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 26 CYS SG : rot 110:sc= 0.851 USER MOD Set 1.2: A 28 CYS SG : rot -170:sc= 0.996 USER MOD Set 1.3: A 53 CYS SG : rot -170:sc= -1.88 USER MOD Set 1.4: A 58 CYS SG : rot -178:sc=-0.000819 USER MOD Set 2.1: A 8 CYS SG : rot 178:sc= 0.114 USER MOD Set 2.2: A 11 CYS SG : rot -60:sc= 0.412 USER MOD Set 2.3: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 31 CYS SG : rot -36:sc= -0.255 USER MOD Set 2.5: A 34 CYS SG : rot 66:sc= 0.451 USER MOD Single : A 7 SER OG : rot 160:sc= -1.77! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 147:sc= -0.654 (180deg=-3.13!) 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= -1.16 K(o=-1.2,f=-0.64) USER MOD Single : A 27 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 38 TYR OH : rot -100:sc= -2.49! USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -5.07! (180deg=-6.69!) USER MOD Single : A 49 THR OG1 : rot -128:sc= -0.434 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= -15.4! C(o=-15!,f=-9.1!) USER MOD Single : A 67 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.18) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -146:sc= 0 (180deg=-0.11) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 -14.476 -5.652 1.304 1.00 0.00 N ATOM 92 CA SER A 7 -14.331 -4.231 1.599 1.00 0.00 C ATOM 93 C SER A 7 -13.132 -3.644 0.860 1.00 0.00 C ATOM 94 O SER A 7 -13.289 -2.903 -0.112 1.00 0.00 O ATOM 95 CB SER A 7 -14.172 -4.015 3.105 1.00 0.00 C ATOM 96 OG SER A 7 -15.212 -3.199 3.615 1.00 0.00 O ATOM 0 HA SER A 7 -15.232 -3.720 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.177 -4.978 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.207 -3.550 3.309 1.00 0.00 H new ATOM 0 HG SER A 7 -15.286 -3.330 4.583 1.00 0.00 H new ATOM 102 N CYS A 8 -11.934 -3.979 1.326 1.00 0.00 N ATOM 103 CA CYS A 8 -10.708 -3.486 0.713 1.00 0.00 C ATOM 104 C CYS A 8 -10.607 -3.938 -0.742 1.00 0.00 C ATOM 105 O CYS A 8 -11.245 -4.911 -1.147 1.00 0.00 O ATOM 106 CB CYS A 8 -9.487 -3.975 1.496 1.00 0.00 C ATOM 107 SG CYS A 8 -7.943 -3.098 1.091 1.00 0.00 S ATOM 0 H CYS A 8 -11.787 -4.591 2.128 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.733 -2.397 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.685 -3.866 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.349 -5.039 1.305 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.978 -3.552 1.835 1.00 0.00 H new ATOM 112 N LYS A 9 -9.802 -3.227 -1.522 1.00 0.00 N ATOM 113 CA LYS A 9 -9.615 -3.554 -2.931 1.00 0.00 C ATOM 114 C LYS A 9 -8.146 -3.829 -3.235 1.00 0.00 C ATOM 115 O LYS A 9 -7.822 -4.678 -4.067 1.00 0.00 O ATOM 116 CB LYS A 9 -10.124 -2.412 -3.813 1.00 0.00 C ATOM 117 CG LYS A 9 -10.766 -1.279 -3.032 1.00 0.00 C ATOM 118 CD LYS A 9 -12.192 -1.616 -2.629 1.00 0.00 C ATOM 119 CE LYS A 9 -13.201 -0.793 -3.416 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.602 -1.109 -3.021 1.00 0.00 N ATOM 0 H LYS A 9 -9.267 -2.419 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.188 -4.455 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.292 -2.015 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.849 -2.809 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.175 -1.070 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.763 -0.372 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.377 -2.677 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.323 -1.432 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.009 0.268 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.072 -0.983 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.260 -0.528 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.794 -2.116 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.732 -0.904 -2.010 1.00 0.00 H new ATOM 134 N LEU A 10 -7.260 -3.108 -2.556 1.00 0.00 N ATOM 135 CA LEU A 10 -5.825 -3.277 -2.753 1.00 0.00 C ATOM 136 C LEU A 10 -5.425 -4.743 -2.626 1.00 0.00 C ATOM 137 O LEU A 10 -4.742 -5.289 -3.491 1.00 0.00 O ATOM 138 CB LEU A 10 -5.049 -2.434 -1.739 1.00 0.00 C ATOM 139 CG LEU A 10 -4.952 -0.939 -2.042 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.635 -0.157 -0.776 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.899 -0.678 -3.110 1.00 0.00 C ATOM 0 H LEU A 10 -7.510 -2.401 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.580 -2.940 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.516 -2.556 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.038 -2.835 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.917 -0.602 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.570 0.905 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.424 -0.318 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.684 -0.497 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.844 0.392 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.929 -1.031 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.169 -1.207 -4.024 1.00 0.00 H new ATOM 153 N CYS A 11 -5.858 -5.376 -1.540 1.00 0.00 N ATOM 154 CA CYS A 11 -5.548 -6.780 -1.298 1.00 0.00 C ATOM 155 C CYS A 11 -6.702 -7.676 -1.739 1.00 0.00 C ATOM 156 O CYS A 11 -6.572 -8.900 -1.781 1.00 0.00 O ATOM 157 CB CYS A 11 -5.247 -7.010 0.184 1.00 0.00 C ATOM 158 SG CYS A 11 -6.659 -6.683 1.289 1.00 0.00 S ATOM 0 H CYS A 11 -6.425 -4.938 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.666 -7.037 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.923 -8.041 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.414 -6.372 0.478 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.032 -5.444 1.161 1.00 0.00 H new ATOM 163 N LEU A 12 -7.831 -7.057 -2.067 1.00 0.00 N ATOM 164 CA LEU A 12 -9.009 -7.798 -2.506 1.00 0.00 C ATOM 165 C LEU A 12 -9.476 -8.768 -1.425 1.00 0.00 C ATOM 166 O LEU A 12 -10.094 -9.790 -1.719 1.00 0.00 O ATOM 167 CB LEU A 12 -8.705 -8.561 -3.796 1.00 0.00 C ATOM 168 CG LEU A 12 -8.396 -7.706 -5.025 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.797 -8.560 -6.133 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.652 -7.001 -5.513 1.00 0.00 C ATOM 0 H LEU A 12 -7.956 -6.045 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.809 -7.082 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.856 -9.219 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.558 -9.198 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.665 -6.949 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.584 -7.934 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.873 -9.018 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.505 -9.340 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.413 -6.397 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.406 -7.742 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.038 -6.358 -4.723 1.00 0.00 H new ATOM 182 N GLY A 13 -9.177 -8.438 -0.172 1.00 0.00 N ATOM 183 CA GLY A 13 -9.576 -9.289 0.934 1.00 0.00 C ATOM 184 C GLY A 13 -11.007 -9.044 1.368 1.00 0.00 C ATOM 185 O GLY A 13 -11.947 -9.431 0.675 1.00 0.00 O ATOM 0 H GLY A 13 -8.666 -7.597 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.461 -10.333 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.909 -9.118 1.779 1.00 0.00 H new ATOM 189 N GLU A 14 -11.173 -8.399 2.519 1.00 0.00 N ATOM 190 CA GLU A 14 -12.501 -8.106 3.044 1.00 0.00 C ATOM 191 C GLU A 14 -12.408 -7.335 4.359 1.00 0.00 C ATOM 192 O GLU A 14 -12.453 -6.105 4.374 1.00 0.00 O ATOM 193 CB GLU A 14 -13.289 -9.400 3.254 1.00 0.00 C ATOM 194 CG GLU A 14 -12.423 -10.580 3.663 1.00 0.00 C ATOM 195 CD GLU A 14 -12.923 -11.262 4.921 1.00 0.00 C ATOM 196 OE1 GLU A 14 -13.280 -10.547 5.881 1.00 0.00 O ATOM 197 OE2 GLU A 14 -12.957 -12.510 4.948 1.00 0.00 O ATOM 0 H GLU A 14 -10.405 -8.070 3.105 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.023 -7.486 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.047 -9.234 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.816 -9.649 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.394 -11.304 