066 -4.392 1.00 0.00 C ATOM 742 CG GLU A 48 6.641 15.227 -5.170 1.00 0.00 C ATOM 743 CD GLU A 48 6.630 15.536 -6.654 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.705 15.448 -7.285 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.549 15.865 -7.185 1.00 0.00 O ATOM 0 H GLU A 48 5.854 13.688 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 48 4.713 16.114 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.812 16.331 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.117 16.998 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.641 15.401 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.418 14.171 -5.021 1.00 0.00 H new ATOM 752 N THR A 49 4.217 13.158 -3.663 1.00 0.00 N ATOM 753 CA THR A 49 3.203 12.180 -4.035 1.00 0.00 C ATOM 754 C THR A 49 1.842 12.553 -3.460 1.00 0.00 C ATOM 755 O THR A 49 0.805 12.276 -4.063 1.00 0.00 O ATOM 756 CB THR A 49 3.581 10.766 -3.552 1.00 0.00 C ATOM 757 OG1 THR A 49 4.862 10.397 -4.076 1.00 0.00 O ATOM 758 CG2 THR A 49 2.538 9.749 -3.987 1.00 0.00 C ATOM 0 H THR A 49 5.145 12.765 -3.507 1.00 0.00 H new ATOM 0 HA THR A 49 3.148 12.182 -5.124 1.00 0.00 H new ATOM 0 HB THR A 49 3.623 10.776 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.847 9.454 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.826 8.759 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.570 10.017 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.469 9.741 -5.075 1.00 0.00 H new ATOM 766 N ALA A 50 1.852 13.183 -2.289 1.00 0.00 N ATOM 767 CA ALA A 50 0.617 13.596 -1.634 1.00 0.00 C ATOM 768 C ALA A 50 -0.232 12.389 -1.251 1.00 0.00 C ATOM 769 O ALA A 50 -1.355 12.537 -0.768 1.00 0.00 O ATOM 770 CB ALA A 50 -0.172 14.533 -2.537 1.00 0.00 C ATOM 0 H ALA A 50 2.701 13.418 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 50 0.881 14.127 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.092 14.833 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.427 15.417 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.417 14.021 -3.467 1.00 0.00 H new ATOM 776 N ILE A 51 0.312 11.197 -1.468 1.00 0.00 N ATOM 777 CA ILE A 51 -0.396 9.964 -1.144 1.00 0.00 C ATOM 778 C ILE A 51 -1.870 10.059 -1.528 1.00 0.00 C ATOM 779 O ILE A 51 -2.735 10.235 -0.670 1.00 0.00 O ATOM 780 CB ILE A 51 -0.289 9.632 0.356 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.175 9.443 0.755 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.097 8.383 0.680 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.045 10.639 0.440 1.00 0.00 C ATOM 0 H ILE A 51 1.241 11.058 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 51 0.077 9.168 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.698 10.465 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.228 9.236 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.573 8.568 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.012 8.160 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.144 8.551 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.714 7.542 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.070 10.435 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.022 10.834 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.671 11.512 0.975 1.00 0.00 H new ATOM 795 N SER A 52 -2.147 9.940 -2.822 1.00 0.00 N ATOM 796 CA SER A 52 -3.515 10.015 -3.321 1.00 0.00 C ATOM 797 C SER A 52 -4.221 8.671 -3.175 1.00 0.00 C ATOM 798 O SER A 52 -3.580 7.619 -3.157 1.00 0.00 O ATOM 799 CB SER A 52 -3.523 10.451 -4.788 1.00 0.00 C ATOM 800 OG SER A 52 -4.832 10.793 -5.211 1.00 0.00 O ATOM 0 H SER A 52 -1.442 9.791 -3.544 1.00 0.00 H new ATOM 0 HA SER A 52 -4.052 10.755 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.860 11.306 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.134 9.646 -5.412 1.00 0.00 H new ATOM 0 HG SER A 52 -4.810 11.070 -6.151 1.00 0.00 H new ATOM 806 N CYS A 53 -5.545 8.713 -3.071 1.00 0.00 