USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=29 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= -7.96! C(o=-14!,f=-20!) USER MOD Set 1.2: A 77 THR OG1 : rot 88:sc= -6.17! USER MOD Set 2.1: A 8 CYS SG : rot 155:sc= -4.19 USER MOD Set 2.2: A 10 HIS : no HD1:sc= -3.1! C(o=-26!,f=-24!) USER MOD Set 2.3: A 71 ASN : amide:sc= -9.67! C(o=-26!,f=-21!) USER MOD Set 2.4: A 83 CYS SG : rot -155:sc= -2.94 USER MOD Set 2.5: A 86 CYS SG : rot 129:sc= -6.54! USER MOD Set 3.1: A 39 ASN : amide:sc= -0.37 X(o=-1.6,f=-1.2) USER MOD Set 3.2: A 56 SER OG : rot -146:sc= -1.23 USER MOD Set 4.1: A 43 CYS SG : rot -157:sc= -1.51 USER MOD Set 4.2: A 45 GLN : amide:sc= -6.63! C(o=-17!,f=-18!) USER MOD Set 4.3: A 48 CYS SG : rot 166:sc= 0.486 USER MOD Set 4.4: A 64 HIS : no HE2:sc= -3.54 X(o=-17,f=-17) USER MOD Set 4.5: A 70 HIS : no HD1:sc= -5.72! K(o=-17!,f=-15) USER MOD Set 5.1: A 30 CYS SG : rot -152:sc= -1.42! USER MOD Set 5.2: A 33 CYS SG : rot -147:sc= -0.38 USER MOD Set 5.3: A 53 CYS SG : rot -119:sc= 1.61 USER MOD Set 5.4: A 60 HIS : no HE2:sc= -3.63! K(o=-3.8!,f=-1.7) USER MOD Set 6.1: A 31 GLN : amide:sc= -4.69! C(o=-5.7!,f=-7.1!) USER MOD Set 6.2: A 32 SER OG : rot 12:sc= -1.04! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 19 LYS NZ :NH3+ -102:sc= -0.422 (180deg=-1.26!) USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= 0.622 (180deg=-1.55!) USER MOD Single : A 26 SER OG : rot -51:sc= -0.718 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 36 THR OG1 : rot 75:sc= -0.93! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -108:sc= -0.281 USER MOD Single : A 62 THR OG1 : rot -84:sc= 0.725 USER MOD Single : A 66 GLN : amide:sc= -0.915 K(o=-0.91,f=-0.072) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -0.0519 (180deg=-0.607) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.142) USER MOD Single : A 73 THR OG1 : rot 13:sc= -0.149 USER MOD Single : A 78 THR OG1 : rot -100:sc= 0.192 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -1.4 (180deg=-3.93!) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.563 0.705 4.443 1.00 0.00 N ATOM 85 CA LEU A 7 12.361 -0.176 3.259 1.00 0.00 C ATOM 86 C LEU A 7 11.985 -1.590 3.726 1.00 0.00 C ATOM 87 O LEU A 7 12.271 -1.983 4.839 1.00 0.00 O ATOM 88 CB LEU A 7 13.655 -0.176 2.405 1.00 0.00 C ATOM 89 CG LEU A 7 14.541 -1.419 2.654 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.778 -1.637 4.158 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.903 -2.673 2.025 1.00 0.00 C ATOM 0 HA LEU A 7 11.543 0.195 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.387 -0.133 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.230 0.724 2.625 1.00 0.00 H new ATOM 0 HG LEU A 7 15.507 -1.243 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.404 -2.517 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.277 -0.764 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.822 -1.785 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.540 -3.537 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.922 -2.844 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.795 -2.526 0.950 1.00 0.00 H new ATOM 103 N CYS A 8 11.338 -2.353 2.881 1.00 0.00 N ATOM 104 CA CYS A 8 10.936 -3.746 3.260 1.00 0.00 C ATOM 105 C CYS A 8 11.468 -4.718 2.196 1.00 0.00 C ATOM 106 O CYS A 8 11.766 -4.330 1.087 1.00 0.00 O ATOM 107 CB CYS A 8 9.397 -3.846 3.361 1.00 0.00 C ATOM 108 SG CYS A 8 8.768 -5.132 2.234 1.00 0.00 S ATOM 0 H CYS A 8 11.069 -2.071 1.939 1.00 0.00 H new ATOM 0 HA CYS A 8 11.357 -4.002 4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.108 -4.079 4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.947 -2.885 3.113 1.00 0.00 H new ATOM 0 HG CYS A 8 7.634 -5.584 2.681 1.00 0.00 H new ATOM 113 N PRO A 9 11.594 -5.969 2.538 1.00 0.00 N ATOM 114 CA PRO A 9 12.106 -7.022 1.605 1.00 0.00 C ATOM 115 C PRO A 9 11.292 -7.076 0.310 1.00 0.00 C ATOM 116 O PRO A 9 11.812 -6.927 -0.778 1.00 0.00 O ATOM 117 CB PRO A 9 11.923 -8.327 2.401 1.00 0.00 C ATOM 118 CG PRO A 9 10.944 -7.982 3.473 1.00 0.00 C ATOM 119 CD PRO A 9 11.252 -6.540 3.842 1.00 0.00 C ATOM 0 HA PRO A 9 13.136 -6.836 1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.548 -9.129 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.868 -8.670 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.918 -8.088 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.054 -8.641 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.396 -6.041 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.077 -6.466 4.551 1.00 0.00 H new ATOM 127 N HIS A 10 10.014 -7.289 0.433 1.00 0.00 N ATOM 128 CA HIS A 10 9.137 -7.357 -0.774 1.00 0.00 C ATOM 129 C HIS A 10 8.934 -5.947 -1.325 1.00 0.00 C ATOM 130 O HIS A 10 8.303 -5.748 -2.343 1.00 0.00 O ATOM 131 CB HIS A 10 7.780 -7.972 -0.392 1.00 0.00 C ATOM 132 CG HIS A 10 7.983 -8.996 0.688 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.008 -8.665 2.043 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.174 -10.354 0.627 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.210 -9.812 2.723 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.317 -10.861 1.908 1.00 0.00 N ATOM 0 H HIS A 10 9.533 -7.420 1.323 1.00 0.00 H new ATOM 0 HA HIS A 10 9.606 -7.980 -1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.100 -7.193 -0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.319 -8.434 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.208 -10.938 -0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.277 -9.873 3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.472 -11.834 2.172 1.00 0.00 H new ATOM 144 N LEU A 11 9.467 -4.966 -0.652 1.00 0.00 N ATOM 145 CA LEU A 11 9.313 -3.560 -1.118 1.00 0.00 C ATOM 146 C LEU A 11 10.078 -3.367 -2.428 1.00 0.00 C ATOM 147 O LEU A 11 9.764 -2.501 -3.221 1.00 0.00 O ATOM 148 CB LEU A 11 9.872 -2.625 -0.043 1.00 0.00 C ATOM 149 CG LEU A 11 9.405 -1.178 -0.291 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.063 -0.507 1.044 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.521 -0.390 -0.987 1.00 0.00 C ATOM 0 H LEU A 11 10.006 -5.079 0.206 1.00 0.00 H new ATOM 0 HA LEU A 11 8.260 -3.335 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.543 -2.956 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.961 -2.668 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 11 8.519 -1.192 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.733 0.516 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.266 -1.063 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.946 -0.496 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.189 0.633 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.409 -0.381 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.760 -0.862 -1.940 1.00 0.00 H new ATOM 163 N ASP A 12 11.078 -4.170 -2.665 1.00 0.00 N ATOM 164 CA ASP A 12 11.861 -4.037 -3.926 1.00 0.00 C ATOM 165 C ASP A 12 11.195 -4.868 -5.024 1.00 0.00 C ATOM 166 O ASP A 12 11.408 -4.650 -6.200 1.00 0.00 O ATOM 167 CB ASP A 12 13.281 -4.552 -3.694 1.00 0.00 C ATOM 168 CG ASP A 12 14.136 -4.275 -4.932 1.00 0.00 C ATOM 169 OD1 ASP A 12 15.321 -4.560 -4.885 1.00 0.00 O ATOM 170 OD2 ASP A 12 13.591 -3.783 -5.906 1.00 0.00 O ATOM 0 H ASP A 12 11.387 -4.914 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 12 11.895 -2.990 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.717 -4.065 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.261 -5.622 -3.485 1.00 0.00 H new ATOM 175 N SER A 13 10.392 -5.823 -4.645 1.00 0.00 N ATOM 176 CA SER A 13 9.712 -6.678 -5.660 1.00 0.00 C ATOM 