USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 629 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 75 ASN : amide:sc= -11.2! C(o=-18!,f=-7.9!) USER MOD Set 1.2: A 77 THR OG1 : rot -38:sc= -6.85! USER MOD Set 2.1: A 8 CYS SG : rot 150:sc= -3.6 USER MOD Set 2.2: A 10 HIS : no HD1:sc= -3.32! C(o=-26!,f=-30!) USER MOD Set 2.3: A 71 ASN : amide:sc= -6.96! C(o=-26!,f=-26!) USER MOD Set 2.4: A 83 CYS SG : rot 12:sc= -6.24! USER MOD Set 2.5: A 86 CYS SG : rot 76:sc= -6.15! USER MOD Set 3.1: A 43 CYS SG : rot 146:sc= -1.2 USER MOD Set 3.2: A 48 CYS SG : rot 166:sc= 0.288 USER MOD Set 3.3: A 64 HIS : no HE2:sc= -3.37! K(o=-6.7!,f=-7.5) USER MOD Set 3.4: A 70 HIS : no HD1:sc= -2.42 K(o=-6.7,f=-7.5) USER MOD Set 4.1: A 61 SER OG : rot 145:sc= 0.0826 USER MOD Set 4.2: A 73 THR OG1 : rot 123:sc= 1.24 USER MOD Set 5.1: A 39 ASN : amide:sc= -0.663 K(o=-2.5,f=-1.9) USER MOD Set 5.2: A 56 SER OG : rot -140:sc= -1.81 USER MOD Set 6.1: A 30 CYS SG : rot -154:sc= -1.22! USER MOD Set 6.2: A 33 CYS SG : rot -149:sc= -0.226 USER MOD Set 6.3: A 53 CYS SG : rot -114:sc= 1.42 USER MOD Set 6.4: A 60 HIS : no HE2:sc= -3.58! K(o=-3.6!,f=-1.7) USER MOD Set 7.1: A 31 GLN : amide:sc= -4.62! C(o=-5.9!,f=-7.1!) USER MOD Set 7.2: A 32 SER OG : rot 6:sc= -1.31! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 1.28 (180deg=0.459) USER MOD Single : A 26 SER OG : rot -49:sc= -0.772 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.817! USER MOD Single : A 45 GLN : amide:sc= -9.51! K(o=-9.5!,f=-3.5) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -140:sc= -4.88! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 142:sc= -0.0607 (180deg=-0.854) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= -0.0475 (180deg=-1) USER MOD Single : A 78 THR OG1 : rot -100:sc= -2.8! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.462 1.038 4.509 1.00 0.00 N ATOM 85 CA LEU A 7 12.284 0.203 3.288 1.00 0.00 C ATOM 86 C LEU A 7 11.927 -1.232 3.697 1.00 0.00 C ATOM 87 O LEU A 7 12.191 -1.654 4.805 1.00 0.00 O ATOM 88 CB LEU A 7 13.582 0.255 2.444 1.00 0.00 C ATOM 89 CG LEU A 7 14.495 -0.974 2.669 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.702 -1.247 4.169 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.904 -2.218 1.977 1.00 0.00 C ATOM 0 HA LEU A 7 11.467 0.588 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.320 0.319 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.134 1.162 2.691 1.00 0.00 H new ATOM 0 HG LEU A 7 15.467 -0.753 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.348 -2.116 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.167 -0.379 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.738 -1.440 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.558 -3.073 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.917 -2.429 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.818 -2.032 0.906 1.00 0.00 H new ATOM 103 N CYS A 8 11.320 -1.978 2.810 1.00 0.00 N ATOM 104 CA CYS A 8 10.939 -3.387 3.134 1.00 0.00 C ATOM 105 C CYS A 8 11.480 -4.311 2.033 1.00 0.00 C ATOM 106 O CYS A 8 11.766 -3.878 0.936 1.00 0.00 O ATOM 107 CB CYS A 8 9.403 -3.511 3.233 1.00 0.00 C ATOM 108 SG CYS A 8 8.801 -4.806 2.103 1.00 0.00 S ATOM 0 H CYS A 8 11.070 -1.671 1.870 1.00 0.00 H new ATOM 0 HA CYS A 8 11.367 -3.675 4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.116 -3.750 4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.937 -2.557 2.985 1.00 0.00 H new ATOM 0 HG CYS A 8 7.721 -5.340 2.591 1.00 0.00 H new ATOM 113 N PRO A 9 11.623 -5.571 2.333 1.00 0.00 N ATOM 114 CA PRO A 9 12.144 -6.590 1.366 1.00 0.00 C ATOM 115 C PRO A 9 11.300 -6.657 0.090 1.00 0.00 C ATOM 116 O PRO A 9 11.794 -6.522 -1.011 1.00 0.00 O ATOM 117 CB PRO A 9 12.029 -7.912 2.144 1.00 0.00 C ATOM 118 CG PRO A 9 11.043 -7.630 3.226 1.00 0.00 C ATOM 119 CD PRO A 9 11.294 -6.185 3.621 1.00 0.00 C ATOM 0 HA PRO A 9 13.156 -6.358 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.689 -8.722 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.992 -8.215 2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.021 -7.771 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.184 -8.301 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.416 -5.729 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.111 -6.094 4.337 1.00 0.00 H new ATOM 127 N HIS A 10 10.027 -6.875 0.246 1.00 0.00 N ATOM 128 CA HIS A 10 9.121 -6.965 -0.939 1.00 0.00 C ATOM 129 C HIS A 10 8.915 -5.571 -1.525 1.00 0.00 C ATOM 130 O HIS A 10 8.202 -5.387 -2.491 1.00 0.00 O ATOM 131 CB HIS A 10 7.769 -7.563 -0.515 1.00 0.00 C ATOM 132 CG HIS A 10 8.005 -8.629 0.516 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.106 -8.347 1.877 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.169 -9.987 0.398 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.323 -9.519 2.507 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.369 -10.541 1.653 1.00 0.00 N ATOM 0 H HIS A 10 9.568 -6.996 1.149 1.00 0.00 H new ATOM 0 HA HIS A 10 9.571 -7.610 -1.694 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.124 -6.784 -0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.256 -7.983 -1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.146 -10.539 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.445 -9.618 3.576 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.520 -11.525 1.876 1.00 0.00 H new ATOM 144 N LEU A 11 9.543 -4.591 -0.946 1.00 0.00 N ATOM 145 CA LEU A 11 9.402 -3.203 -1.458 1.00 0.00 C ATOM 146 C LEU A 11 10.049 -3.103 -2.841 1.00 0.00 C ATOM 147 O LEU A 11 9.567 -2.411 -3.715 1.00 0.00 O ATOM 148 CB LEU A 11 10.099 -2.252 -0.481 1.00 0.00 C ATOM 149 CG LEU A 11 9.711 -0.797 -0.783 1.00 0.00 C ATOM 150 CD1 LEU A 11 10.104 0.087 0.404 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.430 -0.300 -2.049 1.00 0.00 C ATOM 0 H LEU A 11 10.152 -4.692 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 11 8.349 -2.935 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.822 -2.504 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.180 -2.370 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 11 8.635 -0.745 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.830 1.121 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.582 -0.252 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.180 0.022 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.144 0.733 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.508 -0.355 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.148 -0.925 -2.897 1.00 0.00 H new ATOM 163 N ASP A 12 11.136 -3.790 -3.049 1.00 0.00 N ATOM 164 CA ASP A 12 11.813 -3.734 -4.375 1.00 0.00 C ATOM 165 C ASP A 12 11.064 -4.611 -5.381 1.00 0.00 C ATOM 166 O ASP A 12 11.193 -4.446 -6.578 1.00 0.00 O ATOM 167 CB ASP A 12 13.245 -4.249 -4.230 1.00 0.00 C ATOM 168 CG ASP A 12 13.959 -4.164 -5.580 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.199 -3.058 -6.034 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.256 -5.209 -6.137 1.00 0.00 O ATOM 0 H ASP A 12 11.586 -4.389 -2.357 1.00 0.00 H new ATOM 0 HA ASP A 12 11.821 -2.704 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.781 -3.660 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.238 -5.280 -3.875 1.00 0.00 H new ATOM 175 N SER A 13 10.293 -5.552 -4.909 1.00 0.00 N ATOM 176 CA SER A 13 9.551 -6.446 -5.844 1.00 0.00 C ATOM 177 C SER A 13 8.291 -5.744 -6.361 1.00 0.00 C ATOM 178 O SER A 13 7.715 -6.144 -7.353 1.00 0.00 O ATOM 179 CB SER A 13 9.151 -7.726 -5.110 1.00 0.00 C ATOM 180 OG SER A 13 8.693 -8.685 -6.054 1.00 0.00 O ATOM 0 H SER A 13 10.145 -5.741 -3.918 1.00 0.00 H new ATOM 0 HA SER A 13 10.195 -6.688 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.002 -8.122 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.368 -7.512 -4.382 1.00 0.00 H new ATOM 0 HG SER A 13 8.437 -9.508 -5.587 1.00 0.00 H new ATOM 186 N ILE A 14 7.852 -4.709 -5.698 1.00 0.00 N ATOM 187 CA ILE A 14 6.621 -3.998 -6.156 1.00 0.00 C ATOM 188 C ILE A 14 6.996 -2.816 -7.058 1.00 0.00 C ATOM 189 O ILE A 14 6.158 -2.251 -7.730 1.00 0.00 O ATOM 190 CB ILE A 14 5.871 -3.472 -4.938 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.827 -2.649 -4.072 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.329 -4.652 -4.124 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.028 -1.693 -3.184 1.00 0.00 C ATOM 0 H ILE A 14 8.290 -4.325 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 14 5.996 -4.692 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 14 5.041 -2.844 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.435 -3.311 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.512 -2.085 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.792 -4.277 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.651 -5.240 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.158 -5.280 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.713 -1.109 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.440 -1.022 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.361 -2.266 -2.540 1.00 0.00 H new ATOM 205 N GLY A 15 8.241 -2.428 -7.073 1.00 0.00 N ATOM 206 CA GLY A 15 8.648 -1.275 -7.930 1.00 0.00 C ATOM 207 C GLY A 15 7.798 -0.051 -7.576 1.00 0.00 C ATOM 208 O GLY A 15 7.424 0.145 -6.437 1.00 0.00 O ATOM 0 H GLY A 15 8.993 -2.856 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.705 -1.053 -7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.520 -1.528 -8.983 1.00 0.00 H new ATOM 212 N GLU A 16 7.486 0.774 -8.545 1.00 0.00 N ATOM 213 CA GLU A 16 6.657 1.986 -8.266 1.00 0.00 C ATOM 214 C GLU A 16 5.566 2.117 -9.333 1.00 0.00 C ATOM 215 O GLU A 16 5.836 2.129 -10.517 1.00 0.00 O ATOM 216 CB GLU A 16 7.549 3.238 -8.282 1.00 0.00 C ATOM 217 CG GLU A 16 6.687 4.504 -8.446 1.00 0.00 C ATOM 218 CD GLU A 16 6.499 4.823 -9.935 1.00 0.00 C ATOM 219 OE1 GLU A 16 7.043 4.101 -10.753 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.815 5.790 -10.229 1.00 0.00 O ATOM 0 