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.400 -10.238 3.822 1.00 0.00 H new ATOM 204 N TYR A 15 -12.278 -8.069 5.459 1.00 0.00 N ATOM 205 CA TYR A 15 -12.180 -7.457 6.779 1.00 0.00 C ATOM 206 C TYR A 15 -13.427 -6.634 7.090 1.00 0.00 C ATOM 207 O TYR A 15 -14.079 -6.085 6.201 1.00 0.00 O ATOM 208 CB TYR A 15 -10.937 -6.570 6.863 1.00 0.00 C ATOM 209 CG TYR A 15 -9.704 -7.197 6.254 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.464 -7.123 4.887 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.778 -7.867 7.044 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.339 -7.695 4.326 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.649 -8.442 6.494 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.434 -8.353 5.133 1.00 0.00 C ATOM 215 OH TYR A 15 -6.312 -8.925 4.580 1.00 0.00 O ATOM 0 H TYR A 15 -12.238 -9.088 5.463 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.098 -8.255 7.517 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.140 -5.625 6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.737 -6.337 7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.170 -6.609 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.944 -7.940 8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.169 -7.628 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.939 -8.958 7.124 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.779 -9.348 5.285 1.00 0.00 H new ATOM 225 N PRO A 16 -13.768 -6.545 8.384 1.00 0.00 N ATOM 226 CA PRO A 16 -14.937 -5.790 8.845 1.00 0.00 C ATOM 227 C PRO A 16 -14.754 -4.285 8.689 1.00 0.00 C ATOM 228 O PRO A 16 -13.823 -3.827 8.025 1.00 0.00 O ATOM 229 CB PRO A 16 -15.040 -6.166 10.325 1.00 0.00 C ATOM 230 CG PRO A 16 -13.654 -6.546 10.717 1.00 0.00 C ATOM 231 CD PRO A 16 -13.037 -7.173 9.498 1.00 0.00 C ATOM 0 HA PRO A 16 -15.830 -6.028 8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.405 -5.330 10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.735 -6.992 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.086 -5.673 11.037 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.663 -7.245 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.967 -6.972 9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.158 -8.256 9.498 1.00 0.00 H new ATOM 239 N VAL A 17 -15.649 -3.517 9.303 1.00 0.00 N ATOM 240 CA VAL A 17 -15.585 -2.062 9.233 1.00 0.00 C ATOM 241 C VAL A 17 -14.786 -1.491 10.399 1.00 0.00 C ATOM 242 O VAL A 17 -14.365 -0.335 10.367 1.00 0.00 O ATOM 243 CB VAL A 17 -16.993 -1.438 9.235 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.218 -0.634 10.507 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.193 -0.570 8.002 1.00 0.00 C ATOM 0 H VAL A 17 -16.427 -3.879 9.855 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.086 -1.811 8.297 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.729 -2.242 9.207 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.218 -0.200 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.120 -1.288 11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.478 0.164 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.193 -0.137 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.452 0.229 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.077 -1.179 7.106 1.00 0.00 H new ATOM 255 N GLU A 18 -14.581 -2.309 11.426 1.00 0.00 N ATOM 256 CA GLU A 18 -13.832 -1.883 12.603 1.00 0.00 C ATOM 257 C GLU A 18 -12.357 -2.256 12.473 1.00 0.00 C ATOM 258 O GLU A 18 -11.587 -2.120 13.423 1.00 0.00 O ATOM 259 CB GLU A 18 -14.420 -2.516 13.866 1.00 0.00 C ATOM 260 CG GLU A 18 -15.907 -2.257 14.041 1.00 0.00 C ATOM 261 CD GLU A 18 -16.203 -0.841 14.495 1.00 0.00 C ATOM 262 OE1 GLU A 18 -17.178 -0.653 15.252 1.00 0.00 O ATOM 263 OE2 GLU A 18 -15.460 0.079 14.095 1.00 0.00 O ATOM 0 H GLU A 18 -14.922 -3.269 11.467 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.910 -0.798 12.679 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.248 -3.592 13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.888 -2.132 14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.418 -2.446 13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.311 -2.960 14.769 1.00 0.00 H new ATOM 270 N GLN A 19 -11.974 -2.726 11.290 1.00 0.00 N ATOM 271 CA GLN A 19 -10.593 -3.120 11.037 1.00 0.00 C ATOM 272 C GLN A 19 -10.058 -2.447 9.778 1.00 0.00 C ATOM 273 O GLN A 19 -9.123 -2.941 9.148 1.00 0.00 O ATOM 274 CB GLN A 19 -10.490 -4.640 10.900 1.00 0.00 C ATOM 275 CG GLN A 19 -10.473 -5.372 12.233 1.00 0.00 C ATOM 276 CD GLN A 19 -9.316 -6.342 12.351 1.00 0.00 C ATOM 277 OE1 GLN A 19 -8.214 -5.967 12.754 1.00 0.00 O ATOM 278 NE2 GLN A 19 -9.559 -7.600 12.000 1.00 0.00 N ATOM 0 H GLN A 19 -12.600 -2.843 10.493 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.989 -2.798 11.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.331 -5.001 10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.583 -4.886 10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.416 -4.644 13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.411 -5.914 12.358 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.487 -7.868 11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.818 -8.298 12.059 1.00 0.00 H new ATOM 287 N MET A 20 -10.656 -1.316 9.417 1.00 0.00 N ATOM 288 CA MET A 20 -10.238 -0.575 8.233 1.00 0.00 C ATOM 289 C MET A 20 -10.109 0.914 8.541 1.00 0.00 C ATOM 290 O MET A 20 -10.427 1.361 9.643 1.00 0.00 O ATOM 291 CB MET A 20 -11.237 -0.786 7.093 1.00 0.00 C ATOM 292 CG MET A 20 -12.108 -2.020 7.271 1.00 0.00 C ATOM 293 SD MET A 20 -12.655 -2.716 5.701 1.00 0.00 S ATOM 294 CE MET A 20 -11.081 -3.084 4.928 1.00 0.00 C ATOM 0 H MET A 20 -11.431 -0.893 9.927 1.00 0.00 H new ATOM 0 HA MET A 20 -9.262 -0.951 7.926 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.877 0.093 7.014 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.692 -0.868 6.153 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.551 -2.776 7.825 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.979 -1.761 7.873 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.180 -3.974 4.307 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.774 -2.241 4.308 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.330 -3.261 5.698 1.00 0.00 H new ATOM 304 N THR A 21 -9.639 1.678 7.559 1.00 0.00 N ATOM 305 CA THR A 21 -9.466 3.115 7.726 1.00 0.00 C ATOM 306 C THR A 21 -9.871 3.868 6.464 1.00 0.00 C ATOM 307 O THR A 21 -9.521 3.471 5.352 1.00 0.00 O ATOM 308 CB THR A 21 -8.008 3.469 8.076 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.705 3.042 9.408 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.770 4.966 7.952 1.00 0.00 C ATOM 0 H THR A 21 -9.372 1.325 6.640 1.00 0.00 H new ATOM 0 HA THR A 21 -10.113 3.417 8.550 1.00 0.00 H new ATOM 0 HB THR A 21 -7.354 2.953 7.373 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.776 3.270 9.621 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.734 5.192 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.972 5.283 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.433 5.498 8.634 1.00 0.00 H new ATOM 318 N THR A 22 -10.611 4.958 6.643 1.00 0.00 N ATOM 319 CA THR A 22 -11.065 5.766 5.518 1.00 0.00 C ATOM 320 C THR A 22 -9.958 6.691 5.023 1.00 0.00 C ATOM 321 O THR A 22 -9.008 6.982 5.752 1.00 0.00 O ATOM 322 CB THR A 22 -12.295 6.613 5.895 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.409 5.760 6.179 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.657 7.572 4.771 1.00 0.00 C ATOM 0 H THR A 22 -10.908 5.301 7.556 1.00 0.00 H new ATOM 0 HA THR A 22 -11.340 5.074 4.722 1.00 0.00 H new ATOM 0 HB THR A 22 -12.049 7.196 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.186 6.306 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.528 8.159 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.817 8.240 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.885 7.005 3.868 1.00 0.00 H new ATOM 332 N ILE A 23 -10.087 7.150 3.783 1.00 0.00 N ATOM 333 CA ILE A 23 -9.097 8.043 3.193 1.00 