177 C SER A 13 8.500 -5.939 -6.235 1.00 0.00 C ATOM 178 O SER A 13 8.069 -6.204 -7.339 1.00 0.00 O ATOM 179 CB SER A 13 9.249 -7.976 -4.997 1.00 0.00 C ATOM 180 OG SER A 13 8.788 -8.875 -5.997 1.00 0.00 O ATOM 0 H SER A 13 10.176 -6.049 -3.674 1.00 0.00 H new ATOM 0 HA SER A 13 10.409 -6.904 -6.467 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.070 -8.425 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.452 -7.769 -4.282 1.00 0.00 H new ATOM 0 HG SER A 13 8.492 -9.709 -5.576 1.00 0.00 H new ATOM 186 N ILE A 14 7.944 -5.018 -5.496 1.00 0.00 N ATOM 187 CA ILE A 14 6.757 -4.270 -6.002 1.00 0.00 C ATOM 188 C ILE A 14 7.212 -3.147 -6.940 1.00 0.00 C ATOM 189 O ILE A 14 6.412 -2.524 -7.607 1.00 0.00 O ATOM 190 CB ILE A 14 6.001 -3.671 -4.822 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.949 -2.803 -3.991 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.452 -4.799 -3.946 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.140 -1.943 -3.016 1.00 0.00 C ATOM 0 H ILE A 14 8.260 -4.751 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 14 6.106 -4.951 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 14 5.179 -3.059 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.647 -3.434 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.543 -2.166 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.911 -4.373 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.776 -5.420 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.277 -5.408 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.818 -1.326 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.460 -1.301 -3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.566 -2.589 -2.352 1.00 0.00 H new ATOM 205 N GLY A 15 8.487 -2.879 -6.996 1.00 0.00 N ATOM 206 CA GLY A 15 8.982 -1.793 -7.892 1.00 0.00 C ATOM 207 C GLY A 15 8.287 -0.473 -7.541 1.00 0.00 C ATOM 208 O GLY A 15 8.002 -0.199 -6.393 1.00 0.00 O ATOM 0 H GLY A 15 9.208 -3.364 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.062 -1.686 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.788 -2.051 -8.933 1.00 0.00 H new ATOM 212 N GLU A 16 8.012 0.346 -8.526 1.00 0.00 N ATOM 213 CA GLU A 16 7.336 1.653 -8.259 1.00 0.00 C ATOM 214 C GLU A 16 6.128 1.802 -9.187 1.00 0.00 C ATOM 215 O GLU A 16 6.258 2.180 -10.335 1.00 0.00 O ATOM 216 CB GLU A 16 8.322 2.800 -8.518 1.00 0.00 C ATOM 217 CG GLU A 16 7.591 4.151 -8.482 1.00 0.00 C ATOM 218 CD GLU A 16 6.693 4.223 -7.244 1.00 0.00 C ATOM 219 OE1 GLU A 16 7.192 4.599 -6.197 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.522 3.901 -7.367 1.00 0.00 O ATOM 0 H GLU A 16 8.227 0.165 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 16 7.004 1.685 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.112 2.786 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.802 2.664 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.315 4.966 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.992 4.275 -9.384 1.00 0.00 H new ATOM 227 N VAL A 17 4.954 1.513 -8.699 1.00 0.00 N ATOM 228 CA VAL A 17 3.740 1.646 -9.551 1.00 0.00 C ATOM 229 C VAL A 17 3.568 3.122 -9.934 1.00 0.00 C ATOM 230 O VAL A 17 4.432 3.936 -9.680 1.00 0.00 O ATOM 231 CB VAL A 17 2.517 1.138 -8.763 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.907 2.279 -7.943 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.464 0.573 -9.732 1.00 0.00 C ATOM 0 H VAL A 17 4.783 1.190 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 17 3.839 1.054 -10.461 1.00 0.00 H new ATOM 0 HB VAL A 17 2.840 0.347 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.044 1.909 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.650 2.661 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.593 3.080 -8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.603 0.216 -9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.146 1.356 -10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.895 -0.254 -10.296 1.00 0.00 H new ATOM 243 N THR A 18 2.468 3.480 -10.542 1.00 0.00 N ATOM 244 CA THR A 18 2.274 4.906 -10.926 1.00 0.00 C ATOM 245 C THR A 18 1.999 5.731 -9.671 1.00 0.00 C ATOM 246 O THR A 18 1.145 5.406 -8.873 1.00 0.00 O ATOM 247 CB THR A 18 1.085 5.011 -11.894 1.00 0.00 C ATOM 248 OG1 THR A 18 0.418 3.759 -11.956 1.00 0.00 O ATOM 249 CG2 THR A 18 1.582 5.388 -13.293 1.00 0.00 C ATOM 0 H THR A 18 1.703 2.852 -10.787 1.00 0.00 H new ATOM 0 HA THR A 18 3.171 5.286 -11.416 1.00 0.00 H new ATOM 0 HB THR A 18 0.399 5.779 -11.537 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.342 3.823 -12.571 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.733 5.460 -13.973 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.096 6.348 -13.250 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.271 4.624 -13.653 1.00 0.00 H new ATOM 257 N LYS A 19 2.701 6.816 -9.508 1.00 0.00 N ATOM 258 CA LYS A 19 2.464 7.683 -8.322 1.00 0.00 C ATOM 259 C LYS A 19 0.993 8.075 -8.333 1.00 0.00 C ATOM 260 O LYS A 19 0.247 7.764 -7.428 1.00 0.00 O ATOM 261 CB LYS A 19 3.338 8.942 -8.419 1.00 0.00 C ATOM 262 CG LYS A 19 3.589 9.300 -9.898 1.00 0.00 C ATOM 263 CD LYS A 19 5.099 9.351 -10.184 1.00 0.00 C ATOM 264 CE LYS A 19 5.764 8.019 -9.790 1.00 0.00 C ATOM 265 NZ LYS A 19 6.618 8.232 -8.588 1.00 0.00 N ATOM 0 H LYS A 19 3.429 7.140 -10.145 1.00 0.00 H new ATOM 0 HA LYS A 19 2.717 7.158 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.848 9.774 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.288 8.775 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.114 8.562 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.135 10.264 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.269 9.551 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.554 10.171 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.003 7.267 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.367 7.642 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.615 8.290 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.342 9.118 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.494 7.437 -7.929 1.00 0.00 H new ATOM 279 N GLU A 20 0.570 8.737 -9.375 1.00 0.00 N ATOM 280 CA GLU A 20 -0.852 9.130 -9.492 1.00 0.00 C ATOM 281 C GLU A 20 -1.712 7.962 -9.024 1.00 0.00 C ATOM 282 O GLU A 20 -2.712 8.135 -8.367 1.00 0.00 O ATOM 283 CB GLU A 20 -1.159 9.461 -10.948 1.00 0.00 C ATOM 284 CG GLU A 20 -2.673 9.463 -11.185 1.00 0.00 C ATOM 285 CD GLU A 20 -2.956 9.665 -12.675 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.179 10.799 -13.067 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.945 8.683 -13.399 1.00 0.00 O ATOM 0 H GLU A 20 1.160 9.023 -10.156 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.062 10.007 -8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.743 10.436 -11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.683 8.731 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.106 8.522 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.142 10.257 -10.604 1.00 0.00 H new ATOM 294 N ASP A 21 -1.315 6.765 -9.345 1.00 0.00 N ATOM 295 CA ASP A 21 -2.107 5.590 -8.893 1.00 0.00 C ATOM 296 C ASP A 21 -2.358 5.746 -7.395 1.00 0.00 C ATOM 297 O ASP A 21 -3.445 5.516 -6.905 1.00 0.00 O ATOM 298 CB ASP A 21 -1.330 4.297 -9.166 1.00 0.00 C ATOM 299 CG ASP A 21 -2.303 3.121 -9.294 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.377 3.322 -9.836 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.956 2.040 -8.848 1.00 0.00 O ATOM 0 H ASP A 21 -0.484 6.550 -9.896 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.053 5.537 -9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.747 4.399 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.624 4.109 -8.357 1.00 0.00 H new ATOM 306 N LEU A 22 -1.362 6.174 -6.670 1.00 0.00 N ATOM 307 CA LEU A 22 -1.540 6.384 -5.209 1.00 0.00 C ATOM 308 C LEU A 22 -2.432 7.600 -5.014 1.00 0.00 C ATOM 309 O LEU A 22 -3.057 7.780 -3.987 1.00 0.00 O ATOM 310 CB LEU A 22 -0.182 6.633 -4.545 1.00 0.00 C ATOM 311 CG LEU A 22 0.586 5.316 -4.436 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.745 4.698 -5.826 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.968 5.584 -3.833 1.00 0.00 C ATOM 0 H LEU A 22 -0.431 6.387 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.991 5.501 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.392 7.353 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.324 7.066 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 22 0.036 4.626 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.293 3.759 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.239 4.509 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.295 5.385 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.518 4.647 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.517 6.274 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.854 6.022 -2.842 1.00 0.00 H new ATOM 325 N LEU A 23 -2.492 8.433 -6.007 1.00 0.00 N ATOM 326 CA LEU A 23 -3.335 9.649 -5.926 1.00 0.00 C ATOM 327 C LEU A 23 -4.789 9.264 -6.209 1.00 0.00 C ATOM 328 O LEU A 23 -5.664 9.543 -5.414 1.00 0.00 O ATOM 329 CB LEU A 23 -2.809 10.660 -6.953 1.00 0.00 C ATOM 330 CG LEU A 23 -1.307 10.901 -6.704 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.826 12.084 -7.560 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.064 11.221 -5.223 1.00 0.00 C ATOM 0 H LEU A 23 -1.985 8.321 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.293 10.100 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.967 10.285 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.358 11.598 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.756 10.001 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.236 12.253 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.987 11.859 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.386 12.980 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.000 11.390 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.621 12.117 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.399 10.384 -4.610 1.00 0.00 H new ATOM 344 N LEU A 24 -5.069 8.596 -7.298 1.00 0.00 N ATOM 345 CA LEU A 24 -6.480 8.191 -7.532 1.00 0.00 C ATOM 346 C LEU A 24 -6.858 7.213 -6.439 1.00 0.00 C ATOM 347 O LEU A 24 -7.908 7.316 -5.860 1.00 0.00 O ATOM 348 CB LEU A 24 -6.677 7.541 -8.906 1.00 0.00 C ATOM 349 CG LEU A 24 -5.876 6.233 -9.024 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.777 5.031 -8.714 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.351 6.092 -10.457 1.00 0.00 C ATOM 0 H LEU A 24 -4.399 8.321 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.115 9.077 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.736 7.338 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.364 8.234 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.049 6.260 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.199 4.111 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.167 5.120 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.607 5.006 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.782 5.166 -10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.191 6.071 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.706 6.938 -10.693 1.00 0.00 H new ATOM 363 N LYS A 25 -5.996 6.279 -6.119 1.00 0.00 N ATOM 364 CA LYS A 25 -6.329 5.328 -5.026 1.00 0.00 C ATOM 365 C LYS A 25 -6.827 6.158 -3.843 1.00 0.00 C ATOM 366 O LYS A 25 -7.838 5.866 -3.237 1.00 0.00 O ATOM 367 CB LYS A 25 -5.077 4.536 -4.635 1.00 0.00 C ATOM 368 CG LYS A 25 -4.837 3.419 -5.659 1.00 0.00 C ATOM 369 CD LYS A 25 -3.396 2.909 -5.554 1.00 0.00 C ATOM 370 CE LYS A 25 -3.250 1.617 -6.362 1.00 0.00 C ATOM 371 NZ LYS A 25 -1.804 1.309 -6.548 1.00 0.00 N ATOM 0 H LYS A 25 -5.089 6.139 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.093 4.617 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.213 5.199 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.199 4.111 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.535 2.600 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.027 3.791 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.704 3.664 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.138 2.729 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.745 0.794 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.738 1.724 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.537 1.483 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.236 1.917 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.628 0.311 -6.312 1.00 0.00 H new ATOM 385 N SER A 26 -6.128 7.220 -3.544 1.00 0.00 N ATOM 386 CA SER A 26 -6.545 8.122 -2.441 1.00 0.00 C ATOM 387 C SER A 26 -7.842 8.828 -2.852 1.00 0.00 C ATOM 388 O SER A 26 -8.262 9.785 -2.233 1.00 0.00 O ATOM 389 CB SER A 26 -5.448 9.174 -2.219 1.00 0.00 C ATOM 390 OG SER A 26 -5.525 9.665 -0.888 1.00 0.00 O ATOM 0 H SER A 26 -5.274 7.501 -4.026 1.00 0.00 H new ATOM 0 HA SER A 26 -6.702 7.553 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.467 8.735 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.566 9.994 -2.928 1.00 0.00 H new ATOM 0 HG SER A 26 -6.446 9.938 -0.693 1.00 0.00 H new ATOM 396 N LYS A 27 -8.460 8.388 -3.921 1.00 0.00 N ATOM 397 CA LYS A 27 -9.701 9.066 -4.394 1.00 0.00 C ATOM 398 C LYS A 27 -10.666 9.280 -3.226 1.00 0.00 C ATOM 399 O LYS A 27 -11.148 10.376 -3.020 1.00 0.00 O ATOM 400 CB LYS A 27 -10.385 8.247 -5.504 1.00 0.00 C ATOM 401 CG LYS A 27 -10.264 6.738 -5.233 1.00 0.00 C ATOM 402 CD LYS A 27 -11.557 6.035 -5.647 1.00 0.00 C ATOM 403 CE LYS A 27 -11.728 6.156 -7.161 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.968 5.445 -7.583 1.00 0.00 N ATOM 0 H LYS A 27 -8.158 7.592 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.423 10.036 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.437 8.525 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.932 8.484 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.421 6.326 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.066 6.563 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.525 4.985 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.409 6.482 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.783 7.206 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.862 5.732 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.082 5.529 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.898 4.441 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.790 5.869 -7.108 1.00 0.00 H new ATOM 418 N GLY A 28 -10.951 8.270 -2.440 1.00 0.00 N ATOM 419 CA GLY A 28 -11.871 8.486 -1.294 1.00 0.00 C ATOM 420 C GLY A 28 -12.781 7.283 -1.092 1.00 0.00 C ATOM 421 O GLY A 28 -13.706 7.339 -0.313 1.00 0.00 O ATOM 0 H GLY A 28 -10.590 7.322 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.293 8.666 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.474 9.377 -1.470 1.00 0.00 H new ATOM 425 N THR A 29 -12.558 6.201 -1.781 1.00 0.00 N ATOM 426 CA THR A 29 -13.458 5.037 -1.578 1.00 0.00 C ATOM 427 C THR A 29 -12.807 3.731 -2.061 1.00 0.00 C ATOM 428 O THR A 29 -12.050 3.710 -3.011 1.00 0.00 O ATOM 429 CB THR A 29 -14.751 5.284 -2.356 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.588 