N ATOM 807 CA CYS A 53 -6.339 7.499 -2.925 1.00 0.00 C ATOM 808 C CYS A 53 -5.718 6.345 -3.706 1.00 0.00 C ATOM 809 O CYS A 53 -5.289 6.496 -4.850 1.00 0.00 O ATOM 810 CB CYS A 53 -7.772 7.742 -3.406 1.00 0.00 C ATOM 811 SG CYS A 53 -8.848 6.276 -3.307 1.00 0.00 S ATOM 0 H CYS A 53 -6.091 9.575 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.357 7.231 -1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.212 8.543 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.743 8.089 -4.439 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.854 6.528 -2.522 1.00 0.00 H new ATOM 816 N PRO A 54 -5.669 5.162 -3.076 1.00 0.00 N ATOM 817 CA PRO A 54 -5.103 3.959 -3.691 1.00 0.00 C ATOM 818 C PRO A 54 -5.970 3.428 -4.828 1.00 0.00 C ATOM 819 O PRO A 54 -5.472 2.783 -5.752 1.00 0.00 O ATOM 820 CB PRO A 54 -5.060 2.955 -2.538 1.00 0.00 C ATOM 821 CG PRO A 54 -6.126 3.410 -1.601 1.00 0.00 C ATOM 822 CD PRO A 54 -6.162 4.909 -1.711 1.00 0.00 C ATOM 0 HA PRO A 54 -4.129 4.152 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.248 1.940 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.083 2.949 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.090 2.976 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.907 3.099 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.170 5.298 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.529 5.382 -0.961 1.00 0.00 H new ATOM 830 N ASP A 55 -7.268 3.701 -4.753 1.00 0.00 N ATOM 831 CA ASP A 55 -8.204 3.252 -5.777 1.00 0.00 C ATOM 832 C ASP A 55 -7.711 3.633 -7.169 1.00 0.00 C ATOM 833 O ASP A 55 -6.960 4.593 -7.331 1.00 0.00 O ATOM 834 CB ASP A 55 -9.589 3.851 -5.530 1.00 0.00 C ATOM 835 CG ASP A 55 -10.707 2.912 -5.938 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.018 1.985 -5.162 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.274 3.106 -7.035 1.00 0.00 O ATOM 0 H ASP A 55 -7.696 4.231 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.272 2.166 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.692 4.097 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.682 4.785 -6.085 1.00 0.00 H new ATOM 842 N ALA A 56 -8.141 2.873 -8.172 1.00 0.00 N ATOM 843 CA ALA A 56 -7.744 3.132 -9.551 1.00 0.00 C ATOM 844 C ALA A 56 -8.882 3.775 -10.338 1.00 0.00 C ATOM 845 O ALA A 56 -8.762 4.009 -11.540 1.00 0.00 O ATOM 846 CB ALA A 56 -7.297 1.842 -10.222 1.00 0.00 C ATOM 0 H ALA A 56 -8.764 2.074 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.907 3.830 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.003 2.050 -11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.448 1.425 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.118 1.126 -10.217 1.00 0.00 H new ATOM 852 N ALA A 57 -9.984 4.056 -9.652 1.00 0.00 N ATOM 853 CA ALA A 57 -11.142 4.673 -10.286 1.00 0.00 C ATOM 854 C ALA A 57 -12.080 5.279 -9.247 1.00 0.00 C ATOM 855 O ALA A 57 -13.302 5.245 -9.404 1.00 0.00 O ATOM 856 CB ALA A 57 -11.883 3.652 -11.137 1.00 0.00 C ATOM 0 H ALA A 57 -10.099 3.866 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.787 5.478 -10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.746 4.126 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.216 3.269 -11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.219 2.828 -10.507 1.00 0.00 H new ATOM 862 N CYS A 58 -11.502 5.832 -8.187 1.00 0.00 N ATOM 863 CA CYS A 58 -12.286 6.445 -7.121 1.00 0.00 C ATOM 864 C CYS A 58 -13.324 7.406 -7.693 1.00 0.00 C ATOM 865 O CYS A 58 -13.040 8.211 -8.579 1.00 0.00 O ATOM 866 CB CYS A 58 -11.368 7.189 -6.148 1.00 0.00 C ATOM 867 SG CYS A 58 -12.229 7.893 -4.706 1.00 0.00 S ATOM 0 H CYS A 58 -10.493 5.869 -8.043 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.807 5.652 -6.585 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.596 6.504 -5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.863 7.992 -6.684 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.291 