H GLU A 16 7.770 0.660 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 16 6.193 1.888 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.122 3.297 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.268 3.171 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.717 4.357 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.163 5.346 -7.943 1.00 0.00 H new ATOM 227 N VAL A 17 4.333 2.225 -8.917 1.00 0.00 N ATOM 228 CA VAL A 17 3.218 2.368 -9.895 1.00 0.00 C ATOM 229 C VAL A 17 3.005 3.856 -10.181 1.00 0.00 C ATOM 230 O VAL A 17 3.788 4.689 -9.772 1.00 0.00 O ATOM 231 CB VAL A 17 1.939 1.772 -9.304 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.071 0.250 -9.229 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.719 2.333 -7.897 1.00 0.00 C ATOM 0 H VAL A 17 4.050 2.220 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 17 3.463 1.843 -10.818 1.00 0.00 H new ATOM 0 HB VAL A 17 1.091 2.032 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.159 -0.174 -8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.229 -0.151 -10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.919 -0.011 -8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.808 1.909 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.568 2.072 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.625 3.418 -7.948 1.00 0.00 H new ATOM 243 N THR A 18 1.953 4.205 -10.870 1.00 0.00 N ATOM 244 CA THR A 18 1.716 5.647 -11.156 1.00 0.00 C ATOM 245 C THR A 18 1.470 6.368 -9.833 1.00 0.00 C ATOM 246 O THR A 18 0.678 5.940 -9.020 1.00 0.00 O ATOM 247 CB THR A 18 0.491 5.792 -12.076 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.125 4.523 -12.241 1.00 0.00 O ATOM 249 CG2 THR A 18 0.927 6.325 -13.443 1.00 0.00 C ATOM 0 H THR A 18 1.255 3.562 -11.243 1.00 0.00 H new ATOM 0 HA THR A 18 2.581 6.083 -11.656 1.00 0.00 H new ATOM 0 HB THR A 18 -0.215 6.490 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.907 4.612 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.055 6.425 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.401 7.299 -13.320 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.636 5.631 -13.895 1.00 0.00 H new ATOM 257 N LYS A 19 2.136 7.463 -9.613 1.00 0.00 N ATOM 258 CA LYS A 19 1.926 8.209 -8.343 1.00 0.00 C ATOM 259 C LYS A 19 0.452 8.571 -8.283 1.00 0.00 C ATOM 260 O LYS A 19 -0.256 8.211 -7.365 1.00 0.00 O ATOM 261 CB LYS A 19 2.797 9.477 -8.327 1.00 0.00 C ATOM 262 CG LYS A 19 3.766 9.455 -9.517 1.00 0.00 C ATOM 263 CD LYS A 19 5.050 10.218 -9.165 1.00 0.00 C ATOM 264 CE LYS A 19 6.069 9.250 -8.552 1.00 0.00 C ATOM 265 NZ LYS A 19 7.156 10.027 -7.890 1.00 0.00 N ATOM 0 H LYS A 19 2.815 7.874 -10.254 1.00 0.00 H new ATOM 0 HA LYS A 19 2.209 7.606 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.166 10.364 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.355 9.535 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.006 8.425 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.293 9.906 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.466 10.683 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.827 11.021 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.579 8.600 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.487 8.606 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.848 9.371 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.630 10.630 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.750 10.623 -7.141 1.00 0.00 H new ATOM 279 N GLU A 20 -0.020 9.252 -9.289 1.00 0.00 N ATOM 280 CA GLU A 20 -1.454 9.606 -9.340 1.00 0.00 C ATOM 281 C GLU A 20 -2.256 8.368 -8.957 1.00 0.00 C ATOM 282 O GLU A 20 -3.291 8.454 -8.339 1.00 0.00 O ATOM 283 CB GLU A 20 -1.811 10.052 -10.755 1.00 0.00 C ATOM 284 CG GLU A 20 -3.329 10.016 -10.958 1.00 0.00 C ATOM 285 CD GLU A 20 -3.651 10.224 -12.438 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.566 9.262 -13.183 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.978 11.342 -12.802 1.00 0.00 O ATOM 0 H GLU A 20 0.535 9.578 -10.081 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.679 10.421 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.438 11.061 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.325 9.402 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.729 9.061 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.805 10.792 -10.359 1.00 0.00 H new ATOM 294 N ASP A 21 -1.771 7.209 -9.303 1.00 0.00 N ATOM 295 CA ASP A 21 -2.508 5.972 -8.930 1.00 0.00 C ATOM 296 C ASP A 21 -2.731 6.003 -7.422 1.00 0.00 C ATOM 297 O ASP A 21 -3.789 5.672 -6.928 1.00 0.00 O ATOM 298 CB ASP A 21 -1.689 4.732 -9.317 1.00 0.00 C ATOM 299 CG ASP A 21 -2.624 3.534 -9.513 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.721 3.736 -10.005 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.223 2.434 -9.169 1.00 0.00 O ATOM 0 H ASP A 21 -0.905 7.066 -9.823 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.462 5.924 -9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.132 4.924 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.957 4.511 -8.540 1.00 0.00 H new ATOM 306 N LEU A 22 -1.743 6.434 -6.692 1.00 0.00 N ATOM 307 CA LEU A 22 -1.889 6.525 -5.216 1.00 0.00 C ATOM 308 C LEU A 22 -2.798 7.703 -4.901 1.00 0.00 C ATOM 309 O LEU A 22 -3.400 7.786 -3.848 1.00 0.00 O ATOM 310 CB LEU A 22 -0.516 6.733 -4.570 1.00 0.00 C ATOM 311 CG LEU A 22 0.532 5.908 -5.320 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.876 6.011 -4.598 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.093 4.443 -5.369 1.00 0.00 C ATOM 0 H LEU A 22 -0.837 6.728 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.319 5.605 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.248 7.789 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.547 6.435 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 22 0.633 6.291 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.622 5.423 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.192 7.054 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.773 5.630 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.841 3.857 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.010 4.060 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.864 4.367 -5.885 1.00 0.00 H new ATOM 325 N LEU A 23 -2.901 8.610 -5.824 1.00 0.00 N ATOM 326 CA LEU A 23 -3.766 9.796 -5.624 1.00 0.00 C ATOM 327 C LEU A 23 -5.220 9.398 -5.889 1.00 0.00 C ATOM 328 O LEU A 23 -6.071 9.565 -5.038 1.00 0.00 O ATOM 329 CB LEU A 23 -3.298 10.887 -6.592 1.00 0.00 C ATOM 330 CG LEU A 23 -1.789 11.130 -6.390 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.360 12.386 -7.166 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.486 11.334 -4.899 1.00 0.00 C ATOM 0 H LEU A 23 -2.416 8.579 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.700 10.174 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.496 10.586 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.854 11.808 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.239 10.263 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.293 12.556 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.565 12.246 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.917 13.248 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.418 11.505 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.041 12.196 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.784 10.445 -4.342 1.00 0.00 H new ATOM 344 N LEU A 24 -5.525 8.842 -7.034 1.00 0.00 N ATOM 345 CA LEU A 24 -6.931 8.421 -7.264 1.00 0.00 C ATOM 346 C LEU A 24 -7.272 7.379 -6.218 1.00 0.00 C ATOM 347 O LEU A 24 -8.311 7.435 -5.614 1.00 0.00 O ATOM 348 CB LEU A 24 -7.133 7.839 -8.669 1.00 0.00 C ATOM 349 CG LEU A 24 -6.321 6.549 -8.865 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.205 5.324 -8.597 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.825 6.484 -10.313 1.00 0.00 C ATOM 0 H LEU A 24 -4.875 8.666 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.585 9.290 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.191 7.632 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.835 8.575 -9.416 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.480 6.551 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.620 4.415 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.577 5.360 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.047 5.325 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.248 5.571 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.679 6.486 -10.991 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.195 7.349 -10.521 1.00 0.00 H new ATOM 363 N LYS A 25 -6.392 6.442 -5.967 1.00 0.00 N ATOM 364 CA LYS A 25 -6.690 5.429 -4.920 1.00 0.00 C ATOM 365 C LYS A 25 -7.182 6.184 -3.686 1.00 0.00 C ATOM 366 O LYS A 25 -8.168 5.830 -3.070 1.00 0.00 O ATOM 367 CB LYS A 25 -5.418 4.638 -4.594 1.00 0.00 C ATOM 368 CG LYS A 25 -5.182 3.576 -5.676 1.00 0.00 C ATOM 369 CD LYS A 25 -3.738 3.067 -5.606 1.00 0.00 C ATOM 370 CE LYS A 25 -3.616 1.756 -6.388 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.274 1.155 -6.145 1.00 0.00 N ATOM 0 H LYS A 25 -5.493 6.338 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.448 4.723 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.563 5.312 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.513 4.162 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.876 2.746 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.380 3.999 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.059 3.813 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.447 2.911 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.398 1.062 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.756 1.941 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.848 0.878 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.662 1.851 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.374 0.315 -5.539 1.00 0.00 H new ATOM 385 N SER A 26 -6.510 7.251 -3.351 1.00 0.00 N ATOM 386 CA SER A 26 -6.924 8.085 -2.195 1.00 0.00 C ATOM 387 C SER A 26 -8.239 8.791 -2.548 1.00 0.00 C ATOM 388 O SER A 26 -8.660 9.713 -1.877 1.00 0.00 O ATOM 389 CB SER A 26 -5.841 9.140 -1.930 1.00 0.00 C ATOM 390 OG SER A 26 -5.931 9.583 -0.582 1.00 0.00 O ATOM 0 H SER A 26 -5.678 7.583 -3.840 1.00 0.00 H new ATOM 0 HA SER A 26 -7.059 7.464 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.854 8.719 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.965 9.983 -2.610 1.00 0.00 H new ATOM 0 HG SER A 26 -6.860 9.816 -0.376 1.00 0.00 H new ATOM 396 N LYS A 27 -8.869 8.393 -3.626 1.00 0.00 N ATOM 397 CA LYS A 27 -10.128 9.073 -4.048 1.00 0.00 C ATOM 398 C LYS A 27 -11.081 9.222 -2.858 1.00 0.00 C ATOM 399 O LYS A 27 -11.576 10.301 -2.601 1.00 0.00 O ATOM 400 CB LYS A 27 -10.814 8.293 -5.183 1.00 0.00 C ATOM 401 CG LYS A 27 -10.644 6.776 -4.993 1.00 0.00 C ATOM 402 CD LYS A 27 -11.924 6.056 -5.422 1.00 0.00 C ATOM 403 CE LYS A 27 -12.122 6.249 -6.927 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.351 5.527 -7.363 1.00 0.00 N ATOM 0 H LYS A 27 -8.565 7.629 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.871 10.066 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.875 8.543 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.391 8.592 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.799 6.418 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.422 6.553 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.857 4.994 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.780 6.452 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.209 7.310 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.255 5.873 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.486 5.658 -8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.251 4.513 -7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.175 5.906 -6.854 1.00 0.00 H new ATOM 418 N GLY A 28 -11.340 8.177 -2.110 1.00 0.00 N ATOM 419 CA GLY A 28 -12.250 8.336 -0.944 1.00 0.00 C ATOM 420 C GLY A 28 -13.129 7.106 -0.769 1.00 0.00 C ATOM 421 O GLY A 28 -14.040 7.111 0.029 1.00 0.00 O ATOM 0 H GLY A 28 -10.966 7.239 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.664 8.500 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.875 9.218 -1.083 1.00 0.00 H new ATOM 425 N THR A 29 -12.894 6.056 -1.503 1.00 0.00 N ATOM 426 CA THR A 29 -13.760 4.862 -1.328 1.00 0.00 C ATOM 427 C THR A 29 -13.078 3.595 -1.866 1.00 0.00 C ATOM 428 O THR A 29 -12.321 3.633 -2.816 1.00 0.00 O ATOM 429 CB THR A 29 -15.070 5.102 -2.081 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.952 6.280 -2.864 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.230 5.262 -1.093 1.00 0.00 C ATOM 0 H THR A 29 -12.156 5.973 -2.202 1.00 0.00 H new ATOM 0 HA THR A 29 -13.949 4.712 -0.265 1.00 0.00 H new ATOM 0 HB THR A 29 -15.271 4.246 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.789 6.436 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.156 5.432 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.325 4.356 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.036 6.111 -0.438 1.00 0.00 H new ATOM 439 N CYS A 30 -13.387 2.468 -1.281 1.00 0.00 N ATOM 440 CA CYS A 30 -12.816 1.174 -1.762 1.00 0.00 C ATOM 441 C CYS A 30 -13.324 0.942 -3.184 1.00 0.00 C ATOM 442 O CYS A 30 -14.464 1.232 -3.490 1.00 0.00 O ATOM 443 CB CYS A 30 -13.301 0.030 -0.859 1.00 0.00 C ATOM 444 SG CYS A 30 -12.600 -1.540 -1.438 1.00 0.00 S ATOM 0 H CYS A 30 -14.017 2.387 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.727 1.206 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -13.002 0.215 0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.390 -0.020 -0.871 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.381 -2.519 -1.089 1.00 0.00 H new ATOM 449 N GLN A 31 -12.507 0.439 -4.065 1.00 0.00 N ATOM 450 CA GLN A 31 -12.995 0.225 -5.457 1.00 0.00 C ATOM 451 C GLN A 31 -13.861 -1.034 -5.523 1.00 0.00 C ATOM 452 O GLN A 31 -14.562 -1.258 -6.490 1.00 0.00 O ATOM 453 CB GLN A 31 -11.817 0.090 -6.427 1.00 0.00 C ATOM 454 CG GLN A 31 -10.817 -0.959 -5.929 1.00 0.00 C ATOM 455 CD GLN A 31 -11.388 -2.362 -6.143 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.292 -2.550 -6.933 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.892 -3.362 -5.469 1.00 0.00 N ATOM 0 H GLN A 31 -11.539 0.170 -3.888 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.592 1.090 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.184 -0.191 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.317 1.053 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.872 -0.856 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.605 -0.800 -4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.133 -3.204 -4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.263 -4.302 -5.605 1.00 0.00 H new ATOM 466 N SER A 32 -13.823 -1.857 -4.509 1.00 0.00 N ATOM 467 CA SER A 32 -14.652 -3.099 -4.524 1.00 0.00 C ATOM 468 C SER A 32 -15.730 -3.022 -3.440 1.00 0.00 C ATOM 469 O SER A 32 -16.653 -3.811 -3.421 1.00 0.00 O ATOM 470 CB SER A 32 -13.758 -4.312 -4.264 1.00 0.00 C ATOM 471 OG SER A 32 -12.958 -4.559 -5.413 1.00 0.00 O ATOM 0 H SER A 32 -13.255 -1.724 -3.672 1.00 0.00 H new ATOM 0 HA SER A 32 -15.130 -3.196 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.123 -4.132 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.368 -5.186 -4.036 1.00 0.00 H new ATOM 0 HG SER A 32 -13.100 -3.846 -6.070 1.00 0.00 H new ATOM 477 N CYS A 33 -15.622 -2.083 -2.532 1.00 0.00 N ATOM 478 CA CYS A 33 -16.646 -1.970 -1.448 1.00 0.00 C ATOM 479 C CYS A 33 -17.209 -0.549 -1.394 1.00 0.00 C ATOM 480 O CYS A 33 -18.280 -0.325 -0.864 1.00 0.00 O ATOM 481 CB CYS A 33 -16.005 -2.304 -0.098 1.00 0.00 C ATOM 482 SG CYS A 33 -15.184 -3.908 -0.196 1.00 0.00 S ATOM 0 H CYS A 33 -14.872 -1.393 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.455 -2.669 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.285 -1.532 0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.766 -2.321 0.683 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.223 -4.487 0.967 1.00 0.00 H new ATOM 487 N GLY A 34 -16.505 0.422 -1.913 1.00 0.00 N ATOM 488 CA GLY A 34 -17.035 1.814 -1.848 1.00 0.00 C ATOM 489 C GLY A 34 -17.395 2.124 -0.394 1.00 0.00 C ATOM 490 O GLY A 34 -18.549 2.262 -0.041 1.00 0.00 O ATOM 0 H GLY A 34 -15.600 0.315 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.290 2.521 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.913 1.916 -2.486 1.00 0.00 H new ATOM 494 N VAL A 35 -16.406 2.192 0.457 1.00 0.00 N ATOM 495 CA VAL A 35 -16.663 2.445 1.907 1.00 0.00 C ATOM 496 C VAL A 35 -16.339 3.894 2.295 1.00 0.00 C ATOM 497 O VAL A 35 -17.137 4.550 2.931 1.00 0.00 O ATOM 498 CB VAL A 35 -15.793 1.485 2.727 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.118 0.042 2.323 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.316 1.779 2.451 1.00 0.00 C ATOM 0 H VAL A 35 -15.423 2.082 0.209 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.721 2.279 2.110 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.994 1.619 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.502 -0.646 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.171 -0.162 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.912 -0.094 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.695 1.098 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.110 1.641 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.091 2.807 2.734 1.00 0.00 H new ATOM 510 N THR A 36 -15.182 4.401 1.941 1.00 0.00 N ATOM 511 CA THR A 36 -14.831 5.801 2.324 1.00 0.00 C ATOM 512 C THR A 36 -13.331 6.008 2.124 1.00 0.00 C ATOM 513 O THR A 36 -12.638 5.136 1.650 1.00 0.00 O ATOM 514 CB THR A 36 -15.175 6.059 3.798 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.549 7.263 4.218 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.674 4.901 4.665 1.00 0.00 C ATOM 0 H THR A 36 -14.469 3.906 1.405 1.00 0.00 H new ATOM 0 HA THR A 36 -15.400 6.491 1.701 1.00 0.00 H new ATOM 0 HB THR A 36 -16.257 6.143 3.905 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.766 7.434 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.923 5.094 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.149 3.974 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.593 4.810 4.561 1.00 0.00 H new ATOM 524 N GLY A 37 -12.830 7.163 2.473 1.00 0.00 N ATOM 525 CA GLY A 37 -11.376 7.443 2.296 1.00 0.00 C ATOM 526 C GLY A 37 -10.598 7.069 3.556 1.00 0.00 C ATOM 527 O GLY A 37 -9.769 6.183 3.542 1.00 0.00 O ATOM 0 H GLY A 37 -13.370 7.929 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.993 6.880 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.228 8.499 2.071 1.00 0.00 H new ATOM 531 N PRO A 38 -10.839 7.751 4.639 1.00 0.00 N ATOM 532 CA PRO A 38 -10.129 7.478 5.906 1.00 0.00 C ATOM 533 C PRO A 38 -10.016 5.985 6.198 1.00 0.00 C ATOM 534 O PRO A 38 -10.985 5.252 6.189 1.00 0.00 O ATOM 535 CB PRO A 38 -10.959 8.180 6.985 1.00 0.00 C ATOM 536 CG PRO A 38 -12.117 8.837 6.283 1.00 0.00 C ATOM 537 CD PRO A 38 -11.799 8.846 4.786 1.00 0.00 C ATOM 0 HA PRO A 38 -9.102 7.841 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.312 7.465 7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.358 8.919 7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.042 8.293 6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.262 9.853 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.693 8.681 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.374 9.799 4.471 1.00 0.00 H new ATOM 545 N ASN A 39 -8.830 5.547 6.466 1.00 0.00 N ATOM 546 CA ASN A 39 -8.592 4.110 6.778 1.00 0.00 C ATOM 547 C ASN A 39 -8.641 3.266 5.504 1.00 0.00 C ATOM 548 O ASN A 39 -8.860 2.072 5.556 1.00 0.00 O ATOM 549 CB ASN A 39 -9.658 3.608 7.759 1.00 0.00 C ATOM 550 CG ASN A 39 -9.029 2.620 8.747 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.461 2.516 9.877 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.020 