0.00 C ATOM 334 C ILE A 23 -9.095 9.399 3.891 1.00 0.00 C ATOM 335 O ILE A 23 -8.422 9.586 4.904 1.00 0.00 O ATOM 336 CB ILE A 23 -9.354 8.252 1.689 1.00 0.00 C ATOM 337 CG1 ILE A 23 -8.986 6.990 0.906 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.564 9.448 1.179 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.591 6.483 1.198 1.00 0.00 C ATOM 0 H ILE A 23 -10.867 6.919 3.168 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.125 7.568 3.325 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.415 8.452 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.705 6.205 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.073 7.196 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.756 9.583 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.870 10.344 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.499 9.275 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.399 5.587 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.863 7.251 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.505 6.245 2.258 1.00 0.00 H new ATOM 351 N ALA A 24 -9.855 10.341 3.343 1.00 0.00 N ATOM 352 CA ALA A 24 -9.945 11.679 3.915 1.00 0.00 C ATOM 353 C ALA A 24 -10.496 12.674 2.899 1.00 0.00 C ATOM 354 O ALA A 24 -10.090 13.835 2.871 1.00 0.00 O ATOM 355 CB ALA A 24 -8.581 12.132 4.413 1.00 0.00 C ATOM 0 H ALA A 24 -10.417 10.203 2.503 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.634 11.642 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.663 13.133 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.225 11.441 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.877 12.147 3.581 1.00 0.00 H new ATOM 361 N GLN A 25 -11.424 12.211 2.067 1.00 0.00 N ATOM 362 CA GLN A 25 -12.029 13.061 1.048 1.00 0.00 C ATOM 363 C GLN A 25 -13.031 12.276 0.210 1.00 0.00 C ATOM 364 O GLN A 25 -14.151 12.731 -0.025 1.00 0.00 O ATOM 365 CB GLN A 25 -10.949 13.660 0.146 1.00 0.00 C ATOM 366 CG GLN A 25 -10.797 15.165 0.294 1.00 0.00 C ATOM 367 CD GLN A 25 -12.117 15.900 0.160 1.00 0.00 C ATOM 368 OE1 GLN A 25 -12.550 16.226 -0.946 1.00 0.00 O ATOM 369 NE2 GLN A 25 -12.764 16.167 1.289 1.00 0.00 N ATOM 0 H GLN A 25 -11.773 11.253 2.079 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.559 13.869 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.995 13.183 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.185 13.428 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.358 15.388 1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.102 15.532 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.369 15.878 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.656 16.661 1.261 1.00 0.00 H new ATOM 378 N CYS A 26 -12.622 11.095 -0.241 1.00 0.00 N ATOM 379 CA CYS A 26 -13.484 10.246 -1.055 1.00 0.00 C ATOM 380 C CYS A 26 -14.307 9.307 -0.178 1.00 0.00 C ATOM 381 O CYS A 26 -15.329 8.776 -0.611 1.00 0.00 O ATOM 382 CB CYS A 26 -12.646 9.433 -2.045 1.00 0.00 C ATOM 383 SG CYS A 26 -11.393 8.369 -1.260 1.00 0.00 S ATOM 0 H CYS A 26 -11.698 10.704 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.167 10.889 -1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.312 8.811 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.147 10.118 -2.731 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.735 7.122 -1.396 1.00 0.00 H new ATOM 388 N GLN A 27 -13.855 9.109 1.055 1.00 0.00 N ATOM 389 CA GLN A 27 -14.550 8.234 1.993 1.00 0.00 C ATOM 390 C GLN A 27 -14.532 6.790 1.504 1.00 0.00 C ATOM 391 O GLN A 27 -15.583 6.170 1.329 1.00 0.00 O ATOM 392 CB GLN A 27 -15.993 8.704 2.186 1.00 0.00 C ATOM 393 CG GLN A 27 -16.106 10.131 2.697 1.00 0.00 C ATOM 394 CD GLN A 27 -15.489 10.309 4.070 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.195 10.365 5.078 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.166 10.399 4.118 1.00 0.00 N ATOM 0 H GLN A 27 -13.011 9.542 1.429 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.030 8.280 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.522 8.624 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.493 8.036 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.618 10.805 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.157 10.417 2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.620 10.348 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.695 10.520 5.015 1.00 0.00 H new ATOM 405 N CYS A 28 -13.334 6.259 1.285 1.00 0.00 N ATOM 406 CA CYS A 28 -13.180 4.887 0.815 1.00 0.00 C ATOM 407 C CYS A 28 -12.845 3.951 1.973 1.00 0.00 C ATOM 408 O CYS A 28 -12.812 4.367 3.132 1.00 0.00 O ATOM 409 CB CYS A 28 -12.084 4.811 -0.250 1.00 0.00 C ATOM 410 SG CYS A 28 -12.583 5.463 -1.876 1.00 0.00 S ATOM 0 H CYS A 28 -12.455 6.758 1.425 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.126 4.570 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.213 5.365 0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.776 3.772 -0.366 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.675 5.169 -2.759 1.00 0.00 H new ATOM 415 N ILE A 29 -12.597 2.686 1.650 1.00 0.00 N ATOM 416 CA ILE A 29 -12.262 1.692 2.662 1.00 0.00 C ATOM 417 C ILE A 29 -11.016 0.905 2.270 1.00 0.00 C ATOM 418 O ILE A 29 -10.939 0.349 1.174 1.00 0.00 O ATOM 419 CB ILE A 29 -13.426 0.708 2.890 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.630 0.463 4.386 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.160 -0.604 2.165 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.940 -0.217 4.714 1.00 0.00 C ATOM 0 H ILE A 29 -12.622 2.326 0.696 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.069 2.236 3.587 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.338 1.147 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.809 -0.148 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.583 1.417 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.991 -1.289 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.059 -0.415 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.240 -1.049 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.016 -0.359 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.768 0.403 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.981 -1.186 4.217 1.00 0.00 H new ATOM 434 N PHE A 30 -10.042 0.862 3.173 1.00 0.00 N ATOM 435 CA PHE A 30 -8.799 0.142 2.923 1.00 0.00 C ATOM 436 C PHE A 30 -8.169 -0.328 4.230 1.00 0.00 C ATOM 437 O PHE A 30 -7.906 0.472 5.128 1.00 0.00 O ATOM 438 CB PHE A 30 -7.815 1.033 2.160 1.00 0.00 C ATOM 439 CG PHE A 30 -8.370 1.575 0.874 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.748 2.904 0.774 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.513 0.756 -0.235 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.259 3.407 -0.409 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.022 1.253 -1.419 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.397 2.580 -1.506 1.00 0.00 C ATOM 0 H PHE A 30 -10.090 1.317 4.084 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.031 -0.734 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.521 1.866 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.912 0.462 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.643 3.555 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.223 -0.283 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.550 4.445 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.127 0.605 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.797 2.970 -2.430 1.00 0.00 H new ATOM 454 N CYS A 31 -7.930 -1.631 4.331 1.00 0.00 N ATOM 455 CA CYS A 31 -7.333 -2.209 5.527 1.00 0.00 C ATOM 456 C CYS A 31 -5.991 -1.552 5.839 1.00 0.00 C ATOM 457 O CYS A 31 -5.116 -1.462 4.977 1.00 0.00 O ATOM 458 CB CYS A 31 -7.145 -3.717 5.352 1.00 0.00 C ATOM 459 SG CYS A 31 -5.757 -4.172 4.264 1.00 0.00 S ATOM 0 H CYS A 31 -8.141 -2.307 3.597 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.009 -2.028 6.362 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.988 -4.169 6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.064 -4.142 4.948 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.666 -3.311 3.294 1.00 0.00 H new ATOM 464 N THR A 32 -5.837 -1.093 7.077 1.00 0.00 N ATOM 465 CA THR A 32 -4.603 -0.444 7.502 1.00 0.00 C ATOM 466 C THR A 32 -3.391 -1.055 6.808 1.00 0.00 C ATOM 467 O THR A 32 -2.540 -0.340 6.277 1.00 0.00 O ATOM 468 CB THR A 32 -4.412 -0.544 9.027 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.679 -0.442 9.687 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.483 0.551 9.530 1.00 0.00 C ATOM 0 H THR A 32 -6.551 -1.159 7.802 1.00 0.00 H new ATOM 0 HA THR A 32 -4.687 0.606 7.222 1.00 0.00 H new ATOM 0 HB THR A 32 -3.962 -1.511 9.252 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.549 -0.508 10.656 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.364 0.459 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.510 0.453 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.908 1.526 9.293 1.00 0.00 H new ATOM 478 N LEU A 33 -3.320 -2.382 6.814 1.00 0.00 N ATOM 479 CA LEU A 33 -2.211 -3.091 6.184 1.00 0.00 C ATOM 480 C LEU A 33 -1.834 -2.440 4.857 1.00 0.00 C ATOM 481 O LEU A 33 -0.718 -1.946 4.691 1.00 0.00 O ATOM 482 CB LEU A 33 -2.581 -4.558 5.959 1.00 0.00 C ATOM 483 CG LEU A 33 -2.163 -5.532 7.062 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.295 -5.725 8.060 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.744 -6.866 6.465 1.00 0.00 C ATOM 0 H LEU A 33 -4.016 -2.988 7.248 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.351 -3.038 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.662 -4.624 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.131 -4.886 5.022 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.308 -5.108 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.980 -6.421 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.549 -4.766 8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.169 -6.126 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.450 -7.546 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.579 -7.296 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.902 -6.714 5.790 1.00 0.00 H new ATOM 497 N CYS A 34 -2.771 -2.444 3.915 1.00 0.00 N ATOM 498 CA CYS A 34 -2.537 -1.853 2.602 1.00 0.00 C ATOM 499 C CYS A 34 -2.381 -0.339 2.707 1.00 0.00 C ATOM 500 O CYS A 34 -1.331 0.213 2.376 1.00 0.00 O ATOM 501 CB CYS A 34 -3.689 -2.194 1.655 1.00 0.00 C ATOM 502 SG CYS A 34 -4.067 -3.973 1.553 1.00 0.00 S ATOM 0 H CYS A 34 -3.699 -2.850 4.036 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.612 -2.269 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.583 -1.662 1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.446 -1.828 0.658 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.509 -4.389 2.703 1.00 0.00 H new ATOM 507 N LEU A 35 -3.434 0.328 3.169 1.00 0.00 N ATOM 508 CA LEU A 35 -3.414 1.778 3.318 1.00 0.00 C ATOM 509 C LEU A 35 -2.158 2.234 4.053 1.00 0.00 C ATOM 510 O LEU A 35 -1.773 3.402 3.984 1.00 0.00 O ATOM 511 CB LEU A 35 -4.659 2.250 4.072 1.00 0.00 C ATOM 512 CG LEU A 35 -5.343 3.502 3.522 1.00 0.00 C ATOM 513 CD1 LEU A 35 -6.591 3.826 4.328 1.00 0.00 C ATOM 514 CD2 LEU A 35 -4.382 4.682 3.527 1.00 0.00 C ATOM 0 H LEU A 35 -4.311 -0.113 3.446 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.410 2.220 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.385 1.437 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.381 2.438 5.109 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.641 3.306 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.064 4.720 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.287 2.989 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.317 4.001 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.887 5.564 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.053 4.879 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.517 4.450 2.905 1.00 0.00 H new ATOM 526 N LYS A 36 -1.521 1.304 4.756 1.00 0.00 N ATOM 527 CA LYS A 36 -0.305 1.608 5.502 1.00 0.00 C ATOM 528 C LYS A 36 0.934 1.346 4.652 1.00 0.00 C ATOM 529 O LYS A 36 1.738 2.247 4.417 1.00 0.00 O ATOM 530 CB LYS A 36 -0.245 0.771 6.783 1.00 0.00 C ATOM 531 CG LYS A 36 1.052 0.934 7.556 1.00 0.00 C ATOM 532 CD LYS A 36 1.842 -0.363 7.599 1.00 0.00 C ATOM 533 CE LYS A 36 2.753 -0.420 8.815 1.00 0.00 C ATOM 534 NZ LYS A 36 2.195 -1.292 9.887 1.00 0.00 N ATOM 0 H LYS A 36 -1.826 0.333 4.825 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.325 2.665 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.079 1.048 7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.376 -0.280 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.657 1.714 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.832 1.261 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.154 -1.209 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.438 -0.457 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.733 -0.793 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.900 0.587 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.846 -1.304 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.271 -0.922 10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.078 -2.259 9.522 1.00 0.00 H new ATOM 548 N GLN A 37 1.082 0.106 4.195 1.00 0.00 N ATOM 549 CA GLN A 37 2.223 -0.273 3.371 1.00 0.00 C ATOM 550 C GLN A 37 2.334 0.629 2.147 1.00 0.00 C ATOM 551 O GLN A 37 3.359 0.644 1.464 1.00 0.00 O ATOM 552 CB GLN A 37 2.101 -1.734 2.934 1.00 0.00 C ATOM 553 CG GLN A 37 3.312 -2.580 3.293 1.00 0.00 C ATOM 554 CD GLN A 37 2.968 -4.047 3.464 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.458 -4.707 4.381 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.124 -4.564 2.581 1.00 0.00 N ATOM 0 H GLN A 37 0.426 -0.652 4.382 1.00 0.00 H new ATOM 0 HA GLN A 37 3.126 -0.155 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.214 -2.170 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.950 -1.770 1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.067 -2.476 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.753 -2.204 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.742 -3.979 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.856 -5.546 2.646 1.00 0.00 H new ATOM 565 N TYR A 38 1.272 1.379 1.872 1.00 0.00 N ATOM 566 CA TYR A 38 1.249 2.282 0.728 1.00 0.00 C ATOM 567 C TYR A 38 1.666 3.691 1.137 1.00 0.00 C ATOM 568 O TYR A 38 2.563 4.284 0.538 1.00 0.00 O ATOM 569 CB TYR A 38 -0.148 2.311 0.103 1.00 0.00 C ATOM 570 CG TYR A 38 -0.608 3.699 -0.283 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.775 4.238 0.246 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.122 4.470 -1.179 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.199 5.504 -0.106 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.294 5.738 -1.535 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.456 6.251 -0.996 1.00 0.00 C ATOM 576 OH TYR A 38 -1.875 7.514 -1.349 1.00 0.00 O ATOM 0 H TYR A 38 0.416 1.379 2.426 1.00 0.00 H new ATOM 0 HA TYR A 38 1.962 1.912 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.154 1.675 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.861 1.883 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.360 3.657 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.031 4.071 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.109 5.908 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.287 6.325 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.317 7.480 -2.223 1.00 0.00 H new ATOM 586 N VAL A 39 1.007 4.222 2.162 1.00 0.00 N ATOM 587 CA VAL A 39 1.308 5.561 2.655 1.00 0.00 C ATOM 588 C VAL A 39 2.612 5.574 3.445 1.00 0.00 C ATOM 589 O VAL A 39 3.489 6.402 3.199 1.00 0.00 O ATOM 590 CB VAL A 39 0.174 6.099 3.546 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.161 6.014 2.822 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.126 5.340 4.863 1.00 0.00 C ATOM 0 H VAL A 39 0.261 3.745 2.668 1.00 0.00 H new ATOM 0 HA VAL A 39 1.409 6.206 1.782 