7.003 -3.760 1.00 0.00 H new ATOM 872 N PRO A 59 -14.558 7.319 -7.175 1.00 0.00 N ATOM 873 CA PRO A 59 -15.665 8.174 -7.618 1.00 0.00 C ATOM 874 C PRO A 59 -15.482 9.626 -7.193 1.00 0.00 C ATOM 875 O PRO A 59 -16.138 10.525 -7.717 1.00 0.00 O ATOM 876 CB PRO A 59 -16.884 7.562 -6.925 1.00 0.00 C ATOM 877 CG PRO A 59 -16.333 6.878 -5.721 1.00 0.00 C ATOM 878 CD PRO A 59 -14.969 6.382 -6.116 1.00 0.00 C ATOM 0 HA PRO A 59 -15.747 8.205 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.608 8.328 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -17.399 6.858 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.269 7.564 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.975 6.052 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.276 6.398 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.005 5.355 -6.480 1.00 0.00 H new ATOM 886 N LYS A 60 -14.584 9.850 -6.239 1.00 0.00 N ATOM 887 CA LYS A 60 -14.313 11.195 -5.743 1.00 0.00 C ATOM 888 C LYS A 60 -12.851 11.570 -5.962 1.00 0.00 C ATOM 889 O LYS A 60 -12.467 12.728 -5.801 1.00 0.00 O ATOM 890 CB LYS A 60 -14.657 11.290 -4.255 1.00 0.00 C ATOM 891 CG LYS A 60 -16.137 11.109 -3.961 1.00 0.00 C ATOM 892 CD LYS A 60 -16.854 12.445 -3.867 1.00 0.00 C ATOM 893 CE LYS A 60 -18.270 12.282 -3.335 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.993 13.583 -3.273 1.00 0.00 N ATOM 0 H LYS A 60 -14.031 9.117 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.937 11.894 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.092 10.534 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.336 12.261 -3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.593 10.504 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.259 10.563 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.294 13.115 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.886 12.912 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.820 11.591 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.235 11.838 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.954 13.429 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.482 14.235 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.049 13.995 -4.226 1.00 0.00 H new ATOM 908 N GLN A 61 -12.039 10.583 -6.331 1.00 0.00 N ATOM 909 CA GLN A 61 -10.621 10.812 -6.572 1.00 0.00 C ATOM 910 C GLN A 61 -10.005 11.648 -5.455 1.00 0.00 C ATOM 911 O GLN A 61 -9.390 12.683 -5.707 1.00 0.00 O ATOM 912 CB GLN A 61 -10.416 11.509 -7.919 1.00 0.00 C ATOM 913 CG GLN A 61 -10.677 10.609 -9.115 1.00 0.00 C ATOM 914 CD GLN A 61 -9.569 10.678 -10.149 1.00 0.00 C ATOM 915 OE1 GLN A 61 -8.494 11.217 -9.888 1.00 0.00 O ATOM 916 NE2 GLN A 61 -9.827 10.131 -11.331 1.00 0.00 N ATOM 0 H GLN A 61 -12.340 9.618 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.122 9.843 -6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -11.076 12.374 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.394 11.884 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.787 9.580 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.621 10.893 -9.580 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.732 9.694 -11.504 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.120 10.147 -12.066 1.00 0.00 H new ATOM 925 N GLY A 62 -10.176 11.191 -4.218 1.00 0.00 N ATOM 926 CA GLY A 62 -9.633 11.909 -3.079 1.00 0.00 C ATOM 927 C GLY A 62 -8.188 11.549 -2.803 1.00 0.00 C ATOM 928 O GLY A 62 -7.667 10.576 -3.351 1.00 0.00 O ATOM 0 H GLY A 62 -10.681 10.336 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.709 12.981 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.234 11.691 -2.196 1.00 0.00 H new ATOM 932 N HIS A 63 -7.534 12.335 -1.953 1.00 0.00 N ATOM 933 CA HIS A 63 -6.139 12.094 -1.606 1.00 0.00 C ATOM 934 C HIS A 63 -5.952 12.064 -0.092 1.00 0.00 C ATOM 935 O HIS A 63 -6.855 12.430 0.662 1.00 0.00 O ATOM 936 CB HIS A 63 -5.245 