6.430 -3.182 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.920 5.516 -1.394 1.00 0.00 C ATOM 0 H THR A 29 -11.809 6.073 -2.461 1.00 0.00 H new ATOM 0 HA THR A 29 -13.662 4.931 -0.513 1.00 0.00 H new ATOM 0 HB THR A 29 -14.968 4.408 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.414 6.592 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.832 5.690 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.050 4.638 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.711 6.385 -0.770 1.00 0.00 H new ATOM 439 N CYS A 30 -13.146 2.636 -1.429 1.00 0.00 N ATOM 440 CA CYS A 30 -12.612 1.307 -1.859 1.00 0.00 C ATOM 441 C CYS A 30 -13.103 1.054 -3.285 1.00 0.00 C ATOM 442 O CYS A 30 -14.190 1.461 -3.646 1.00 0.00 O ATOM 443 CB CYS A 30 -13.158 0.209 -0.934 1.00 0.00 C ATOM 444 SG CYS A 30 -12.458 -1.397 -1.411 1.00 0.00 S ATOM 0 H CYS A 30 -13.775 2.605 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.523 1.298 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.905 0.434 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.246 0.175 -0.996 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.289 -2.345 -1.092 1.00 0.00 H new ATOM 449 N GLN A 31 -12.330 0.406 -4.109 1.00 0.00 N ATOM 450 CA GLN A 31 -12.802 0.170 -5.505 1.00 0.00 C ATOM 451 C GLN A 31 -13.750 -1.029 -5.546 1.00 0.00 C ATOM 452 O GLN A 31 -14.474 -1.221 -6.501 1.00 0.00 O ATOM 453 CB GLN A 31 -11.617 -0.087 -6.438 1.00 0.00 C ATOM 454 CG GLN A 31 -10.694 -1.165 -5.859 1.00 0.00 C ATOM 455 CD GLN A 31 -11.366 -2.535 -5.970 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.224 -2.739 -6.805 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.006 -3.490 -5.156 1.00 0.00 N ATOM 0 H GLN A 31 -11.407 0.034 -3.885 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.331 1.062 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.980 -0.400 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.057 0.837 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.745 -1.171 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.470 -0.943 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.285 -3.318 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.445 -4.408 -5.221 1.00 0.00 H new ATOM 466 N SER A 32 -13.751 -1.840 -4.522 1.00 0.00 N ATOM 467 CA SER A 32 -14.655 -3.029 -4.512 1.00 0.00 C ATOM 468 C SER A 32 -15.718 -2.867 -3.423 1.00 0.00 C ATOM 469 O SER A 32 -16.668 -3.621 -3.364 1.00 0.00 O ATOM 470 CB SER A 32 -13.832 -4.288 -4.239 1.00 0.00 C ATOM 471 OG SER A 32 -13.109 -4.638 -5.411 1.00 0.00 O ATOM 0 H SER A 32 -13.167 -1.732 -3.693 1.00 0.00 H new ATOM 0 HA SER A 32 -15.147 -3.115 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.144 -4.115 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.487 -5.108 -3.943 1.00 0.00 H new ATOM 0 HG SER A 32 -13.147 -3.898 -6.052 1.00 0.00 H new ATOM 477 N CYS A 33 -15.570 -1.894 -2.559 1.00 0.00 N ATOM 478 CA CYS A 33 -16.581 -1.698 -1.476 1.00 0.00 C ATOM 479 C CYS A 33 -17.094 -0.256 -1.479 1.00 0.00 C ATOM 480 O CYS A 33 -18.156 0.026 -0.961 1.00 0.00 O ATOM 481 CB CYS A 33 -15.947 -2.000 -0.115 1.00 0.00 C ATOM 482 SG CYS A 33 -15.179 -3.632 -0.154 1.00 0.00 S ATOM 0 H CYS A 33 -14.796 -1.230 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.415 -2.376 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.202 -1.242 0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.705 -1.962 0.667 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.275 -4.185 1.019 1.00 0.00 H new ATOM 487 N GLY A 34 -16.356 0.667 -2.037 1.00 0.00 N ATOM 488 CA GLY A 34 -16.835 2.079 -2.030 1.00 0.00 C ATOM 489 C GLY A 34 -17.190 2.458 -0.592 1.00 0.00 C ATOM 490 O GLY A 34 -18.342 2.651 -0.254 1.00 0.00 O ATOM 0 H GLY A 34 -15.456 0.508 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.063 2.744 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.705 2.188 -2.677 1.00 0.00 H new ATOM 494 N VAL A 35 -16.206 2.524 0.262 1.00 0.00 N ATOM 495 CA VAL A 35 -16.463 2.840 1.698 1.00 0.00 C ATOM 496 C VAL A 35 -16.113 4.297 2.033 1.00 0.00 C ATOM 497 O VAL A 35 -16.909 4.996 2.623 1.00 0.00 O ATOM 498 CB VAL A 35 -15.616 1.896 2.558 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.979 0.447 2.212 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.131 2.138 2.270 1.00 0.00 C ATOM 0 H VAL A 35 -15.226 2.371 0.025 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.525 2.705 1.902 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.811 2.081 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.381 -0.233 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.037 0.279 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.777 0.263 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.528 1.467 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.929 1.948 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.878 3.171 2.508 1.00 0.00 H new ATOM 510 N THR A 36 -14.939 4.764 1.680 1.00 0.00 N ATOM 511 CA THR A 36 -14.566 6.172 2.009 1.00 0.00 C ATOM 512 C THR A 36 -13.056 6.340 1.841 1.00 0.00 C ATOM 513 O THR A 36 -12.369 5.431 1.429 1.00 0.00 O ATOM 514 CB THR A 36 -14.942 6.503 3.462 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.290 7.705 3.847 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.501 5.369 4.390 1.00 0.00 C ATOM 0 H THR A 36 -14.227 4.232 1.180 1.00 0.00 H new ATOM 0 HA THR A 36 -15.103 6.844 1.340 1.00 0.00 H new ATOM 0 HB THR A 36 -16.023 6.623 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.739 8.469 3.429 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.772 5.613 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.996 4.444 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.421 5.241 4.320 1.00 0.00 H new ATOM 524 N GLY A 37 -12.540 7.499 2.153 1.00 0.00 N ATOM 525 CA GLY A 37 -11.076 7.741 2.008 1.00 0.00 C ATOM 526 C GLY A 37 -10.350 7.384 3.300 1.00 0.00 C ATOM 527 O GLY A 37 -9.557 6.466 3.342 1.00 0.00 O ATOM 0 H GLY A 37 -13.074 8.294 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.682 7.145 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.896 8.787 1.759 1.00 0.00 H new ATOM 531 N PRO A 38 -10.600 8.109 4.352 1.00 0.00 N ATOM 532 CA PRO A 38 -9.941 7.849 5.645 1.00 0.00 C ATOM 533 C PRO A 38 -9.901 6.359 5.969 1.00 0.00 C ATOM 534 O PRO A 38 -10.897 5.664 5.923 1.00 0.00 O ATOM 535 CB PRO A 38 -10.777 8.607 6.680 1.00 0.00 C ATOM 536 CG PRO A 38 -11.870 9.314 5.922 1.00 0.00 C ATOM 537 CD PRO A 38 -11.518 9.245 4.432 1.00 0.00 C ATOM 0 HA PRO A 38 -8.902 8.177 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.198 7.921 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.161 9.321 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.834 8.842 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.954 10.351 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.404 9.089 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.048 10.166 4.087 1.00 0.00 H new ATOM 545 N ASN A 39 -8.746 5.878 6.295 1.00 0.00 N ATOM 546 CA ASN A 39 -8.583 4.439 6.634 1.00 0.00 C ATOM 547 C ASN A 39 -8.600 3.583 5.363 1.00 0.00 C ATOM 548 O ASN A 39 -8.914 2.412 5.411 1.00 0.00 O ATOM 549 CB ASN A 39 -9.714 3.985 7.573 1.00 0.00 C ATOM 550 CG ASN A 39 -9.144 3.085 8.673 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.617 3.568 9.656 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.227 1.790 8.549 1.00 0.00 N ATOM 0 H ASN A 39 -7.888 6.427 6.343 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.623 4.311 7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.201 4.853 