1.00 0.00 H new ATOM 0 HB VAL A 39 0.374 7.148 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.950 6.399 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.118 6.607 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.373 4.975 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.681 5.733 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.049 4.282 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.074 5.460 5.387 1.00 0.00 H new ATOM 602 N GLU A 40 2.732 4.653 4.395 1.00 0.00 N ATOM 603 CA GLU A 40 3.929 4.559 5.222 1.00 0.00 C ATOM 604 C GLU A 40 5.184 4.825 4.395 1.00 0.00 C ATOM 605 O GLU A 40 6.134 5.447 4.871 1.00 0.00 O ATOM 606 CB GLU A 40 4.019 3.178 5.875 1.00 0.00 C ATOM 607 CG GLU A 40 4.833 3.164 7.158 1.00 0.00 C ATOM 608 CD GLU A 40 6.138 2.405 7.011 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.541 1.728 7.980 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.756 2.491 5.930 1.00 0.00 O ATOM 0 H GLU A 40 2.015 3.961 4.611 1.00 0.00 H new ATOM 0 HA GLU A 40 3.860 5.318 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.012 2.820 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.461 2.478 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.045 4.189 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.242 2.712 7.954 1.00 0.00 H new ATOM 617 N LEU A 41 5.179 4.349 3.154 1.00 0.00 N ATOM 618 CA LEU A 41 6.316 4.534 2.260 1.00 0.00 C ATOM 619 C LEU A 41 6.384 5.973 1.756 1.00 0.00 C ATOM 620 O LEU A 41 7.467 6.545 1.626 1.00 0.00 O ATOM 621 CB LEU A 41 6.220 3.571 1.076 1.00 0.00 C ATOM 622 CG LEU A 41 6.323 2.082 1.412 1.00 0.00 C ATOM 623 CD1 LEU A 41 6.820 1.297 0.209 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.239 1.867 2.607 1.00 0.00 C ATOM 0 H LEU A 41 4.400 3.832 2.745 1.00 0.00 H new ATOM 0 HA LEU A 41 7.226 4.322 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.271 3.744 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.010 3.819 0.367 1.00 0.00 H new ATOM 0 HG LEU A 41 5.329 1.718 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.887 0.240 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.125 1.425 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.805 1.662 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.300 0.802 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.234 2.247 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.840 2.398 3.471 1.00 0.00 H new ATOM 636 N LEU A 42 5.222 6.551 1.474 1.00 0.00 N ATOM 637 CA LEU A 42 5.149 7.924 0.986 1.00 0.00 C ATOM 638 C LEU A 42 5.159 8.915 2.146 1.00 0.00 C ATOM 639 O LEU A 42 6.073 9.731 2.268 1.00 0.00 O ATOM 640 CB LEU A 42 3.887 8.120 0.145 1.00 0.00 C ATOM 641 CG LEU A 42 3.882 7.443 -1.226 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.457 7.197 -1.696 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.642 8.286 -2.240 1.00 0.00 C ATOM 0 H LEU A 42 4.317 6.091 1.575 1.00 0.00 H new ATOM 0 HA LEU A 42 6.025 8.110 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.034 7.750 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.733 9.189 0.000 1.00 0.00 H new ATOM 0 HG LEU A 42 4.384 6.479 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.474 6.715 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.945 6.552 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.929 8.148 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.628 7.789 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.169 9.264 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.674 8.409 -1.910 1.00 0.00 H new ATOM 655 N ILE A 43 4.140 8.836 2.995 1.00 0.00 N ATOM 656 CA ILE A 43 4.035 9.723 4.146 1.00 0.00 C ATOM 657 C ILE A 43 5.402 9.976 4.773 1.00 0.00 C ATOM 658 O ILE A 43 5.629 11.013 5.396 1.00 0.00 O ATOM 659 CB ILE A 43 3.090 9.147 5.217 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.847 10.028 5.361 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.814 9.022 6.549 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.876 9.894 4.209 1.00 0.00 C ATOM 0 H ILE A 43 3.375 8.167 2.907 1.00 0.00 H new ATOM 0 HA ILE A 43 3.626 10.665 3.781 1.00 0.00 H new ATOM 0 HB ILE A 43 2.772 8.153 4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.335 9.772 6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.157 11.070 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.133 8.614 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.671 8.357 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.157 10.005 6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.019 10.546 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.371 10.178 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.537 8.861 4.137 1.00 0.00 H new ATOM 674 N LYS A 44 6.310 9.023 4.601 1.00 0.00 N ATOM 675 CA LYS A 44 7.656 9.141 5.147 1.00 0.00 C ATOM 676 C LYS A 44 8.525 10.031 4.263 1.00 0.00 C ATOM 677 O LYS A 44 9.267 10.878 4.759 1.00 0.00 O ATOM 678 CB LYS A 44 8.298 7.758 5.282 1.00 0.00 C ATOM 679 CG LYS A 44 8.516 7.326 6.722 1.00 0.00 C ATOM 680 CD LYS A 44 7.234 7.417 7.531 1.00 0.00 C ATOM 681 CE LYS A 44 6.522 6.075 7.601 1.00 0.00 C ATOM 682 NZ LYS A 44 6.252 5.662 9.006 1.00 0.00 N ATOM 0 H LYS A 44 6.138 8.159 4.087 1.00 0.00 H new ATOM 0 HA LYS A 44 7.582 9.598 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.666 7.023 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.256 7.759 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.889 6.302 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.281 7.953 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.463 7.762 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.572 8.158 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.582 6.134 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.130 5.315 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.256 4.624 9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.989 6.050 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.323 6.024 9.302 1.00 0.00 H new ATOM 696 N GLU A 45 8.425 9.835 2.952 1.00 0.00 N ATOM 697 CA GLU A 45 9.201 10.621 2.001 1.00 0.00 C ATOM 698 C GLU A 45 8.585 12.003 1.807 1.00 0.00 C ATOM 699 O GLU A 45 9.205 13.021 2.116 1.00 0.00 O ATOM 700 CB GLU A 45 9.287 9.896 0.656 1.00 0.00 C ATOM 701 CG GLU A 45 10.711 9.685 0.169 1.00 0.00 C ATOM 702 CD GLU A 45 11.227 8.289 0.463 1.00 0.00 C ATOM 703 OE1 GLU A 45 12.405 8.164 0.860 1.00 0.00 O ATOM 704 OE2 GLU A 45 10.454 7.322 0.296 1.00 0.00 O ATOM 0 H GLU A 45 7.814 9.139 2.525 1.00 0.00 H new ATOM 0 HA GLU A 45 10.206 10.743 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.794 8.928 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.737 10.468 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.754 9.866 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.365 10.417 0.642 1.00 0.00 H new ATOM 711 N GLY A 46 7.359 12.032 1.291 1.00 0.00 N ATOM 712 CA GLY A 46 6.680 13.294 1.064 1.00 0.00 C ATOM 713 C GLY A 46 7.411 14.175 0.071 1.00 0.00 C ATOM 714 O GLY A 46 7.903 15.248 0.426 1.00 0.00 O ATOM 0 H GLY A 46 6.825 11.204 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.671 13.100 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.580 13.825 2.011 1.00 0.00 H new ATOM 718 N LEU A 47 7.484 13.725 -1.177 1.00 0.00 N ATOM 719 CA LEU A 47 8.160 14.479 -2.225 1.00 0.00 C ATOM 720 C LEU A 47 7.159 15.264 -3.066 1.00 0.00 C ATOM 721 O LEU A 47 7.475 16.331 -3.589 1.00 0.00 O ATOM 722 CB LEU A 47 8.966 13.536 -3.120 1.00 0.00 C ATOM 723 CG LEU A 47 8.254 12.256 -3.559 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.813 11.762 -4.884 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.382 11.180 -2.490 1.00 0.00 C ATOM 0 H LEU A 47 7.082 12.840 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 47 8.838 15.187 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.268 14.084 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.878 13.258 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 47 7.196 12.480 