13.172 -2.221 1.00 0.00 C ATOM 937 CG HIS A 63 -4.551 14.026 -1.204 1.00 0.00 C ATOM 938 ND1 HIS A 63 -3.256 14.404 -1.101 1.00 0.00 N flip ATOM 939 CD2 HIS A 63 -5.202 14.595 -0.129 1.00 0.00 C flip ATOM 940 CE1 HIS A 63 -3.149 15.188 0.021 1.00 0.00 C flip ATOM 941 NE2 HIS A 63 -4.337 15.289 0.589 1.00 0.00 N flip ATOM 0 H HIS A 63 -7.949 13.145 -1.492 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.853 11.122 -2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.497 12.695 -2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.849 13.809 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.254 14.490 0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.240 15.648 0.381 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.550 15.813 1.437 1.00 0.00 H new ATOM 949 N LEU A 64 -4.779 11.625 0.346 1.00 0.00 N ATOM 950 CA LEU A 64 -4.474 11.546 1.770 1.00 0.00 C ATOM 951 C LEU A 64 -3.441 12.597 2.166 1.00 0.00 C ATOM 952 O LEU A 64 -2.706 13.106 1.320 1.00 0.00 O ATOM 953 CB LEU A 64 -3.960 10.151 2.126 1.00 0.00 C ATOM 954 CG LEU A 64 -4.977 9.014 2.024 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.303 7.735 1.553 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.669 8.794 3.361 1.00 0.00 C ATOM 0 H LEU A 64 -4.022 11.318 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.393 11.740 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.119 9.918 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.575 10.177 3.145 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.732 9.294 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.043 6.937 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.857 7.899 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.526 7.451 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.389 7.981 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.927 8.537 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.188 9.706 3.657 1.00 0.00 H new ATOM 968 N GLN A 65 -3.391 12.915 3.456 1.00 0.00 N ATOM 969 CA GLN A 65 -2.447 13.904 3.962 1.00 0.00 C ATOM 970 C GLN A 65 -1.135 13.243 4.375 1.00 0.00 C ATOM 971 O GLN A 65 -1.024 12.017 4.385 1.00 0.00 O ATOM 972 CB GLN A 65 -3.050 14.655 5.150 1.00 0.00 C ATOM 973 CG GLN A 65 -4.541 14.414 5.329 1.00 0.00 C ATOM 974 CD GLN A 65 -4.839 13.119 6.057 1.00 0.00 C ATOM 975 OE1 GLN A 65 -3.873 12.208 6.067 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -5.928 12.938 6.606 1.00 0.00 N flip ATOM 0 H GLN A 65 -3.993 12.502 4.169 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.239 14.614 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.530 14.356 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.876 15.723 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.976 15.246 5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.022 14.396 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.642 13.665 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.114 12.061 7.092 1.00 0.00 H new ATOM 985 N GLU A 66 -0.146 14.064 4.715 1.00 0.00 N ATOM 986 CA GLU A 66 1.157 13.557 5.127 1.00 0.00 C ATOM 987 C GLU A 66 1.219 13.383 6.643 1.00 0.00 C ATOM 988 O GLU A 66 1.776 12.407 7.143 1.00 0.00 O ATOM 989 CB GLU A 66 2.267 14.505 4.667 1.00 0.00 C ATOM 990 CG GLU A 66 2.930 14.080 3.367 1.00 0.00 C ATOM 991 CD GLU A 66 3.119 15.236 2.404 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.197 16.071 2.290 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.189 15.307 1.765 1.00 0.00 O ATOM 0 H GLU A 66 -0.222 15.081 4.713 1.00 0.00 H new ATOM 0 HA GLU A 66 1.303 12.583 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.851 15.505 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.025 14.569 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.899 13.633 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.325 13.309 2.890 1.00 0.00 H new ATOM 1000 N ASN A 67 0.642 14.337 7.366 1.00 0.00 