1.888 8.363 1.00 0.00 N ATOM 0 H ASN A 39 -7.994 6.131 6.484 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.603 4.015 7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.094 4.449 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.469 3.125 7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.593 1.227 9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.658 1.976 7.413 1.00 0.00 H new ATOM 559 N LEU A 40 -8.427 3.854 4.361 1.00 0.00 N ATOM 560 CA LEU A 40 -8.454 3.039 3.113 1.00 0.00 C ATOM 561 C LEU A 40 -7.127 2.287 3.002 1.00 0.00 C ATOM 562 O LEU A 40 -6.222 2.483 3.789 1.00 0.00 O ATOM 563 CB LEU A 40 -8.628 3.939 1.876 1.00 0.00 C ATOM 564 CG LEU A 40 -10.111 4.164 1.532 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.193 4.844 0.163 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.868 2.826 1.465 1.00 0.00 C ATOM 0 H LEU A 40 -8.237 4.848 4.236 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.293 2.345 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.148 4.901 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.123 3.485 1.023 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.564 4.783 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.238 5.012 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.670 5.800 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.729 4.205 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.914 3.012 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.422 2.194 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.805 2.323 2.430 1.00 0.00 H new ATOM 578 N TRP A 41 -7.000 1.431 2.031 1.00 0.00 N ATOM 579 CA TRP A 41 -5.727 0.675 1.870 1.00 0.00 C ATOM 580 C TRP A 41 -5.657 0.105 0.452 1.00 0.00 C ATOM 581 O TRP A 41 -6.205 -0.941 0.162 1.00 0.00 O ATOM 582 CB TRP A 41 -5.662 -0.463 2.902 1.00 0.00 C ATOM 583 CG TRP A 41 -4.446 -0.304 3.764 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.191 -0.084 3.307 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.347 -0.351 5.218 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.331 0.013 4.386 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.997 -0.146 5.586 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.288 -0.548 6.242 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.596 -0.137 6.923 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.889 -0.540 7.588 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.546 -0.334 7.928 1.00 0.00 C ATOM 0 H TRP A 41 -7.721 1.221 1.341 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.881 1.343 2.033 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.560 -0.456 3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.633 -1.426 2.392 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.907 0.002 2.268 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.328 0.181 4.306 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.327 -0.707 5.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.559 0.021 7.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.622 -0.694 8.366 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.245 -0.327 8.965 1.00 0.00 H new ATOM 602 N ALA A 42 -4.998 0.791 -0.437 1.00 0.00 N ATOM 603 CA ALA A 42 -4.903 0.300 -1.835 1.00 0.00 C ATOM 604 C ALA A 42 -3.671 -0.582 -2.007 1.00 0.00 C ATOM 605 O ALA A 42 -2.622 -0.328 -1.447 1.00 0.00 O ATOM 606 CB ALA A 42 -4.794 1.495 -2.777 1.00 0.00 C ATOM 0 H ALA A 42 -4.520 1.673 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.793 -0.285 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.724 1.142 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.677 2.125 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.903 2.073 -2.530 1.00 0.00 H new ATOM 612 N CYS A 43 -3.789 -1.609 -2.801 1.00 0.00 N ATOM 613 CA CYS A 43 -2.632 -2.505 -3.043 1.00 0.00 C ATOM 614 C CYS A 43 -1.507 -1.686 -3.674 1.00 0.00 C ATOM 615 O CYS A 43 -1.752 -0.698 -4.337 1.00 0.00 O ATOM 616 CB CYS A 43 -3.055 -3.628 -3.989 1.00 0.00 C ATOM 617 SG CYS A 43 -2.078 -5.109 -3.638 1.00 0.00 S ATOM 0 H CYS A 43 -4.644 -1.865 -3.294 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.286 -2.942 -2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.117 -3.842 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.910 -3.320 -5.025 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.807 -6.167 -3.835 1.00 0.00 H new ATOM 622 N LEU A 44 -0.276 -2.069 -3.465 1.00 0.00 N ATOM 623 CA LEU A 44 0.852 -1.284 -4.046 1.00 0.00 C ATOM 624 C LEU A 44 1.851 -2.209 -4.744 1.00 0.00 C ATOM 625 O LEU A 44 3.045 -2.018 -4.645 1.00 0.00 O ATOM 626 CB LEU A 44 1.561 -0.524 -2.921 1.00 0.00 C ATOM 627 CG LEU A 44 2.466 0.568 -3.513 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.661 1.857 -3.710 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.631 0.849 -2.560 1.00 0.00 C ATOM 0 H LEU A 44 -0.003 -2.887 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 44 0.455 -0.585 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.825 -0.076 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.155 -1.215 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 44 2.852 0.225 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.306 2.628 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.832 1.667 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.272 2.193 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.269 1.624 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.242 1.186 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.212 -0.062 -2.417 1.00 0.00 H new ATOM 641 N GLN A 45 1.389 -3.202 -5.459 1.00 0.00 N ATOM 642 CA GLN A 45 2.350 -4.104 -6.158 1.00 0.00 C ATOM 643 C GLN A 45 2.638 -3.565 -7.562 1.00 0.00 C ATOM 644 O GLN A 45 1.798 -2.960 -8.199 1.00 0.00 O ATOM 645 CB GLN A 45 1.792 -5.527 -6.254 1.00 0.00 C ATOM 646 CG GLN A 45 0.835 -5.784 -5.095 1.00 0.00 C ATOM 647 CD GLN A 45 1.625 -5.833 -3.787 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.075 -6.885 -3.376 1.00 0.00 O ATOM 649 NE2 GLN A 45 1.816 -4.734 -3.112 1.00 0.00 N ATOM 0 H GLN A 45 0.402 -3.425 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 45 3.275 -4.135 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.273 -5.661 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.608 -6.250 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.082 -4.997 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.305 -6.724 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.438 -3.851 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.343 -4.757 -2.239 1.00 0.00 H new ATOM 658 N VAL A 46 3.834 -3.774 -8.029 1.00 0.00 N ATOM 659 CA VAL A 46 4.238 -3.281 -9.381 1.00 0.00 C ATOM 660 C VAL A 46 3.111 -3.451 -10.410 1.00 0.00 C ATOM 661 O VAL A 46 3.140 -2.835 -11.458 1.00 0.00 O ATOM 662 CB VAL A 46 5.466 -4.066 -9.854 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.044 -5.465 -10.313 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.129 -3.327 -11.019 1.00 0.00 C ATOM 0 H VAL A 46 4.566 -4.275 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 46 4.464 -2.218 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 46 6.172 -4.156 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.921 -6.018 -10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.576 -5.995 -9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.333 -5.379 -11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.002 -3.886 -11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.420 -3.234 -11.841 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.438 -2.334 -10.692 1.00 0.00 H new ATOM 674 N ALA A 47 2.132 -4.280 -10.156 1.00 0.00 N ATOM 675 CA ALA A 47 1.053 -4.457 -11.176 1.00 0.00 C ATOM 676 C ALA A 47 -0.297 -4.753 -10.517 1.00 0.00 C ATOM 677 O ALA A 47 -1.048 -5.585 -10.987 1.00 0.00 O ATOM 678 CB ALA A 47 1.425 -5.617 -12.102 1.00 0.00 C ATOM 0 H ALA A 47 2.032 -4.833 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 47 0.961 -3.529 -11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.642 -5.752 -12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.368 -5.396 -12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.529 -6.531 -11.517 1.00 0.00 H new ATOM 684 N CYS A 48 -0.627 -4.079 -9.448 1.00 0.00 N ATOM 685 CA CYS A 48 -1.945 -4.330 -8.793 1.00 0.00 C ATOM 686 C CYS A 48 -2.608 -2.997 -8.439 1.00 0.00 C ATOM 687 O CYS A 48 -2.546 -2.545 -7.313 1.00 0.00 O ATOM 688 CB CYS A 48 -1.736 -5.141 -7.519 1.00 0.00 C ATOM 689 SG CYS A 48 -3.295 -5.929 -7.055 1.00 0.00 S ATOM 0 H CYS A 48 -0.046 -3.370 -9.002 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.586 -4.884 -9.479 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.966 -5.896 -7.676 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.388 -4.493 -6.714 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.070 -6.842 -6.157 1.00 0.00 H new ATOM 694 N PRO A 49 -3.247 -2.375 -9.394 1.00 0.00 N ATOM 695 CA PRO A 49 -3.941 -1.080 -9.183 1.00 0.00 C ATOM 696 C PRO A 49 -5.385 -1.264 -8.699 1.00 0.00 C ATOM 697 O PRO A 49 -6.276 -1.547 -9.474 1.00 0.00 O ATOM 698 CB PRO A 49 -3.919 -0.457 -10.577 1.00 0.00 C ATOM 699 CG PRO A 49 -3.976 -1.620 -11.522 1.00 0.00 C ATOM 700 CD PRO A 49 -3.375 -2.830 -10.786 1.00 0.00 C ATOM 0 HA PRO A 49 -3.463 -0.472 -8.414 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.766 0.213 -10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.016 0.133 -10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.004 -1.823 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.415 -1.405 -12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.022 -3.704 -10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.408 -3.111 -11.204 1.00 0.00 H new ATOM 708 N TYR A 50 -5.616 -1.096 -7.425 1.00 0.00 N ATOM 709 CA TYR A 50 -6.992 -1.248 -6.874 1.00 0.00 C ATOM 710 C TYR A 50 -7.001 -0.678 -5.457 1.00 0.00 C ATOM 711 O TYR A 50 -6.095 -0.921 -4.684 1.00 0.00 O ATOM 712 CB TYR A 50 -7.371 -2.732 -6.826 1.00 0.00 C ATOM 713 CG TYR A 50 -7.677 -3.226 -8.222 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.852 -4.185 -8.824 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.787 -2.724 -8.913 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.136 -4.640 -10.116 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.070 -3.181 -10.207 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.246 -4.139 -10.808 1.00 0.00 C ATOM 719 OH TYR A 50 -8.525 -4.588 -12.082 1.00 0.00 O ATOM 0 H TYR A 50 -4.902 -0.858 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.708 -0.721 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.555 -3.312 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.238 -2.875 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.997 -4.573 -8.291 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.424 -1.986 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.499 -5.378 -10.580 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.925 -2.793 -10.741 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.329 -4.140 -12.418 1.00 0.00 H new ATOM 729 N VAL A 51 -8.002 0.083 -5.103 1.00 0.00 N ATOM 730 CA VAL A 51 -8.034 0.661 -3.728 1.00 0.00 C ATOM 731 C VAL A 51 -8.991 -0.144 -2.851 1.00 0.00 C ATOM 732 O VAL A 51 -10.192 0.015 -2.903 1.00 0.00 O ATOM 733 CB VAL A 51 -8.457 2.133 -3.793 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.622 2.300 -4.772 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.874 2.621 -2.401 1.00 0.00 C ATOM 0 H VAL A 51 -8.792 0.328 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.038 0.609 -3.287 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.612 2.728 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.916 3.349 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.313 1.972 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.467 1.699 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.173 3.668 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.712 2.023 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.034 2.520 -1.713 1.00 0.00 H new ATOM 745 N GLY A 52 -8.452 -1.017 -2.046 1.00 0.00 N ATOM 746 CA GLY A 52 -9.304 -1.855 -1.163 1.00 0.00 C ATOM 747 C GLY A 52 -9.640 -1.099 0.122 1.00 0.00 C ATOM 748 O GLY A 52 -9.324 0.064 0.274 1.00 0.00 O ATOM 0 H GLY A 52 -7.449 -1.186 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.222 -2.127 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.787 -2.784 -0.922 1.00 0.00 H new ATOM 752 N CYS A 53 -10.281 -1.760 1.048 1.00 0.00 N ATOM 753 CA CYS A 53 -10.651 -1.102 2.330 1.00 0.00 C ATOM 754 C CYS A 53 -9.648 -1.460 3.401 1.00 0.00 C ATOM 755 O CYS A 53 -8.830 -2.347 3.262 1.00 0.00 O ATOM 756 CB CYS A 53 -11.992 -1.645 2.849 1.00 0.00 C ATOM 757 SG CYS A 53 -12.348 -3.246 2.083 1.00 0.00 S ATOM 0 H CYS A 53 -10.566 -2.736 0.968 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.693 -0.030 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.956 -1.751 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.791 -0.939 2.624 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.398 -3.140 1.324 1.00 0.00 H new ATOM 762 N GLY A 54 -9.799 -0.816 4.503 1.00 0.00 N ATOM 763 CA GLY A 54 -8.978 -1.116 5.688 1.00 0.00 C ATOM 764 C GLY A 54 -9.983 -1.639 6.696 1.00 0.00 C ATOM 765 O GLY A 54 -11.154 -1.348 6.574 1.00 0.00 O ATOM 0 H GLY A 54 -10.480 -0.069 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.210 -1.857 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.466 -0.227 6.057 1.00 0.00 H new ATOM 769 N GLU A 55 -9.587 -2.421 7.653 1.00 0.00 N ATOM 770 CA GLU A 55 -10.593 -2.956 8.625 1.00 0.00 C ATOM 771 C GLU A 55 -11.815 -2.055 8.657 1.00 0.00 C ATOM 772 O GLU A 55 -12.935 -2.516 8.755 1.00 0.00 O ATOM 773 CB GLU A 55 -9.986 -3.003 10.016 1.00 0.00 C ATOM 774 CG GLU A 55 -9.808 -1.580 10.554 1.00 0.00 C ATOM 775 CD GLU A 55 -8.841 -1.598 11.740 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.188 -2.182 12.754 1.00 0.00 O ATOM 777 OE2 GLU A 55 -7.768 -1.030 11.613 1.00 0.00 O ATOM 0 H GLU A 55 -8.623 -2.715 7.811 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.884 -3.958 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.629 -3.576 10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.023 -3.513 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.424 -0.929 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.771 -1.174 10.863 1.00 0.00 H new ATOM 784 N SER A 56 -11.601 -0.779 8.541 1.00 0.00 N ATOM 785 CA SER A 56 -12.742 0.174 8.518 1.00 0.00 C ATOM 786 C SER A 56 -13.958 -0.539 7.925 1.00 0.00 C ATOM 787 O SER A 56 -15.059 -0.438 8.428 1.00 0.00 O ATOM 788 CB SER A 56 -12.366 1.364 7.636 1.00 0.00 C ATOM 789 OG SER A 56 -12.125 2.496 8.462 1.00 0.00 O ATOM 0 H SER A 56 -10.679 -0.351 8.460 1.00 0.00 H new ATOM 0 HA SER A 56 -12.973 0.522 9.525 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.478 1.131 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.168 1.577 6.930 1.00 0.00 H new ATOM 0 HG SER A 56 -12.498 3.296 8.037 1.00 0.00 H new ATOM 795 N PHE A 57 -13.749 -1.282 6.866 1.00 0.00 N ATOM 796 CA PHE A 57 -14.879 -2.034 6.240 1.00 0.00 C ATOM 797 C PHE A 57 -14.596 -3.530 6.322 1.00 0.00 C ATOM 798 O PHE A 57 -14.901 -4.185 7.300 1.00 0.00 O ATOM 799 CB PHE A 57 -15.023 -1.647 4.773 1.00 0.00 C ATOM 800 CG PHE A 57 -16.156 -2.440 4.161 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.897 -3.370 3.146 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.467 -2.244 4.611 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.948 -4.103 2.583 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.519 -2.976 4.047 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.259 -3.906 3.033 1.00 0.00 C ATOM 0 H PHE A 57 -12.845 -1.400 6.409 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.799 -1.791 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.220 -0.579 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.094 -1.845 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.886 -3.521 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.667 -1.528 5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.748 -4.821 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.530 -2.823 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.070 -4.471 2.598 1.00 0.00 H new ATOM 815 N ALA A 58 -14.009 -4.067 5.292 1.00 0.00 N ATOM 816 CA ALA A 58 -13.683 -5.525 5.269 1.00 0.00 C ATOM 817 C ALA A 58 -12.177 -5.690 5.073 1.00 0.00 C ATOM 818 O ALA A 58 -11.693 -6.752 4.738 1.00 0.00 O ATOM 819 CB ALA A 58 -14.426 -6.195 4.112 1.00 0.00 C ATOM 0 H ALA A 58 -13.736 -3.555 4.453 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.987 -5.989 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.189 -7.259 4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.500 -6.065 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.120 -5.739 3.170 1.00 0.00 H new ATOM 825 N ASP A 59 -11.440 -4.633 5.280 1.00 0.00 N ATOM 826 CA ASP A 59 -9.959 -4.687 5.113 1.00 0.00 C ATOM 827 C ASP A 59 -9.577 -5.539 3.905 1.00 0.00 C ATOM 828 O ASP A 59 -8.893 -6.530 4.048 1.00 0.00 O ATOM 829 CB ASP A 59 -9.303 -5.297 6.356 1.00 0.00 C ATOM 830 CG ASP A 59 -9.945 -6.650 6.675 1.00 0.00 C ATOM 831 OD1 ASP A 59 -10.559 -6.758 7.724 1.00 0.00 O ATOM 832 OD2 ASP A 59 -9.813 -7.555 5.868 1.00 0.00 O ATOM 0 H ASP A 59 -11.805 -3.723 5.561 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.609 -3.665 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.233 -5.423 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.415 -4.623 7.205 1.00 0.00 H new ATOM 837 N HIS A 60 -9.969 -5.168 2.711 1.00 0.00 N ATOM 838 CA HIS A 60 -9.547 -5.994 1.544 1.00 0.00 C ATOM 839 C HIS A 60 -8.048 -6.223 1.703 1.00 0.00 C ATOM 840 O HIS A 60 -7.517 -7.245 1.349 1.00 0.00 O ATOM 841 CB HIS A 60 -9.814 -5.255 0.226 1.00 0.00 C ATOM 842 CG HIS A 60 -11.001 -5.856 -0.484 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.122 -5.108 -0.846 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.245 -7.135 -0.921 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.972 -5.947 -1.471 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.485 -7.185 -1.540 1.00 0.00 N ATOM 0 H HIS A 60 -10.546 -4.354 2.499 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.104 -6.931 1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.998 -4.199 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.933 -5.310 -0.414 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.270 -4.114 -0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.574 -7.973 -0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.932 -5.651 -1.868 1.00 0.00 H new ATOM 854 N SER A 61 -7.375 -5.265 2.271 1.00 0.00 N ATOM 855 CA SER A 61 -5.913 -5.406 2.496 1.00 0.00 C ATOM 856 C SER A 61 -5.630 -6.764 3.137 1.00 0.00 C ATOM 857 O SER A 61 -4.541 -7.291 3.038 1.00 0.00 O ATOM 858 CB SER A 61 -5.450 -4.288 3.434 1.00 0.00 C ATOM 859 OG SER A 61 -4.200 -3.781 2.983 1.00 0.00 O ATOM 0 H SER A 61 -7.778 -4.384 2.591 1.00 0.00 H new ATOM 0 HA SER A 61 -5.379 -5.338 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.191 -3.489 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.355 -4.668 4.451 1.00 0.00 H new ATOM 0 HG SER A 61 -4.159 -2.816 3.150 1.00 0.00 H new ATOM 865 N THR A 62 -6.601 -7.333 3.801 1.00 0.00 N ATOM 866 CA THR A 62 -6.380 -8.648 4.451 1.00 0.00 C ATOM 867 C THR A 62 -6.719 -9.774 3.479 1.00 0.00 C ATOM 868 O THR A 62 -5.867 -10.531 3.065 1.00 0.00 O ATOM 869 CB THR A 62 -7.298 -8.787 5.653 1.00 0.00 C ATOM 870 OG1 THR A 62 -7.516 -7.512 6.237 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.671 -9.726 6.685 1.00 0.00 C ATOM 0 H THR A 62 -7.535 -6.941 3.919 1.00 0.00 H new ATOM 0 HA THR A 62 -5.335 -8.709 4.755 1.00 0.00 H new ATOM 0 HB THR A 62 -8.251 -9.203 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.511 -7.594 7.214 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.336 -9.820 