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.294 10.850 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.669 12.526 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.878 11.555 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.869 10.276 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.436 10.958 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.933 11.534 -1.562 1.00 0.00 H new ATOM 737 N GLU A 48 5.948 14.728 -3.187 1.00 0.00 N ATOM 738 CA GLU A 48 4.900 15.379 -3.963 1.00 0.00 C ATOM 739 C GLU A 48 3.733 14.428 -4.209 1.00 0.00 C ATOM 740 O GLU A 48 2.599 14.858 -4.426 1.00 0.00 O ATOM 741 CB GLU A 48 5.457 15.877 -5.299 1.00 0.00 C ATOM 742 CG GLU A 48 6.495 14.949 -5.909 1.00 0.00 C ATOM 743 CD GLU A 48 6.649 15.149 -7.403 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.660 16.316 -7.848 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.759 14.139 -8.129 1.00 0.00 O ATOM 0 H GLU A 48 5.669 13.846 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 48 4.536 16.231 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.634 16.001 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.902 16.861 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.456 15.116 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.213 13.915 -5.712 1.00 0.00 H new ATOM 752 N THR A 49 4.019 13.130 -4.174 1.00 0.00 N ATOM 753 CA THR A 49 2.996 12.115 -4.394 1.00 0.00 C ATOM 754 C THR A 49 1.660 12.543 -3.797 1.00 0.00 C ATOM 755 O THR A 49 0.598 12.170 -4.295 1.00 0.00 O ATOM 756 CB THR A 49 3.407 10.761 -3.788 1.00 0.00 C ATOM 757 OG1 THR A 49 4.696 10.376 -4.278 1.00 0.00 O ATOM 758 CG2 THR A 49 2.387 9.684 -4.127 1.00 0.00 C ATOM 0 H THR A 49 4.951 12.757 -3.995 1.00 0.00 H new ATOM 0 HA THR A 49 2.889 12.003 -5.473 1.00 0.00 H new ATOM 0 HB THR A 49 3.449 10.871 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.651 9.465 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.699 8.736 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.413 9.966 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.317 9.577 -5.209 1.00 0.00 H new ATOM 766 N ALA A 50 1.721 13.328 -2.726 1.00 0.00 N ATOM 767 CA ALA A 50 0.515 13.808 -2.062 1.00 0.00 C ATOM 768 C ALA A 50 -0.335 12.647 -1.559 1.00 0.00 C ATOM 769 O ALA A 50 -1.474 12.837 -1.134 1.00 0.00 O ATOM 770 CB ALA A 50 -0.293 14.686 -3.006 1.00 0.00 C ATOM 0 H ALA A 50 2.592 13.645 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 50 0.817 14.402 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.191 15.037 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.309 15.542 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.577 14.109 -3.886 1.00 0.00 H new ATOM 776 N ILE A 51 0.227 11.443 -1.610 1.00 0.00 N ATOM 777 CA ILE A 51 -0.481 10.251 -1.159 1.00 0.00 C ATOM 778 C ILE A 51 -1.960 10.319 -1.522 1.00 0.00 C ATOM 779 O ILE A 51 -2.790 10.729 -0.711 1.00 0.00 O ATOM 780 CB ILE A 51 -0.344 10.058 0.363 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.124 9.867 0.745 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.176 8.869 0.822 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.020 10.996 0.286 1.00 0.00 C ATOM 0 H ILE A 51 1.169 11.268 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.025 9.401 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.716 10.952 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.200 9.771 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.484 8.931 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.069 8.745 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.224 9.043 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.831 7.967 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.046 10.793 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.974 11.078 -0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.686 11.931 0.735 1.00 0.00 H new ATOM 795 N SER A 52 -2.282 9.913 -2.746 1.00 0.00 N ATOM 796 CA SER A 52 -3.663 9.929 -3.218 1.00 0.00 C ATOM 797 C SER A 52 -4.309 8.558 -3.052 1.00 0.00 C ATOM 798 O SER A 52 -3.629 7.532 -3.057 1.00 0.00 O ATOM 799 CB SER A 52 -3.716 10.357 -4.685 1.00 0.00 C ATOM 800 OG SER A 52 -4.536 9.483 -5.442 1.00 0.00 O ATOM 0 H SER A 52 -1.607 9.569 -3.429 1.00 0.00 H new ATOM 0 HA SER A 52 -4.219 10.648 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.100 11.374 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.708 10.367 -5.101 1.00 0.00 H new ATOM 0 HG SER A 52 -4.555 9.779 -6.376 1.00 0.00 H new ATOM 806 N CYS A 53 -5.630 8.547 -2.904 1.00 0.00 N ATOM 807 CA CYS A 53 -6.372 7.304 -2.735 1.00 0.00 C ATOM 808 C CYS A 53 -5.731 6.175 -3.537 1.00 0.00 C ATOM 809 O CYS A 53 -5.328 6.350 -4.687 1.00 0.00 O ATOM 810 CB CYS A 53 -7.827 7.491 -3.169 1.00 0.00 C ATOM 811 SG CYS A 53 -8.817 5.962 -3.132 1.00 0.00 S ATOM 0 H CYS A 53 -6.209 9.387 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.347 7.035 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.296 8.231 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.844 7.898 -4.180 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.963 6.173 -3.709 1.00 0.00 H new ATOM 816 N PRO A 54 -5.635 4.990 -2.918 1.00 0.00 N ATOM 817 CA PRO A 54 -5.046 3.809 -3.556 1.00 0.00 C ATOM 818 C PRO A 54 -5.918 3.262 -4.681 1.00 0.00 C ATOM 819 O PRO A 54 -5.412 2.700 -5.653 1.00 0.00 O ATOM 820 CB PRO A 54 -4.952 2.797 -2.411 1.00 0.00 C ATOM 821 CG PRO A 54 -6.013 3.212 -1.451 1.00 0.00 C ATOM 822 CD PRO A 54 -6.096 4.711 -1.548 1.00 0.00 C ATOM 0 HA PRO A 54 -4.088 4.034 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.116 1.780 -2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.967 2.817 -1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.968 2.751 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.765 2.900 -0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.113 5.069 -1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.464 5.197 -0.805 1.00 0.00 H new ATOM 830 N ASP A 55 -7.228 3.428 -4.541 1.00 0.00 N ATOM 831 CA ASP A 55 -8.170 2.951 -5.547 1.00 0.00 C ATOM 832 C ASP A 55 -8.097 3.806 -6.809 1.00 0.00 C ATOM 833 O ASP A 55 -8.166 5.032 -6.745 1.00 0.00 O ATOM 834 CB ASP A 55 -9.595 2.966 -4.989 1.00 0.00 C ATOM 835 CG ASP A 55 -10.641 2.763 -6.067 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.594 3.567 -6.129 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.505 1.801 -6.851 1.00 0.00 O ATOM 0 H ASP A 55 -7.662 3.889 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.899 1.928 -5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.696 2.183 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.775 3.916 -4.486 1.00 0.00 H new ATOM 842 N ALA A 56 -7.954 3.148 -7.955 1.00 0.00 N ATOM 843 CA ALA A 56 -7.871 3.846 -9.231 1.00 0.00 C ATOM 844 C ALA A 56 -9.247 4.319 -9.689 1.00 0.00 C ATOM 845 O ALA A 56 -9.418 5.471 -10.084 1.00 0.00 O ATOM 846 CB ALA A 56 -7.242 2.947 -10.285 1.00 0.00 C ATOM 0 H ALA A 56 -7.893 2.132 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.240 4.725 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.186 3.482 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.238 2.663 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.850 2.051 -10.409 1.00 0.00 H new ATOM 852 N ALA A 57 -10.225 3.420 -9.632 1.00 0.00 N ATOM 853 CA ALA A 57 -11.586 3.746 -10.040 1.00 0.00 C ATOM 854 C ALA A 57 -12.095 4.985 -9.311 1.00 0.00 C ATOM 855 O ALA A 57 -12.860 5.774 -9.866 1.00 0.00 O ATOM 856 CB ALA A 57 -12.510 2.564 -9.786 1.00 0.00 C ATOM 0 H ALA A 57 -10.100 2.461 -9.307 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.577 3.963 -11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.523 2.821 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.164 1.702 -10.357 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.506 2.321 -8.724 1.00 0.00 H new ATOM 862 N CYS A 58 -11.669 5.149 -8.064 1.00 0.00 N ATOM 863 CA CYS A 58 -12.082 6.291 -7.257 1.00 0.00 C ATOM 864 C CYS A 58 -12.296 7.524 -8.129 