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.475 3.447 7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.850 1.183 9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.669 1.384 7.724 1.00 0.00 H new ATOM 559 N LEU A 40 -8.248 4.135 4.231 1.00 0.00 N ATOM 560 CA LEU A 40 -8.239 3.301 2.994 1.00 0.00 C ATOM 561 C LEU A 40 -6.912 2.541 2.939 1.00 0.00 C ATOM 562 O LEU A 40 -5.993 2.818 3.683 1.00 0.00 O ATOM 563 CB LEU A 40 -8.372 4.175 1.734 1.00 0.00 C ATOM 564 CG LEU A 40 -9.845 4.419 1.353 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.886 5.082 -0.027 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.622 3.096 1.289 1.00 0.00 C ATOM 0 H LEU A 40 -7.971 5.109 4.110 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.084 2.613 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.878 5.132 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.858 3.693 0.903 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.305 5.056 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.922 5.262 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.349 6.030 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.416 4.426 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.659 3.296 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.170 2.445 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.589 2.607 2.263 1.00 0.00 H new ATOM 578 N TRP A 41 -6.810 1.585 2.066 1.00 0.00 N ATOM 579 CA TRP A 41 -5.546 0.793 1.955 1.00 0.00 C ATOM 580 C TRP A 41 -5.468 0.181 0.560 1.00 0.00 C ATOM 581 O TRP A 41 -5.985 -0.890 0.312 1.00 0.00 O ATOM 582 CB TRP A 41 -5.529 -0.337 2.993 1.00 0.00 C ATOM 583 CG TRP A 41 -5.711 0.225 4.368 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.883 0.661 4.870 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.721 0.402 5.425 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.680 1.109 6.162 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.365 0.967 6.551 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.344 0.136 5.516 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.669 1.257 7.726 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.640 0.425 6.698 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.301 0.985 7.799 1.00 0.00 C ATOM 0 H TRP A 41 -7.549 1.312 1.418 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.697 1.453 2.133 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.322 -1.052 2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.586 -0.880 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.828 0.661 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.414 1.497 6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.823 -0.293 4.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.184 1.688 8.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.583 0.214 6.758 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.753 1.206 8.703 1.00 0.00 H new ATOM 602 N ALA A 42 -4.844 0.858 -0.358 1.00 0.00 N ATOM 603 CA ALA A 42 -4.753 0.321 -1.739 1.00 0.00 C ATOM 604 C ALA A 42 -3.529 -0.578 -1.894 1.00 0.00 C ATOM 605 O ALA A 42 -2.472 -0.316 -1.353 1.00 0.00 O ATOM 606 CB ALA A 42 -4.646 1.488 -2.716 1.00 0.00 C ATOM 0 H ALA A 42 -4.393 1.761 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.645 -0.271 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.579 1.105 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.528 2.121 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.755 2.072 -2.488 1.00 0.00 H new ATOM 612 N CYS A 43 -3.669 -1.630 -2.652 1.00 0.00 N ATOM 613 CA CYS A 43 -2.527 -2.553 -2.883 1.00 0.00 C ATOM 614 C CYS A 43 -1.398 -1.775 -3.553 1.00 0.00 C ATOM 615 O CYS A 43 -1.635 -0.798 -4.235 1.00 0.00 O ATOM 616 CB CYS A 43 -2.979 -3.687 -3.797 1.00 0.00 C ATOM 617 SG CYS A 43 -1.765 -5.025 -3.751 1.00 0.00 S ATOM 0 H CYS A 43 -4.534 -1.890 -3.125 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.179 -2.968 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.954 -4.056 -3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.093 -3.321 -4.817 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.870 -5.744 -4.829 1.00 0.00 H new ATOM 622 N LEU A 44 -0.173 -2.180 -3.355 1.00 0.00 N ATOM 623 CA LEU A 44 0.957 -1.433 -3.977 1.00 0.00 C ATOM 624 C LEU A 44 1.957 -2.396 -4.620 1.00 0.00 C ATOM 625 O LEU A 44 3.152 -2.255 -4.453 1.00 0.00 O ATOM 626 CB LEU A 44 1.658 -0.607 -2.894 1.00 0.00 C ATOM 627 CG LEU A 44 2.619 0.403 -3.540 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.864 1.686 -3.896 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.743 0.744 -2.557 1.00 0.00 C ATOM 0 H LEU A 44 0.093 -2.989 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 44 0.566 -0.779 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.918 -0.082 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.208 -1.266 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 44 3.039 -0.037 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.551 2.398 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.062 1.454 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.440 2.122 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.424 1.460 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.316 1.178 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.290 -0.163 -2.301 1.00 0.00 H new ATOM 641 N GLN A 45 1.496 -3.364 -5.370 1.00 0.00 N ATOM 642 CA GLN A 45 2.459 -4.294 -6.025 1.00 0.00 C ATOM 643 C GLN A 45 2.796 -3.765 -7.422 1.00 0.00 C ATOM 644 O GLN A 45 1.999 -3.112 -8.064 1.00 0.00 O ATOM 645 CB GLN A 45 1.870 -5.704 -6.140 1.00 0.00 C ATOM 646 CG GLN A 45 1.095 -6.067 -4.865 1.00 0.00 C ATOM 647 CD GLN A 45 1.852 -7.158 -4.102 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.227 -8.164 -4.670 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.098 -6.999 -2.830 1.00 0.00 N ATOM 0 H GLN A 45 0.510 -3.548 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 45 3.361 -4.349 -5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.207 -5.759 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.669 -6.426 -6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.975 -5.185 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.094 -6.415 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.784 -6.155 -2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.604 -7.719 -2.315 1.00 0.00 H new ATOM 658 N VAL A 46 3.983 -4.036 -7.877 1.00 0.00 N ATOM 659 CA VAL A 46 4.425 -3.552 -9.220 1.00 0.00 C ATOM 660 C VAL A 46 3.297 -3.648 -10.256 1.00 0.00 C ATOM 661 O VAL A 46 3.341 -2.988 -11.275 1.00 0.00 O ATOM 662 CB VAL A 46 5.608 -4.401 -9.695 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.119 -5.802 -10.072 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.249 -3.741 -10.918 1.00 0.00 C ATOM 0 H VAL A 46 4.681 -4.581 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 46 4.713 -2.505 -9.124 1.00 0.00 H new ATOM 0 HB VAL A 46 6.342 -4.478 -8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.963 -6.403 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.662 -6.274 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.383 -5.727 -10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.091 -4.344 -11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.512 -3.664 -11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.601 -2.744 -10.651 1.00 0.00 H new ATOM 674 N ALA A 47 2.301 -4.465 -10.037 1.00 0.00 N ATOM 675 CA ALA A 47 1.216 -4.572 -11.061 1.00 0.00 C ATOM 676 C ALA A 47 -0.132 -4.891 -10.411 1.00 0.00 C ATOM 677 O ALA A 47 -0.791 -5.843 -10.780 