N ATOM 1001 CA ASN A 67 0.632 14.291 8.824 1.00 0.00 C ATOM 1002 C ASN A 67 -0.449 13.339 9.330 1.00 0.00 C ATOM 1003 O ASN A 67 -0.148 12.301 9.917 1.00 0.00 O ATOM 1004 CB ASN A 67 0.403 15.691 9.398 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.519 16.527 8.532 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -0.161 16.920 7.421 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.715 16.804 9.038 1.00 0.00 N ATOM 0 H ASN A 67 0.175 15.151 6.966 1.00 0.00 H new ATOM 0 HA ASN A 67 1.602 13.923 9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.021 15.606 10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.361 16.200 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.379 17.363 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.970 16.458 9.963 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.706 13.702 9.097 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.830 12.880 9.529 1.00 0.00 C ATOM 1016 C GLU A 68 -2.513 11.397 9.367 1.00 0.00 C ATOM 1017 O GLU A 68 -2.810 10.589 10.247 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.087 13.236 8.732 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.212 13.796 9.587 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.216 12.736 9.997 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.917 11.536 9.819 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.299 13.105 10.496 1.00 0.00 O ATOM 0 H GLU A 68 -1.972 14.559 8.612 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.010 13.081 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.826 13.966 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.444 12.345 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.790 14.256 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.725 14.583 9.035 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.911 11.047 8.236 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.555 9.661 7.958 1.00 0.00 C ATOM 1031 C ILE A 69 -0.411 9.198 8.853 1.00 0.00 C ATOM 1032 O ILE A 69 -0.569 8.274 9.650 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.149 9.469 6.485 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.385 9.495 5.584 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.387 8.164 6.311 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.404 8.390 4.551 1.00 0.00 C ATOM 0 H ILE A 69 -1.659 11.704 7.497 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.441 9.060 8.164 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.494 10.291 6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.278 9.417 6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.433 10.458 5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.107 8.043 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.512 8.183 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.019 7.330 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.309 8.471 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.530 8.479 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.387 7.423 5.053 1.00 0.00 H new ATOM 1048 N GLU A 70 0.741 9.848 8.717 1.00 0.00 N ATOM 1049 CA GLU A 70 1.912 9.502 9.514 1.00 0.00 C ATOM 1050 C GLU A 70 1.548 9.391 10.992 1.00 0.00 C ATOM 1051 O GLU A 70 2.276 8.780 11.777 1.00 0.00 O ATOM 1052 CB GLU A 70 3.012 10.548 9.325 1.00 0.00 C ATOM 1053 CG GLU A 70 2.943 11.692 10.323 1.00 0.00 C ATOM 1054 CD GLU A 70 4.127 12.632 10.216 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.817 12.600 9.176 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.365 13.400 11.172 1.00 0.00 O ATOM 0 H GLU A 70 0.888 10.617 8.063 1.00 0.00 H new ATOM 0 HA GLU A 70 2.280 8.534 9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.983 10.061 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.946 10.953 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.023 12.254 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.897 11.285 