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.516 -10.708 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.713 -9.321 7.011 1.00 0.00 H new ATOM 879 N ILE A 63 -7.978 -9.896 3.129 1.00 0.00 N ATOM 880 CA ILE A 63 -8.387 -10.985 2.208 1.00 0.00 C ATOM 881 C ILE A 63 -7.674 -10.800 0.873 1.00 0.00 C ATOM 882 O ILE A 63 -7.322 -11.747 0.203 1.00 0.00 O ATOM 883 CB ILE A 63 -9.896 -10.969 1.987 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.340 -9.548 1.679 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.609 -11.471 3.244 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.734 -9.567 1.046 1.00 0.00 C ATOM 0 H ILE A 63 -8.733 -9.286 3.444 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.115 -11.943 2.650 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.149 -11.621 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.354 -8.955 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.629 -9.074 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.687 -11.458 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.288 -12.489 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.361 -10.824 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.048 -8.546 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.706 -10.144 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.442 -10.024 1.738 1.00 0.00 H new ATOM 898 N HIS A 64 -7.455 -9.577 0.493 1.00 0.00 N ATOM 899 CA HIS A 64 -6.751 -9.302 -0.790 1.00 0.00 C ATOM 900 C HIS A 64 -5.285 -9.695 -0.631 1.00 0.00 C ATOM 901 O HIS A 64 -4.710 -10.340 -1.485 1.00 0.00 O ATOM 902 CB HIS A 64 -6.840 -7.813 -1.135 1.00 0.00 C ATOM 903 CG HIS A 64 -6.150 -7.578 -2.444 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.843 -7.314 -3.616 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.823 -7.584 -2.786 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.935 -7.176 -4.599 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.690 -7.333 -4.144 1.00 0.00 N ATOM 0 H HIS A 64 -7.734 -8.748 1.018 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.216 -9.876 -1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.883 -7.502 -1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.375 -7.216 -0.351 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.855 -7.238 -3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.005 -7.758 -2.102 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.183 -6.964 -5.629 1.00 0.00 H new ATOM 915 N ALA A 65 -4.682 -9.339 0.471 1.00 0.00 N ATOM 916 CA ALA A 65 -3.261 -9.728 0.689 1.00 0.00 C ATOM 917 C ALA A 65 -3.255 -11.216 1.002 1.00 0.00 C ATOM 918 O ALA A 65 -2.266 -11.903 0.878 1.00 0.00 O ATOM 919 CB ALA A 65 -2.683 -8.954 1.876 1.00 0.00 C ATOM 0 H ALA A 65 -5.109 -8.800 1.224 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.658 -9.505 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.644 -9.245 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.735 -7.884 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.259 -9.181 2.773 1.00 0.00 H new ATOM 925 N GLN A 66 -4.382 -11.691 1.428 1.00 0.00 N ATOM 926 CA GLN A 66 -4.549 -13.119 1.794 1.00 0.00 C ATOM 927 C GLN A 66 -4.821 -13.971 0.545 1.00 0.00 C ATOM 928 O GLN A 66 -4.421 -15.115 0.463 1.00 0.00 O ATOM 929 CB GLN A 66 -5.769 -13.157 2.703 1.00 0.00 C ATOM 930 CG GLN A 66 -6.291 -14.580 2.926 1.00 0.00 C ATOM 931 CD GLN A 66 -5.722 -15.144 4.232 1.00 0.00 C ATOM 932 OE1 GLN A 66 -4.631 -15.678 4.251 1.00 0.00 O ATOM 933 NE2 GLN A 66 -6.420 -15.048 5.329 1.00 0.00 N ATOM 0 H GLN A 66 -5.226 -11.129 1.542 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.653 -13.515 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.515 -12.712 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.561 -12.547 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.380 -14.575 2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.005 -15.217 2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.336 -14.600 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.050 -15.421 6.203 1.00 0.00 H new ATOM 942 N ALA A 67 -5.525 -13.432 -0.411 1.00 0.00 N ATOM 943 CA ALA A 67 -5.860 -14.216 -1.633 1.00 0.00 C ATOM 944 C ALA A 67 -4.766 -14.051 -2.682 1.00 0.00 C ATOM 945 O ALA A 67 -4.351 -14.997 -3.321 1.00 0.00 O ATOM 946 CB ALA A 67 -7.194 -13.717 -2.199 1.00 0.00 C ATOM 0 H ALA A 67 -5.885 -12.478 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.939 -15.271 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.445 -14.287 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.978 -13.849 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.109 -12.661 -2.453 1.00 0.00 H new ATOM 952 N LYS A 68 -4.310 -12.849 -2.873 1.00 0.00 N ATOM 953 CA LYS A 68 -3.255 -12.600 -3.893 1.00 0.00 C ATOM 954 C LYS A 68 -1.891 -12.587 -3.214 1.00 0.00 C ATOM 955 O LYS A 68 -0.870 -12.367 -3.836 1.00 0.00 O ATOM 956 CB LYS A 68 -3.525 -11.256 -4.564 1.00 0.00 C ATOM 957 CG LYS A 68 -4.944 -11.265 -5.154 1.00 0.00 C ATOM 958 CD LYS A 68 -5.928 -10.645 -4.159 1.00 0.00 C ATOM 959 CE LYS A 68 -7.312 -10.551 -4.803 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.764 -11.911 -5.209 1.00 0.00 N ATOM 0 H LYS A 68 -4.623 -12.022 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.265 -13.387 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.424 -10.447 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.792 -11.074 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.961 -10.707 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.244 -12.287 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.977 -11.250 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.585 -9.654 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.023 -10.114 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.277 -9.893 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.785 -12.004 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.572 -12.053 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.251 -12.627 -4.656 1.00 0.00 H new ATOM 974 N LYS A 69 -1.874 -12.836 -1.941 1.00 0.00 N ATOM 975 CA LYS A 69 -0.592 -12.863 -1.190 1.00 0.00 C ATOM 976 C LYS A 69 0.154 -11.535 -1.364 1.00 0.00 C ATOM 977 O LYS A 69 1.325 -11.434 -1.055 1.00 0.00 O ATOM 978 CB LYS A 69 0.275 -14.023 -1.702 1.00 0.00 C ATOM 979 CG LYS A 69 -0.006 -15.290 -0.881 1.00 0.00 C ATOM 980 CD LYS A 69 -1.521 -15.518 -0.760 1.00 0.00 C ATOM 981 CE LYS A 69 -1.806 -17.014 -0.604 1.00 0.00 C ATOM 982 NZ LYS A 69 -0.791 -17.621 0.303 1.00 0.00 N ATOM 0 H LYS A 69 -2.704 -13.025 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.802 -13.007 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.064 -14.208 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.330 -13.759 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.462 -16.152 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.435 -15.195 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.913 -14.972 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.029 -15.131 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.807 -17.164 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.779 -17.504 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.198 -18.456 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.042 -17.906 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.508 -16.925 1.022 1.00 0.00 H new ATOM 996 N HIS A 70 -0.512 -10.505 -1.816 1.00 0.00 N ATOM 997 CA HIS A 70 0.183 -9.190 -1.951 1.00 0.00 C ATOM 998 C HIS A 70 0.371 -8.644 -0.536 1.00 0.00 C ATOM 999 O HIS A 70 -0.585 -8.444 0.186 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.666 -8.236 -2.796 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.787 -8.797 -4.188 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.707 -8.314 -5.109 1.00 0.00 N ATOM 1003 CD2 HIS A 70 -0.106 -9.803 -4.833 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.554 -9.022 -6.244 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.594 -9.938 -6.126 1.00 0.00 N ATOM 0 H HIS A 70 -1.493 -10.515 -2.094 1.00 0.00 H new ATOM 0 HA HIS A 70 1.146 -9.297 -2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.654 -8.115 -2.351 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.207 -7.248 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.686 -10.396 -4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.137 -8.866 -7.139 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.283 -10.600 -6.837 1.00 0.00 H new ATOM 1013 N ASN A 71 1.589 -8.449 -0.104 1.00 0.00 N ATOM 1014 CA ASN A 71 1.809 -7.979 1.291 1.00 0.00 C ATOM 1015 C ASN A 71 1.848 -6.455 1.370 1.00 0.00 C ATOM 1016 O ASN A 71 1.315 -5.864 2.287 1.00 0.00 O ATOM 1017 CB ASN A 71 3.135 -8.544 1.797 1.00 0.00 C ATOM 1018 CG ASN A 71 4.170 -8.520 0.669 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.107 -7.747 0.705 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.040 -9.340 -0.337 1.00 0.00 N ATOM 0 H ASN A 71 2.435 -8.594 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 71 0.980 -8.327 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.492 -7.957 2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.994 -9.565 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.725 -9.332 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.254 -9.989 -0.368 1.00 0.00 H new ATOM 1027 N LEU A 72 2.505 -5.815 0.452 1.00 0.00 N ATOM 1028 CA LEU A 72 2.619 -4.333 0.526 1.00 0.00 C ATOM 1029 C LEU A 72 1.367 -3.625 0.010 1.00 0.00 C ATOM 1030 O LEU A 72 0.859 -3.898 -1.059 1.00 0.00 O ATOM 1031 CB LEU A 72 3.822 -3.892 -0.296 1.00 0.00 C ATOM 1032 CG LEU A 72 5.099 -4.379 0.389 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.269 -4.264 -0.586 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.385 -3.528 1.636 1.00 0.00 C ATOM 0 H LEU A 72 2.968 -6.250 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 72 2.738 -4.059 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.758 -4.299 