1.00 0.00 O ATOM 678 CB ALA A 47 1.571 -5.681 -12.052 1.00 0.00 C ATOM 0 H ALA A 47 2.190 -5.053 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 47 1.131 -3.614 -11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.784 -5.765 -12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.515 -5.443 -12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.667 -6.627 -11.520 1.00 0.00 H new ATOM 684 N CYS A 48 -0.562 -4.103 -9.463 1.00 0.00 N ATOM 685 CA CYS A 48 -1.881 -4.370 -8.822 1.00 0.00 C ATOM 686 C CYS A 48 -2.575 -3.048 -8.488 1.00 0.00 C ATOM 687 O CYS A 48 -2.527 -2.583 -7.366 1.00 0.00 O ATOM 688 CB CYS A 48 -1.674 -5.160 -7.536 1.00 0.00 C ATOM 689 SG CYS A 48 -3.253 -5.872 -7.021 1.00 0.00 S ATOM 0 H CYS A 48 -0.060 -3.290 -9.106 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.500 -4.943 -9.512 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.939 -5.949 -7.693 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.281 -4.510 -6.754 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.045 -6.776 -6.111 1.00 0.00 H new ATOM 694 N PRO A 49 -3.221 -2.448 -9.452 1.00 0.00 N ATOM 695 CA PRO A 49 -3.942 -1.165 -9.251 1.00 0.00 C ATOM 696 C PRO A 49 -5.361 -1.382 -8.713 1.00 0.00 C ATOM 697 O PRO A 49 -6.270 -1.715 -9.446 1.00 0.00 O ATOM 698 CB PRO A 49 -3.982 -0.572 -10.659 1.00 0.00 C ATOM 699 CG PRO A 49 -4.010 -1.754 -11.580 1.00 0.00 C ATOM 700 CD PRO A 49 -3.336 -2.921 -10.840 1.00 0.00 C ATOM 0 HA PRO A 49 -3.457 -0.522 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.862 0.056 -10.797 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.110 0.054 -10.848 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.035 -2.009 -11.848 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.484 -1.531 -12.508 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.933 -3.831 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.359 -3.151 -11.265 1.00 0.00 H new ATOM 708 N TYR A 50 -5.551 -1.184 -7.435 1.00 0.00 N ATOM 709 CA TYR A 50 -6.900 -1.368 -6.826 1.00 0.00 C ATOM 710 C TYR A 50 -6.875 -0.777 -5.417 1.00 0.00 C ATOM 711 O TYR A 50 -5.959 -1.022 -4.657 1.00 0.00 O ATOM 712 CB TYR A 50 -7.234 -2.862 -6.737 1.00 0.00 C ATOM 713 CG TYR A 50 -7.510 -3.413 -8.116 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.661 -4.383 -8.667 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.613 -2.955 -8.846 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.917 -4.892 -9.945 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.869 -3.466 -10.125 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.021 -4.434 -10.674 1.00 0.00 C ATOM 719 OH TYR A 50 -8.272 -4.937 -11.935 1.00 0.00 O ATOM 0 H TYR A 50 -4.821 -0.900 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.653 -0.871 -7.438 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.405 -3.402 -6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.103 -3.011 -6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.809 -4.737 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.267 -2.207 -8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.262 -5.639 -10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.721 -3.113 -10.687 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.076 -4.514 -12.302 1.00 0.00 H new ATOM 729 N VAL A 51 -7.861 0.001 -5.055 1.00 0.00 N ATOM 730 CA VAL A 51 -7.863 0.600 -3.688 1.00 0.00 C ATOM 731 C VAL A 51 -8.828 -0.170 -2.782 1.00 0.00 C ATOM 732 O VAL A 51 -10.031 -0.072 -2.903 1.00 0.00 O ATOM 733 CB VAL A 51 -8.251 2.079 -3.775 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.454 2.250 -4.706 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.591 2.615 -2.379 1.00 0.00 C ATOM 0 H VAL A 51 -8.659 0.246 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.864 0.530 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.408 2.643 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.723 3.305 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.198 1.887 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.298 1.680 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.866 3.667 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.426 2.049 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.723 2.510 -1.728 1.00 0.00 H new ATOM 745 N GLY A 52 -8.297 -0.952 -1.881 1.00 0.00 N ATOM 746 CA GLY A 52 -9.163 -1.757 -0.974 1.00 0.00 C ATOM 747 C GLY A 52 -9.534 -0.961 0.281 1.00 0.00 C ATOM 748 O GLY A 52 -9.229 0.207 0.408 1.00 0.00 O ATOM 0 H GLY A 52 -7.294 -1.068 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.069 -2.055 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.645 -2.672 -0.688 1.00 0.00 H new ATOM 752 N CYS A 53 -10.203 -1.601 1.207 1.00 0.00 N ATOM 753 CA CYS A 53 -10.623 -0.919 2.466 1.00 0.00 C ATOM 754 C CYS A 53 -9.678 -1.266 3.598 1.00 0.00 C ATOM 755 O CYS A 53 -8.845 -2.145 3.510 1.00 0.00 O ATOM 756 CB CYS A 53 -11.999 -1.432 2.926 1.00 0.00 C ATOM 757 SG CYS A 53 -12.352 -3.032 2.154 1.00 0.00 S ATOM 0 H CYS A 53 -10.479 -2.581 1.141 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.635 0.150 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.015 -1.531 4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.773 -0.712 2.660 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.418 -2.932 1.416 1.00 0.00 H new ATOM 762 N GLY A 54 -9.900 -0.617 4.694 1.00 0.00 N ATOM 763 CA GLY A 54 -9.150 -0.905 5.932 1.00 0.00 C ATOM 764 C GLY A 54 -10.212 -1.391 6.896 1.00 0.00 C ATOM 765 O GLY A 54 -11.376 -1.131 6.680 1.00 0.00 O ATOM 0 H GLY A 54 -10.593 0.126 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.383 -1.662 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.645 -0.016 6.309 1.00 0.00 H new ATOM 769 N GLU A 55 -9.868 -2.100 7.926 1.00 0.00 N ATOM 770 CA GLU A 55 -10.929 -2.582 8.864 1.00 0.00 C ATOM 771 C GLU A 55 -12.125 -1.650 8.787 1.00 0.00 C ATOM 772 O GLU A 55 -13.263 -2.073 8.826 1.00 0.00 O ATOM 773 CB GLU A 55 -10.402 -2.585 10.288 1.00 0.00 C ATOM 774 CG GLU A 55 -10.180 -1.145 10.762 1.00 0.00 C ATOM 775 CD GLU A 55 -9.316 -1.150 12.025 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.739 -0.571 13.011 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.244 -1.734 11.983 1.00 0.00 O ATOM 0 H GLU A 55 -8.913 -2.368 8.164 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.220 -3.594 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.109 -3.089 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.467 -3.142 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.694 -0.564 9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.138 -0.666 10.966 1.00 0.00 H new ATOM 784 N SER A 56 -11.856 -0.386 8.643 1.00 0.00 N ATOM 785 CA SER A 56 -12.950 0.613 8.514 1.00 0.00 C ATOM 786 C SER A 56 -14.160 -0.073 7.882 1.00 0.00 C ATOM 787 O SER A 56 -15.282 0.093 8.318 1.00 0.00 O ATOM 788 CB SER A 56 -12.467 1.745 7.608 1.00 0.00 C ATOM 789 OG SER A 56 -12.197 2.895 8.399 1.00 0.00 O ATOM 0 H SER A 56 -10.914 0.003 8.609 1.00 0.00 H new ATOM 0 HA SER A 56 -13.225 1.016 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.569 1.439 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.224 1.974 6.858 1.00 0.00 H new ATOM 0 HG SER A 56 -12.415 3.702 7.888 1.00 0.00 H new ATOM 795 N PHE A 57 -13.926 -0.867 6.868 1.00 0.00 N ATOM 796 CA PHE A 57 -15.051 -1.598 6.211 1.00 0.00 C ATOM 797 C PHE A 57 -14.830 -3.100 6.347 1.00 0.00 C ATOM 798 O PHE A 57 -15.223 -3.717 7.316 1.00 0.00 O ATOM 799 CB PHE A 57 -15.111 -1.251 4.729 1.00 0.00 C ATOM 800 CG PHE A 57 -16.237 -2.028 4.086 