1.00 0.00 C ATOM 865 O CYS A 58 -11.361 8.255 -8.456 1.00 0.00 O ATOM 866 CB CYS A 58 -11.034 6.589 -6.183 1.00 0.00 C ATOM 867 SG CYS A 58 -11.565 7.817 -4.946 1.00 0.00 S ATOM 0 H CYS A 58 -11.037 4.505 -7.589 1.00 0.00 H new ATOM 0 HA CYS A 58 -13.027 6.040 -6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.779 5.661 -5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.125 6.946 -6.667 1.00 0.00 H new ATOM 0 HG CYS A 58 -10.598 8.032 -4.105 1.00 0.00 H new ATOM 872 N PRO A 59 -13.558 7.762 -8.517 1.00 0.00 N ATOM 873 CA PRO A 59 -13.926 8.907 -9.356 1.00 0.00 C ATOM 874 C PRO A 59 -13.800 10.233 -8.615 1.00 0.00 C ATOM 875 O PRO A 59 -14.110 11.293 -9.160 1.00 0.00 O ATOM 876 CB PRO A 59 -15.389 8.630 -9.712 1.00 0.00 C ATOM 877 CG PRO A 59 -15.893 7.770 -8.604 1.00 0.00 C ATOM 878 CD PRO A 59 -14.723 6.933 -8.166 1.00 0.00 C ATOM 0 HA PRO A 59 -13.273 9.003 -10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.960 9.555 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.473 8.125 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.270 8.376 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.718 7.142 -8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.758 6.722 -7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.702 5.972 -8.680 1.00 0.00 H new ATOM 886 N LYS A 60 -13.341 10.168 -7.370 1.00 0.00 N ATOM 887 CA LYS A 60 -13.171 11.364 -6.553 1.00 0.00 C ATOM 888 C LYS A 60 -11.699 11.601 -6.234 1.00 0.00 C ATOM 889 O LYS A 60 -11.309 12.699 -5.840 1.00 0.00 O ATOM 890 CB LYS A 60 -13.972 11.238 -5.255 1.00 0.00 C ATOM 891 CG LYS A 60 -15.233 12.086 -5.234 1.00 0.00 C ATOM 892 CD LYS A 60 -15.636 12.449 -3.815 1.00 0.00 C ATOM 893 CE LYS A 60 -17.148 12.533 -3.670 1.00 0.00 C ATOM 894 NZ LYS A 60 -17.702 13.745 -4.335 1.00 0.00 N ATOM 0 H LYS A 60 -13.080 9.299 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.543 12.217 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.244 10.193 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.337 11.525 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.070 12.996 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.046 11.543 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.244 11.704 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.189 13.405 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.604 11.642 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.411 12.547 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.735 13.766 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.286 14.597 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.473 13.720 -5.349 1.00 0.00 H new ATOM 908 N GLN A 61 -10.886 10.563 -6.407 1.00 0.00 N ATOM 909 CA GLN A 61 -9.457 10.659 -6.136 1.00 0.00 C ATOM 910 C GLN A 61 -9.191 11.529 -4.912 1.00 0.00 C ATOM 911 O GLN A 61 -8.763 12.676 -5.034 1.00 0.00 O ATOM 912 CB GLN A 61 -8.724 11.231 -7.351 1.00 0.00 C ATOM 913 CG GLN A 61 -8.889 10.395 -8.610 1.00 0.00 C ATOM 914 CD GLN A 61 -8.158 10.982 -9.801 1.00 0.00 C ATOM 915 OE1 GLN A 61 -8.740 11.712 -10.603 1.00 0.00 O ATOM 916 NE2 GLN A 61 -6.874 10.666 -9.922 1.00 0.00 N ATOM 0 H GLN A 61 -11.193 9.647 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.084 9.655 -5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.090 12.240 -7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.663 11.316 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.520 9.387 -8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.949 10.307 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.432 10.057 -9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.330 11.032 -10.703 1.00 0.00 H new ATOM 925 N GLY A 62 -9.449 10.975 -3.732 1.00 0.00 N ATOM 926 CA GLY A 62 -9.232 11.715 -2.501 1.00 0.00 C ATOM 927 C GLY A 62 -7.800 11.621 -2.013 1.00 0.00 C ATOM 928 O GLY A 62 -7.223 10.533 -1.963 1.00 0.00 O ATOM 0 H GLY A 62 -9.804 10.027 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.491 12.762 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.901 11.335 -1.729 1.00 0.00 H new ATOM 932 N HIS A 63 -7.223 12.762 -1.652 1.00 0.00 N ATOM 933 CA HIS A 63 -5.849 12.805 -1.167 1.00 0.00 C ATOM 934 C HIS A 63 -5.797 12.556 0.338 1.00 0.00 C ATOM 935 O HIS A 63 -6.799 12.706 1.038 1.00 0.00 O ATOM 936 CB HIS A 63 -5.211 14.155 -1.495 1.00 0.00 C ATOM 937 CG HIS A 63 -5.064 14.407 -2.964 1.00 0.00 C ATOM 938 ND1 HIS A 63 -6.060 14.969 -3.734 1.00 0.00 N ATOM 939 CD2 HIS A 63 -4.028 14.172 -3.803 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.644 15.067 -4.985 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.414 14.591 -5.052 1.00 0.00 N ATOM 0 H HIS A 63 -7.686 13.670 -1.686 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.288 12.016 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.816 14.949 -1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.229 14.207 -1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.076 13.736 -3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.213 15.468 -5.811 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.843 14.542 -5.896 1.00 0.00 H new ATOM 949 N LEU A 64 -4.622 12.175 0.829 1.00 0.00 N ATOM 950 CA LEU A 64 -4.440 11.904 2.251 1.00 0.00 C ATOM 951 C LEU A 64 -3.491 12.918 2.880 1.00 0.00 C ATOM 952 O LEU A 64 -2.718 13.575 2.183 1.00 0.00 O ATOM 953 CB LEU A 64 -3.899 10.487 2.454 1.00 0.00 C ATOM 954 CG LEU A 64 -4.921 9.356 2.340 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.239 8.059 1.936 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.672 9.180 3.651 1.00 0.00 C ATOM 0 H LEU A 64 -3.782 12.047 0.264 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.410 11.990 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.110 10.312 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.437 10.434 3.440 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.641 9.621 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.982 7.265 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.749 8.191 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.496 7.789 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.395 8.371 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.966 8.939 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.194 10.104 3.898 1.00 0.00 H new ATOM 968 N GLN A 65 -3.554 13.039 4.203 1.00 0.00 N ATOM 969 CA GLN A 65 -2.699 13.973 4.926 1.00 0.00 C ATOM 970 C GLN A 65 -1.341 13.346 5.227 1.00 0.00 C ATOM 971 O GLN A 65 -1.187 12.125 5.179 1.00 0.00 O ATOM 972 CB GLN A 65 -3.372 14.410 6.228 1.00 0.00 C ATOM 973 CG GLN A 65 -4.837 14.015 6.318 1.00 0.00 C ATOM 974 CD GLN A 65 -5.028 12.586 6.789 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.085 12.227 7.307 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.002 11.762 6.612 1.00 0.00 N ATOM 0 H GLN A 65 -4.188 12.502 4.795 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.543 14.848 4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.834 13.973 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.290 15.493 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.350 14.691 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.303 14.137 5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.144 12.102 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.072 10.789 6.910 1.00 0.00 H new ATOM 985 N GLU A 66 -0.361 14.188 5.537 1.00 0.00 N ATOM 986 CA GLU A 66 0.983 13.716 5.845 1.00 0.00 C ATOM 987 C GLU A 66 1.147 13.478 7.344 1.00 0.00 C ATOM 988 O GLU A 66 1.942 12.640 7.766 1.00 0.00 O ATOM 989 CB GLU A 66 2.027 14.726 5.362 1.00 0.00 C ATOM 990 CG GLU A 66 2.647 14.364 4.022 1.00 0.00 C ATOM 991 CD GLU A 66 2.817 15.568 3.116 1.00 0.00 C ATOM 992 OE1 GLU A 66 3.951 15.801 2.646 1.00 0.00 O ATOM 993 OE2 GLU A 66 1.818 16.277 2.875 1.00 0.00 O ATOM 0 H GLU A 66 -0.473 15.201 5.581 1.00 0.00 H new ATOM 0 HA GLU A 66 1.135 12.770 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.562 15.709 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.817 