11.333 1.00 0.00 H new ATOM 1063 N CYS A 71 0.420 9.986 11.365 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.039 9.955 12.749 1.00 0.00 C ATOM 1065 C CYS A 71 -0.581 8.577 13.112 1.00 0.00 C ATOM 1066 O CYS A 71 -0.410 8.110 14.238 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.118 11.016 12.973 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.009 11.855 14.571 1.00 0.00 S ATOM 0 H CYS A 71 -0.193 10.495 10.729 1.00 0.00 H new ATOM 0 HA CYS A 71 0.813 10.171 13.394 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.051 11.760 12.179 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.098 10.546 12.888 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.962 12.735 14.665 1.00 0.00 H new ATOM 1074 N MET A 72 -1.234 7.932 12.152 1.00 0.00 N ATOM 1075 CA MET A 72 -1.802 6.607 12.371 1.00 0.00 C ATOM 1076 C MET A 72 -0.751 5.523 12.152 1.00 0.00 C ATOM 1077 O MET A 72 -1.064 4.332 12.151 1.00 0.00 O ATOM 1078 CB MET A 72 -2.991 6.376 11.437 1.00 0.00 C ATOM 1079 CG MET A 72 -2.601 5.794 10.088 1.00 0.00 C ATOM 1080 SD MET A 72 -3.527 6.522 8.723 1.00 0.00 S ATOM 1081 CE MET A 72 -2.943 5.529 7.350 1.00 0.00 C ATOM 0 H MET A 72 -1.383 8.305 11.214 1.00 0.00 H new ATOM 0 HA MET A 72 -2.146 6.553 13.404 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.698 5.704 11.923 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.508 7.323 11.279 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.535 5.951 9.923 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.766 4.717 10.100 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.299 5.958 6.413 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.853 5.513 7.350 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.321 4.511 7.450 1.00 0.00 H new ATOM 1091 N VAL A 73 0.497 5.943 11.967 1.00 0.00 N ATOM 1092 CA VAL A 73 1.593 5.008 11.747 1.00 0.00 C ATOM 1093 C VAL A 73 2.809 5.378 12.591 1.00 0.00 C ATOM 1094 O VAL A 73 3.138 4.692 13.558 1.00 0.00 O ATOM 1095 CB VAL A 73 2.006 4.964 10.264 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.374 3.768 9.569 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.623 6.261 9.567 1.00 0.00 C ATOM 0 H VAL A 73 0.773 6.925 11.965 1.00 0.00 H new ATOM 0 HA VAL A 73 1.233 4.023 12.045 1.00 0.00 H new ATOM 0 HB VAL A 73 3.089 4.854 10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.677 3.754 8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.703 2.849 10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.288 3.843 9.631 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.922 6.213 8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.544 6.403 9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.128 7.097 10.051 1.00 0.00 H new ATOM 1107 N ALA A 74 3.470 6.470 12.219 1.00 0.00 N ATOM 1108 CA ALA A 74 4.646 6.934 12.943 1.00 0.00 C ATOM 1109 C ALA A 74 4.254 7.827 14.115 1.00 0.00 C ATOM 1110 O ALA A 74 4.983 8.750 14.475 1.00 0.00 O ATOM 1111 CB ALA A 74 5.585 7.675 12.002 1.00 0.00 C ATOM 0 H ALA A 74 3.210 7.049 11.420 1.00 0.00 H new ATOM 0 HA ALA A 74 5.163 6.062 13.344 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.460 8.017 12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.901 7.006 11.201 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.068 8.534 11.574 1.00 0.00 H new ATOM 1117 N ALA A 75 3.096 7.545 14.705 1.00 0.00 N ATOM 1118 CA ALA A 75 2.608 8.322 15.837 1.00 0.00 C ATOM 1119 C ALA A 75 3.685 8.469 16.907 1.00 0.00 C ATOM 1120 O ALA A 75 3.750 9.512 17.555 1.00 0.00 O ATOM 1121 CB ALA A 75 1.363 7.675 16.423 1.00 0.00 C ATOM 0 H ALA A 75 2.480 6.785 14.417 1.00 0.00 H new ATOM 0 HA ALA A 75 2.351 9.319 15.479 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.009 8.266 17.268 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.585 7.628 15.662 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.602 6.666 16.760 1.00 0.00 H new