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.836 -2.806 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 72 4.971 -5.419 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.182 -4.610 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.071 -4.876 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.391 -3.224 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.297 -3.882 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.511 -2.485 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.551 -3.612 2.333 1.00 0.00 H new ATOM 1046 N THR A 73 0.905 -2.679 0.780 1.00 0.00 N ATOM 1047 CA THR A 73 -0.284 -1.865 0.403 1.00 0.00 C ATOM 1048 C THR A 73 -0.090 -0.495 1.051 1.00 0.00 C ATOM 1049 O THR A 73 0.684 -0.365 1.974 1.00 0.00 O ATOM 1050 CB THR A 73 -1.563 -2.516 0.939 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.683 -2.244 2.328 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.505 -4.029 0.718 1.00 0.00 C ATOM 0 H THR A 73 1.315 -2.430 1.680 1.00 0.00 H new ATOM 0 HA THR A 73 -0.379 -1.786 -0.680 1.00 0.00 H new ATOM 0 HB THR A 73 -2.425 -2.109 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.535 -1.791 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.417 -4.488 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.414 -4.238 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.643 -4.441 1.244 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.749 0.533 0.587 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.527 1.876 1.211 1.00 0.00 C ATOM 1062 C VAL A 74 -1.834 2.454 1.752 1.00 0.00 C ATOM 1063 O VAL A 74 -2.829 2.549 1.061 1.00 0.00 O ATOM 1064 CB VAL A 74 0.075 2.826 0.170 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.664 2.662 -1.160 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.059 4.277 0.647 1.00 0.00 C ATOM 0 H VAL A 74 -1.419 0.507 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 74 0.162 1.762 2.048 1.00 0.00 H new ATOM 0 HB VAL A 74 1.130 2.586 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.236 3.338 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.564 1.634 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.719 2.898 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.371 4.946 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.113 4.518 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.469 4.399 1.593 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.816 2.850 2.998 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.026 3.439 3.625 1.00 0.00 C ATOM 1078 C ASN A 75 -3.128 4.908 3.223 1.00 0.00 C ATOM 1079 O ASN A 75 -2.426 5.754 3.743 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.915 3.336 5.148 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.295 3.540 5.776 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.534 3.129 6.894 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -5.219 4.163 5.097 1.00 0.00 N ATOM 0 H ASN A 75 -1.003 2.788 3.611 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.913 2.901 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.517 2.361 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.218 4.085 5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.143 4.305 5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.017 4.508 4.158 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.992 5.218 2.304 1.00 0.00 N ATOM 1091 CA LEU A 76 -4.136 6.633 1.870 1.00 0.00 C ATOM 1092 C LEU A 76 -4.769 7.433 3.004 1.00 0.00 C ATOM 1093 O LEU A 76 -5.237 8.540 2.823 1.00 0.00 O ATOM 1094 CB LEU A 76 -5.012 6.680 0.617 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.524 5.604 -0.377 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.693 4.713 -0.800 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.903 6.257 -1.618 1.00 0.00 C ATOM 0 H LEU A 76 -4.606 4.554 1.833 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.164 7.066 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.055 6.504 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.961 7.667 0.158 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.766 4.998 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.339 3.957 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.114 4.224 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.460 5.322 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.565 5.482 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.648 6.881 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.054 6.872 -1.319 1.00 0.00 H new ATOM 1109 N THR A 77 -4.765 6.874 4.183 1.00 0.00 N ATOM 1110 CA THR A 77 -5.339 7.578 5.360 1.00 0.00 C ATOM 1111 C THR A 77 -4.208 8.285 6.100 1.00 0.00 C ATOM 1112 O THR A 77 -4.357 9.391 6.583 1.00 0.00 O ATOM 1113 CB THR A 77 -5.987 6.553 6.288 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.941 5.805 5.553 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.664 7.276 7.455 1.00 0.00 C ATOM 0 H THR A 77 -4.384 5.949 4.381 1.00 0.00 H new ATOM 0 HA THR A 77 -6.087 8.303 5.039 1.00 0.00 H new ATOM 0 HB THR A 77 -5.230 5.878 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.406 6.396 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.127 6.544 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.920 7.848 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.428 7.951 7.070 1.00 0.00 H new ATOM 1123 N THR A 78 -3.076 7.640 6.194 1.00 0.00 N ATOM 1124 CA THR A 78 -1.911 8.251 6.908 1.00 0.00 C ATOM 1125 C THR A 78 -0.711 8.389 5.964 1.00 0.00 C ATOM 1126 O THR A 78 0.230 9.101 6.254 1.00 0.00 O ATOM 1127 CB THR A 78 -1.521 7.365 8.090 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.657 7.154 8.918 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.416 8.046 8.899 1.00 0.00 C ATOM 0 H THR A 78 -2.905 6.712 5.806 1.00 0.00 H new ATOM 0 HA THR A 78 -2.198 9.242 7.260 1.00 0.00 H new ATOM 0 HB THR A 78 -1.158 6.406 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.614 7.754 9.692 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.139 7.413 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.455 8.205 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.775 9.006 9.269 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.735 7.725 4.841 1.00 0.00 N ATOM 1138 CA PHE A 79 0.405 7.830 3.876 1.00 0.00 C ATOM 1139 C PHE A 79 1.573 6.937 4.321 1.00 0.00 C ATOM 1140 O PHE A 79 2.698 7.378 4.449 1.00 0.00 O ATOM 1141 CB PHE A 79 0.871 9.292 3.780 1.00 0.00 C ATOM 1142 CG PHE A 79 1.335 9.591 2.373 1.00 0.00 C ATOM 1143 CD1 PHE A 79 2.635 9.257 1.977 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.462 10.201 1.464 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.064 9.535 0.674 1.00 0.00 C ATOM 1146 CE2 PHE A 79 0.890 10.479 0.161 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.191 10.146 -0.234 1.00 0.00 C ATOM 0 H PHE A 79 -1.495 7.112 4.546 1.00 0.00 H new ATOM 0 HA PHE A 79 0.066 7.493 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.056 9.962 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.682 9.472 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.308 8.784 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.542 10.457 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.068 9.278 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.217 10.950 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.521 10.361 -1.240 1.00 0.00 H new ATOM 1157 N ARG A 80 1.313 5.674 4.520 1.00 0.00 N ATOM 1158 CA ARG A 80 2.387 4.721 4.914 1.00 0.00 C ATOM 1159 C ARG A 80 2.085 3.396 4.221 1.00 0.00 C ATOM 1160 O ARG A 80 1.111 3.278 3.508 1.00 0.00 O ATOM 1161 CB ARG A 80 2.415 4.514 6.434 1.00 0.00 C ATOM 1162 CG ARG A 80 1.085 4.954 7.063 1.00 0.00 C ATOM 1163 CD ARG A 80 0.872 4.201 8.381 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.081 4.957 9.250 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.305 4.525 9.436 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.113 5.188 10.217 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.725 3.442 8.839 1.00 0.00 N ATOM 0 H ARG A 80 0.387 5.257 4.425 1.00 0.00 H new ATOM 0 HA ARG A 80 3.360 5.114 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.601 3.464 6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.236 5.084 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.093 6.029 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.261 4.751 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.482 3.203 8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.825 4.074 8.895 1.00 0.00 H new ATOM 0 HE ARG A 80 0.224 5.818 9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.792 6.038 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.066 4.856 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.099 2.924 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.679 3.114 8.990 1.00 0.00 H new ATOM 1181 N LEU A 81 2.899 2.402 4.414 1.00 0.00 N ATOM 1182 CA LEU A 81 2.634 1.096 3.748 1.00 0.00 C ATOM 1183 C LEU A 81 2.299 0.040 4.793 1.00 0.00 C ATOM 1184 O LEU A 81 2.316 0.286 5.981 1.00 0.00 O ATOM 1185 CB LEU A 81 3.873 0.666 2.955 1.00 0.00 C ATOM 1186 CG LEU A 81 3.731 1.082 1.485 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.117 1.368 0.897 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.049 -0.035 0.672 1.00 0.00 C ATOM 0 H LEU A 81 3.733 2.433 5.000 1.00 0.00 H new ATOM 0 HA LEU A 81 1.788 1.203 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.765 1.121 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.001 -0.414 3.024 1.00 0.00 H new ATOM 0 HG LEU A 81 3.116 1.980 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.015 1.663 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.591 2.174 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.732 0.470 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.956 0.277 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.649 -0.943 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.058 -0.230 1.082 1.00 0.00 H new ATOM 1200 N TRP A 82 1.999 -1.137 4.340 1.00 0.00 N ATOM 1201 CA TRP A 82 1.662 -2.247 5.267 1.00 0.00 C ATOM 1202 C TRP A 82 2.019 -3.555 4.578 1.00 0.00 C ATOM 1203 O TRP A 82 1.400 -3.945 3.609 1.00 0.00 O ATOM 1204 CB TRP A 82 0.165 -2.222 5.581 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.186 -3.397 6.436 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.328 -4.667 5.991 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.439 -3.436 7.870 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.652 -5.482 7.061 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.733 -4.769 8.241 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.443 -2.452 8.877 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.020 -5.116 9.561 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -0.731 -2.798 10.207 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -1.019 -4.127 10.549 1.00 0.00 C ATOM 0 H TRP A 82 1.972 -1.383 3.351 1.00 0.00 H new ATOM 0 HA TRP A 82 2.215 -2.144 6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.094 -1.296 6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.412 -2.247 4.656 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.208 -4.991 4.968 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.812 -6.487 6.987 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -0.223 -1.425 8.