14.806 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.619 13.899 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.021 13.624 3.524 1.00 0.00 H new ATOM 1000 N ASN A 67 0.388 14.223 8.141 1.00 0.00 N ATOM 1001 CA ASN A 67 0.449 14.094 9.592 1.00 0.00 C ATOM 1002 C ASN A 67 -0.565 13.069 10.090 1.00 0.00 C ATOM 1003 O ASN A 67 -0.203 12.093 10.747 1.00 0.00 O ATOM 1004 CB ASN A 67 0.190 15.448 10.257 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.013 15.328 11.755 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.916 15.535 12.536 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.231 14.991 12.162 1.00 0.00 N ATOM 0 H ASN A 67 -0.276 14.922 7.807 1.00 0.00 H new ATOM 0 HA ASN A 67 1.448 13.750 9.859 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.030 16.113 10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.692 15.907 9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.427 14.894 13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.971 14.829 11.478 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.835 13.297 9.773 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.902 12.395 10.189 1.00 0.00 C ATOM 1016 C GLU A 68 -2.527 10.943 9.901 1.00 0.00 C ATOM 1017 O GLU A 68 -2.736 10.060 10.733 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.208 12.748 9.475 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.270 13.320 10.398 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.176 12.252 10.979 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.686 11.434 11.786 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.374 12.233 10.626 1.00 0.00 O ATOM 0 H GLU A 68 -2.151 14.100 9.229 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.043 12.511 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.997 13.470 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.602 11.854 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.786 13.862 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.873 14.043 9.848 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.974 10.705 8.717 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.570 9.362 8.318 1.00 0.00 C ATOM 1031 C ILE A 69 -0.374 8.883 9.133 1.00 0.00 C ATOM 1032 O ILE A 69 -0.492 7.972 9.951 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.215 9.302 6.820 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.487 9.339 5.971 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.406 8.050 6.518 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.469 8.364 4.813 1.00 0.00 C ATOM 0 H ILE A 69 -1.795 11.425 8.017 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.421 8.707 8.507 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.608 10.172 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.345 9.120 6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.627 10.348 5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.163 8.021 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.515 8.062 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.990 7.168 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.402 8.445 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.631 8.596 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.361 7.348 5.194 1.00 0.00 H new ATOM 1048 N GLU A 70 0.778 9.507 8.904 1.00 0.00 N ATOM 1049 CA GLU A 70 1.997 9.143 9.618 1.00 0.00 C ATOM 1050 C GLU A 70 1.714 8.921 11.101 1.00 0.00 C ATOM 1051 O GLU A 70 2.443 8.199 11.781 1.00 0.00 O ATOM 1052 CB GLU A 70 3.058 10.234 9.449 1.00 0.00 C ATOM 1053 CG GLU A 70 2.920 11.376 10.442 1.00 0.00 C ATOM 1054 CD GLU A 70 3.981 12.443 10.255 1.00 0.00 C ATOM 1055 OE1 GLU A 70 5.069 12.112 9.737 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.725 13.607 10.625 1.00 0.00 O ATOM 0 H GLU A 70 0.893 10.265 8.231 1.00 0.00 H new ATOM 0 HA GLU A 70 2.371 8.211 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.047 9.788 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.997 10.634 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.934 11.827 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.982 10.981 11.456 1.00 0.00 H new ATOM 1063 N CYS A 71 0.650 9.545 11.594 1.00 0.00 N ATOM 1064 CA CYS A 71 0.270 9.417 12.996 1.00 0.00 C ATOM 1065 C CYS A 71 -0.243 8.011 13.294 1.00 0.00 C ATOM 1066 O CYS A 71 0.084 7.428 14.327 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.803 10.448 13.351 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.616 10.150 14.938 1.00 0.00 S ATOM 0 H CYS A 71 0.035 10.145 11.044 1.00 0.00 H new ATOM 0 HA CYS A 71 1.156 9.599 13.605 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.348 11.439 13.368 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.557 10.457 12.564 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.505 11.075 15.151 1.00 0.00 H new ATOM 1074 N MET A 72 -1.046 7.474 12.381 1.00 0.00 N ATOM 1075 CA MET A 72 -1.602 6.135 12.547 1.00 0.00 C ATOM 1076 C MET A 72 -0.552 5.069 12.252 1.00 0.00 C ATOM 1077 O MET A 72 -0.852 3.875 12.240 1.00 0.00 O ATOM 1078 CB MET A 72 -2.812 5.946 11.630 1.00 0.00 C ATOM 1079 CG MET A 72 -2.459 5.362 10.272 1.00 0.00 C ATOM 1080 SD MET A 72 -3.694 5.734 9.013 1.00 0.00 S ATOM 1081 CE MET A 72 -3.030 4.838 7.611 1.00 0.00 C ATOM 0 H MET A 72 -1.326 7.944 11.520 1.00 0.00 H new ATOM 0 HA MET A 72 -1.921 6.026 13.584 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.532 5.292 12.122 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.303 6.909 11.486 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.492 5.752 9.953 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.352 4.281 10.362 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.251 5.383 6.693 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.950 4.737 7.722 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.484 3.848 7.564 1.00 0.00 H new ATOM 1091 N VAL A 73 0.679 5.508 12.012 1.00 0.00 N ATOM 1092 CA VAL A 73 1.774 4.591 11.717 1.00 0.00 C ATOM 1093 C VAL A 73 3.049 5.006 12.442 1.00 0.00 C ATOM 1094 O VAL A 73 3.456 4.373 13.415 1.00 0.00 O ATOM 1095 CB VAL A 73 2.055 4.522 10.204 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.287 3.372 9.570 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.702 5.842 9.536 1.00 0.00 C ATOM 0 H VAL A 73 0.943 6.493 12.016 1.00 0.00 H new ATOM 0 HA VAL A 73 1.466 3.606 12.067 1.00 0.00 H new ATOM 0 HB VAL A 73 3.120 4.340 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.498 3.339 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.594 2.432 10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.218 3.519 9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.907 5.775 8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.644 6.056 9.690 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.301 6.642 9.971 1.00 0.00 H new ATOM 1107 N ALA A 74 3.676 6.075 11.960 1.00 0.00 N ATOM 1108 CA ALA A 74 4.903 6.577 12.564 1.00 0.00 C ATOM 1109 C ALA A 74 4.600 7.521 13.722 1.00 0.00 C ATOM 1110 O ALA A 74 5.218 8.576 13.854 1.00 0.00 O ATOM 1111 CB ALA A 74 5.757 7.279 11.518 1.00 0.00 C ATOM 0 H ALA A 74 3.354 6.609 11.153 1.00 0.00 H new ATOM 0 HA ALA A 74 5.458 5.726 12.960 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.671 7.649 11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.012 6.576 10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.200 8.115 11.096 1.00 0.00 H new ATOM 1117 N ALA A 75 3.644 7.133 14.560 1.00 0.00 N ATOM 1118 CA ALA A 75 3.260 7.944 15.710 1.00 0.00 C ATOM 1119 C ALA A 75 4.485 8.386 16.503 1.00 0.00 C ATOM 1120 O ALA A 75 4.521 9.523 16.970 1.00 0.00 O ATOM 1121 CB ALA A 75 2.299 7.173 16.603 1.00 0.00 C ATOM 0 H ALA A 75 3.121 6.262 14.464 1.00 0.00 H new ATOM 0 HA ALA A 75 2.757 8.838 15.342 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.021 7.791 17.457 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.405 6.913 16.036 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.782 6.262 16.956 1.00 0.00 H new