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.563 -1.761 4.448 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.957 -3.016 3.134 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.609 -2.481 3.858 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.004 -3.735 2.544 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.329 -3.467 2.906 1.00 0.00 C ATOM 0 H PHE A 57 -13.004 -1.040 6.467 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.984 -1.307 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.270 -0.181 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.164 -1.493 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.779 -0.999 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.934 -3.223 2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.632 -2.275 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.789 -4.497 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.136 -4.022 2.450 1.00 0.00 H new ATOM 815 N ALA A 58 -14.194 -3.682 5.372 1.00 0.00 N ATOM 816 CA ALA A 58 -13.921 -5.151 5.406 1.00 0.00 C ATOM 817 C ALA A 58 -12.412 -5.371 5.343 1.00 0.00 C ATOM 818 O ALA A 58 -11.930 -6.486 5.372 1.00 0.00 O ATOM 819 CB ALA A 58 -14.587 -5.822 4.202 1.00 0.00 C ATOM 0 H ALA A 58 -13.846 -3.201 4.542 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.321 -5.583 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.388 -6.893 4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.663 -5.652 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.185 -5.399 3.281 1.00 0.00 H new ATOM 825 N ASP A 59 -11.668 -4.305 5.256 1.00 0.00 N ATOM 826 CA ASP A 59 -10.186 -4.418 5.192 1.00 0.00 C ATOM 827 C ASP A 59 -9.769 -5.340 4.046 1.00 0.00 C ATOM 828 O ASP A 59 -9.125 -6.346 4.264 1.00 0.00 O ATOM 829 CB ASP A 59 -9.646 -4.976 6.515 1.00 0.00 C ATOM 830 CG ASP A 59 -8.143 -5.230 6.395 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.390 -4.281 6.550 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.769 -6.365 6.155 1.00 0.00 O ATOM 0 H ASP A 59 -12.028 -3.351 5.226 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.772 -3.425 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.842 -4.272 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.162 -5.903 6.767 1.00 0.00 H new ATOM 837 N HIS A 60 -10.095 -5.004 2.820 1.00 0.00 N ATOM 838 CA HIS A 60 -9.655 -5.878 1.695 1.00 0.00 C ATOM 839 C HIS A 60 -8.169 -6.144 1.907 1.00 0.00 C ATOM 840 O HIS A 60 -7.620 -7.123 1.463 1.00 0.00 O ATOM 841 CB HIS A 60 -9.851 -5.161 0.349 1.00 0.00 C ATOM 842 CG HIS A 60 -11.036 -5.729 -0.389 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.159 -4.965 -0.714 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.279 -6.984 -0.889 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.008 -5.774 -1.377 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.519 -7.006 -1.508 1.00 0.00 N ATOM 0 H HIS A 60 -10.635 -4.180 2.556 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.235 -6.801 1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.998 -4.094 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.953 -5.267 -0.259 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.308 -3.981 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.607 -7.826 -0.812 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.969 -5.461 -1.757 1.00 0.00 H new ATOM 854 N SER A 61 -7.527 -5.252 2.603 1.00 0.00 N ATOM 855 CA SER A 61 -6.075 -5.400 2.884 1.00 0.00 C ATOM 856 C SER A 61 -5.762 -6.836 3.309 1.00 0.00 C ATOM 857 O SER A 61 -4.692 -7.349 3.047 1.00 0.00 O ATOM 858 CB SER A 61 -5.701 -4.442 4.017 1.00 0.00 C ATOM 859 OG SER A 61 -4.347 -4.037 3.865 1.00 0.00 O ATOM 0 H SER A 61 -7.954 -4.413 2.995 1.00 0.00 H new ATOM 0 HA SER A 61 -5.503 -5.169 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.356 -3.571 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.840 -4.930 4.982 1.00 0.00 H new ATOM 0 HG SER A 61 -3.799 -4.461 4.558 1.00 0.00 H new ATOM 865 N THR A 62 -6.675 -7.487 3.975 1.00 0.00 N ATOM 866 CA THR A 62 -6.406 -8.875 4.426 1.00 0.00 C ATOM 867 C THR A 62 -6.822 -9.876 3.355 1.00 0.00 C ATOM 868 O THR A 62 -6.003 -10.585 2.806 1.00 0.00 O ATOM 869 CB THR A 62 -7.195 -9.169 5.695 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.466 -8.537 5.620 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.434 -8.656 6.921 1.00 0.00 C ATOM 0 H THR A 62 -7.592 -7.117 4.224 1.00 0.00 H new ATOM 0 HA THR A 62 -5.337 -8.969 4.617 1.00 0.00 H new ATOM 0 HB THR A 62 -7.329 -10.247 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.386 -7.606 5.915 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.008 -8.872 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.465 -9.151 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.287 -7.579 6.834 1.00 0.00 H new ATOM 879 N ILE A 63 -8.093 -9.963 3.070 1.00 0.00 N ATOM 880 CA ILE A 63 -8.537 -10.949 2.056 1.00 0.00 C ATOM 881 C ILE A 63 -7.801 -10.687 0.742 1.00 0.00 C ATOM 882 O ILE A 63 -7.504 -11.593 -0.010 1.00 0.00 O ATOM 883 CB ILE A 63 -10.040 -10.854 1.828 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.425 -9.394 1.673 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.785 -11.463 3.017 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.839 -9.292 1.099 1.00 0.00 C ATOM 0 H ILE A 63 -8.832 -9.400 3.492 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.308 -11.951 2.419 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.309 -11.403 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.377 -8.891 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.718 -8.889 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.860 -11.392 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.503 -12.510 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.524 -10.921 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.112 -8.243 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.872 -9.780 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.542 -9.781 1.774 1.00 0.00 H new ATOM 898 N HIS A 64 -7.503 -9.451 0.467 1.00 0.00 N ATOM 899 CA HIS A 64 -6.778 -9.117 -0.793 1.00 0.00 C ATOM 900 C HIS A 64 -5.330 -9.596 -0.690 1.00 0.00 C ATOM 901 O HIS A 64 -4.786 -10.153 -1.622 1.00 0.00 O ATOM 902 CB HIS A 64 -6.787 -7.605 -1.028 1.00 0.00 C ATOM 903 CG HIS A 64 -6.072 -7.315 -2.315 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.746 -6.979 -3.479 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.741 -7.334 -2.642 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.824 -6.813 -4.445 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.586 -7.020 -3.986 1.00 0.00 N ATOM 0 H HIS A 64 -7.730 -8.653 1.061 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.278 -9.612 -1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.811 -7.236 -1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.299 -7.091 -0.200 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.755 -6.876 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.936 -7.559 -1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.056 -6.545 -5.465 1.00 0.00 H new ATOM 915 N ALA A 65 -4.704 -9.406 0.441 1.00 0.00 N ATOM 916 CA ALA A 65 -3.299 -9.881 0.592 1.00 0.00 C ATOM 917 C ALA A 65 -3.361 -11.386 0.801 1.00 0.00 C ATOM 918 O ALA A 65 -2.405 -12.110 0.636 1.00 0.00 O ATOM 919 CB ALA A 65 -2.651 -9.213 1.807 1.00 0.00 C ATOM 0 H ALA A 65 -5.101 -8.946 1.260 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.706 -9.632 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.625 -9.565 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.652 -8.131 