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.241 -6.141 9.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.731 -2.035 10.972 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.240 -4.386 11.574 1.00 0.00 H new ATOM 1224 N CYS A 83 3.024 -4.229 5.052 1.00 0.00 N ATOM 1225 CA CYS A 83 3.431 -5.498 4.406 1.00 0.00 C ATOM 1226 C CYS A 83 2.764 -6.674 5.103 1.00 0.00 C ATOM 1227 O CYS A 83 3.143 -7.036 6.189 1.00 0.00 O ATOM 1228 CB CYS A 83 4.946 -5.652 4.516 1.00 0.00 C ATOM 1229 SG CYS A 83 5.570 -6.441 3.018 1.00 0.00 S ATOM 0 H CYS A 83 3.581 -3.954 5.861 1.00 0.00 H new ATOM 0 HA CYS A 83 3.129 -5.479 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.414 -4.677 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.201 -6.251 5.390 1.00 0.00 H new ATOM 0 HG CYS A 83 4.637 -6.452 2.113 1.00 0.00 H new ATOM 1234 N TYR A 84 1.803 -7.299 4.491 1.00 0.00 N ATOM 1235 CA TYR A 84 1.183 -8.474 5.155 1.00 0.00 C ATOM 1236 C TYR A 84 2.238 -9.578 5.177 1.00 0.00 C ATOM 1237 O TYR A 84 2.009 -10.674 5.646 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.060 -8.932 4.376 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.042 -9.580 5.326 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.036 -10.970 5.498 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.957 -8.791 6.033 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.945 -11.570 6.377 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.866 -9.391 6.912 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.861 -10.780 7.084 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.757 -11.372 7.950 1.00 0.00 O ATOM 0 H TYR A 84 1.425 -7.054 3.576 1.00 0.00 H new ATOM 0 HA TYR A 84 0.861 -8.227 6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.526 -8.080 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.226 -9.637 3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.330 -11.579 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.962 -7.719 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.940 -12.642 6.510 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.571 -8.782 7.458 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.320 -10.683 8.360 1.00 0.00 H new ATOM 1255 N ALA A 85 3.415 -9.262 4.695 1.00 0.00 N ATOM 1256 CA ALA A 85 4.530 -10.243 4.700 1.00 0.00 C ATOM 1257 C ALA A 85 5.432 -9.877 5.874 1.00 0.00 C ATOM 1258 O ALA A 85 5.448 -10.548 6.887 1.00 0.00 O ATOM 1259 CB ALA A 85 5.323 -10.162 3.393 1.00 0.00 C ATOM 0 H ALA A 85 3.647 -8.353 4.295 1.00 0.00 H new ATOM 0 HA ALA A 85 4.148 -11.259 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.136 -10.888 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.664 -10.381 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.735 -9.159 3.279 1.00 0.00 H new ATOM 1265 N CYS A 86 6.141 -8.777 5.778 1.00 0.00 N ATOM 1266 CA CYS A 86 6.969 -8.354 6.925 1.00 0.00 C ATOM 1267 C CYS A 86 5.983 -8.056 8.042 1.00 0.00 C ATOM 1268 O CYS A 86 6.334 -7.866 9.190 1.00 0.00 O ATOM 1269 CB CYS A 86 7.757 -7.087 6.564 1.00 0.00 C ATOM 1270 SG CYS A 86 8.718 -7.374 5.057 1.00 0.00 S ATOM 0 H CYS A 86 6.175 -8.168 4.961 1.00 0.00 H new ATOM 0 HA CYS A 86 7.692 -9.117 7.212 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.073 -6.251 6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.421 -6.814 7.384 1.00 0.00 H new ATOM 0 HG CYS A 86 7.927 -7.343 4.026 1.00 0.00 H new ATOM 1275 N GLU A 87 4.726 -8.029 7.679 1.00 0.00 N ATOM 1276 CA GLU A 87 3.643 -7.760 8.657 1.00 0.00 C ATOM 1277 C GLU A 87 4.015 -6.546 9.509 1.00 0.00 C ATOM 1278 O GLU A 87 4.205 -6.635 10.707 1.00 0.00 O ATOM 1279 CB GLU A 87 3.440 -9.013 9.511 1.00 0.00 C ATOM 1280 CG GLU A 87 2.015 -9.546 9.331 1.00 0.00 C ATOM 1281 CD GLU A 87 1.030 -8.630 10.059 1.00 0.00 C ATOM 1282 OE1 GLU A 87 0.404 -7.820 9.396 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.920 -8.754 11.268 1.00 0.00 O ATOM 0 H GLU A 87 4.404 -8.186 6.724 1.00 0.00 H new ATOM 0 HA GLU A 87 2.707 -7.530 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.162 -9.778 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.620 -8.781 10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.766 -9.596 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.943 -10.560 9.724 1.00 0.00 H new ATOM 1290 N LYS A 88 4.112 -5.403 8.885 1.00 0.00 N ATOM 1291 CA LYS A 88 4.461 -4.162 9.632 1.00 0.00 C ATOM 1292 C LYS A 88 4.102 -2.950 8.773 1.00 0.00 C ATOM 1293 O LYS A 88 3.572 -3.085 7.690 1.00 0.00 O ATOM 1294 CB LYS A 88 5.961 -4.146 9.927 1.00 0.00 C ATOM 1295 CG LYS A 88 6.725 -4.574 8.672 1.00 0.00 C ATOM 1296 CD LYS A 88 8.219 -4.273 8.842 1.00 0.00 C ATOM 1297 CE LYS A 88 8.868 -5.312 9.770 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.605 -4.609 10.859 1.00 0.00 N ATOM 0 H LYS A 88 3.963 -5.276 7.884 1.00 0.00 H new ATOM 0 HA LYS A 88 3.909 -4.130 10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.273 -3.148 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.189 -4.820 10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.578 -5.639 8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.336 -4.047 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.712 -4.284 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.351 -3.273 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.105 -5.964 10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.550 -5.946 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.045 -5.310 11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.343 -4.004 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.942 -4.022 11.404 1.00 0.00 H new ATOM 1312 N GLU A 89 4.390 -1.769 9.246 1.00 0.00 N ATOM 1313 CA GLU A 89 4.071 -0.539 8.459 1.00 0.00 C ATOM 1314 C GLU A 89 5.380 0.083 7.967 1.00 0.00 C ATOM 1315 O GLU A 89 6.385 0.035 8.647 1.00 0.00 O ATOM 1316 CB GLU A 89 3.324 0.455 9.366 1.00 0.00 C ATOM 1317 CG GLU A 89 1.994 0.864 8.721 1.00 0.00 C ATOM 1318 CD GLU A 89 1.020 1.323 9.809 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.486 1.725 10.862 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.176 1.264 9.571 1.00 0.00 O ATOM 0 H GLU A 89 4.835 -1.600 10.148 1.00 0.00 H new ATOM 0 HA GLU A 89 3.443 -0.786 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.140 0.002 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.941 1.338 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.158 1.667 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.571 0.024 8.170 1.00 0.00 H new ATOM 1327 N VAL A 90 5.390 0.661 6.793 1.00 0.00 N ATOM 1328 CA VAL A 90 6.660 1.263 6.295 1.00 0.00 C ATOM 1329 C VAL A 90 6.354 2.437 5.360 1.00 0.00 C ATOM 1330 O VAL A 90 5.389 2.438 4.634 1.00 0.00 O ATOM 1331 CB VAL A 90 7.475 0.186 5.549 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.519 -0.421 6.492 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.535 -0.924 5.065 1.00 0.00 C ATOM 0 H VAL A 90 4.588 0.741 6.168 1.00 0.00 H new ATOM 0 HA VAL A 90 7.241 1.635 7.139 1.00 0.00 H new ATOM 0 HB VAL A 90 7.976 0.645 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.092 -1.181 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.192 0.362 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.017 -0.876 7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.111 -1.685 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.035 -1.376 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.790 -0.502 4.391 1.00 0.00 H new ATOM 1343 N PHE A 91 7.184 3.437 5.381 1.00 0.00 N ATOM 1344 CA PHE A 91 6.976 4.622 4.501 1.00 0.00 C ATOM 1345 C PHE A 91 7.942 4.540 3.335 1.00 0.00 C ATOM 1346 O PHE A 91 8.866 3.751 3.341 1.00 0.00 O ATOM 1347 CB PHE A 91 7.300 5.907 5.258 1.00 0.00 C ATOM 1348 CG PHE A 91 6.363 6.074 6.431 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.468 5.224 7.539 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.391 7.083 6.415 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.604 5.383 8.629 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.526 7.241 7.503 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.633 6.390 8.611 1.00 0.00 C ATOM 0 H PHE A 91 8.010 3.487 5.978 1.00 0.00 H new ATOM 0 HA PHE A 91 5.938 4.629 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.332 5.880 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.213 6.763 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.216 4.445 7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.309 7.740 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.687 4.728 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.776 8.018 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.966 6.511 9.451 1.00 0.00 H new