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.214 -9.466 2.705 1.00 0.00 H new ATOM 925 N GLN A 66 -4.512 -11.827 1.187 1.00 0.00 N ATOM 926 CA GLN A 66 -4.769 -13.260 1.459 1.00 0.00 C ATOM 927 C GLN A 66 -5.087 -14.003 0.155 1.00 0.00 C ATOM 928 O GLN A 66 -4.742 -15.156 -0.017 1.00 0.00 O ATOM 929 CB GLN A 66 -5.994 -13.279 2.366 1.00 0.00 C ATOM 930 CG GLN A 66 -6.602 -14.679 2.498 1.00 0.00 C ATOM 931 CD GLN A 66 -6.103 -15.344 3.784 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.771 -16.193 4.342 1.00 0.00 O ATOM 933 NE2 GLN A 66 -4.949 -14.992 4.282 1.00 0.00 N ATOM 0 H GLN A 66 -5.324 -11.227 1.332 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.905 -13.746 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.717 -12.912 3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.746 -12.595 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.690 -14.613 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.330 -15.286 1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.388 -14.280 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.608 -15.429 5.138 1.00 0.00 H new ATOM 942 N ALA A 67 -5.770 -13.358 -0.749 1.00 0.00 N ATOM 943 CA ALA A 67 -6.150 -14.025 -2.025 1.00 0.00 C ATOM 944 C ALA A 67 -5.048 -13.835 -3.063 1.00 0.00 C ATOM 945 O ALA A 67 -4.683 -14.749 -3.775 1.00 0.00 O ATOM 946 CB ALA A 67 -7.456 -13.413 -2.543 1.00 0.00 C ATOM 0 H ALA A 67 -6.083 -12.392 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.287 -15.092 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.739 -13.897 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.244 -13.559 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.314 -12.346 -2.716 1.00 0.00 H new ATOM 952 N LYS A 68 -4.530 -12.646 -3.161 1.00 0.00 N ATOM 953 CA LYS A 68 -3.462 -12.373 -4.163 1.00 0.00 C ATOM 954 C LYS A 68 -2.096 -12.475 -3.493 1.00 0.00 C ATOM 955 O LYS A 68 -1.070 -12.238 -4.099 1.00 0.00 O ATOM 956 CB LYS A 68 -3.665 -10.970 -4.728 1.00 0.00 C ATOM 957 CG LYS A 68 -5.087 -10.853 -5.298 1.00 0.00 C ATOM 958 CD LYS A 68 -6.026 -10.258 -4.246 1.00 0.00 C ATOM 959 CE LYS A 68 -7.392 -9.982 -4.879 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.903 -11.227 -5.522 1.00 0.00 N ATOM 0 H LYS A 68 -4.800 -11.846 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.512 -13.102 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.511 -10.225 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.931 -10.770 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.080 -10.224 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.447 -11.835 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.134 -10.947 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.605 -9.335 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.094 -9.638 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.308 -9.186 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.930 -11.148 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.436 -11.360 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.700 -12.043 -4.910 1.00 0.00 H new ATOM 974 N LYS A 69 -2.081 -12.838 -2.245 1.00 0.00 N ATOM 975 CA LYS A 69 -0.795 -12.978 -1.513 1.00 0.00 C ATOM 976 C LYS A 69 -0.001 -11.667 -1.585 1.00 0.00 C ATOM 977 O LYS A 69 1.178 -11.632 -1.291 1.00 0.00 O ATOM 978 CB LYS A 69 0.025 -14.120 -2.133 1.00 0.00 C ATOM 979 CG LYS A 69 -0.292 -15.442 -1.421 1.00 0.00 C ATOM 980 CD LYS A 69 -1.813 -15.631 -1.309 1.00 0.00 C ATOM 981 CE LYS A 69 -2.147 -17.126 -1.298 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.604 -17.307 -1.042 1.00 0.00 N ATOM 0 H LYS A 69 -2.914 -13.046 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.001 -13.206 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.202 -14.206 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.089 -13.900 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.146 -16.275 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.157 -15.446 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.182 -15.159 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.313 -15.143 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.876 -17.577 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.566 -17.634 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.781 -18.279 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.914 -16.636 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.135 -17.133 -1.919 1.00 0.00 H new ATOM 996 N HIS A 70 -0.638 -10.583 -1.939 1.00 0.00 N ATOM 997 CA HIS A 70 0.091 -9.279 -1.988 1.00 0.00 C ATOM 998 C HIS A 70 0.253 -8.788 -0.547 1.00 0.00 C ATOM 999 O HIS A 70 -0.718 -8.582 0.154 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.719 -8.271 -2.809 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.754 -8.727 -4.243 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.728 -8.296 -5.133 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.055 -9.576 -4.961 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.481 -8.881 -6.320 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.407 -9.667 -6.267 1.00 0.00 N ATOM 0 H HIS A 70 -1.624 -10.542 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 70 1.068 -9.393 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.732 -8.190 -2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.270 -7.280 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.918 -10.093 -4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.080 -8.731 -7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.008 -10.219 -7.026 1.00 0.00 H new ATOM 1013 N ASN A 71 1.463 -8.633 -0.078 1.00 0.00 N ATOM 1014 CA ASN A 71 1.653 -8.202 1.336 1.00 0.00 C ATOM 1015 C ASN A 71 1.730 -6.677 1.441 1.00 0.00 C ATOM 1016 O ASN A 71 1.242 -6.091 2.386 1.00 0.00 O ATOM 1017 CB ASN A 71 2.947 -8.816 1.877 1.00 0.00 C ATOM 1018 CG ASN A 71 3.969 -8.945 0.745 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.490 -10.017 0.502 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.282 -7.894 0.039 1.00 0.00 N ATOM 0 H ASN A 71 2.321 -8.785 -0.609 1.00 0.00 H new ATOM 0 HA ASN A 71 0.799 -8.542 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.351 -8.193 2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.743 -9.796 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.963 -7.971 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.846 -6.995 0.242 1.00 0.00 H new ATOM 1027 N LEU A 72 2.367 -6.032 0.507 1.00 0.00 N ATOM 1028 CA LEU A 72 2.512 -4.552 0.600 1.00 0.00 C ATOM 1029 C LEU A 72 1.281 -3.810 0.083 1.00 0.00 C ATOM 1030 O LEU A 72 0.745 -4.094 -0.971 1.00 0.00 O ATOM 1031 CB LEU A 72 3.726 -4.114 -0.213 1.00 0.00 C ATOM 1032 CG LEU A 72 4.995 -4.667 0.438 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.085 -4.814 -0.619 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.480 -3.710 1.534 1.00 0.00 C ATOM 0 H LEU A 72 2.793 -6.462 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 72 2.633 -4.303 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.642 -4.476 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.773 -3.026 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 72 4.775 -5.639 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.990 -5.208 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.747 -5.499 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.298 -3.840 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.384 -4.111 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.696 -2.735 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.705 -3.603 2.293 1.00 0.00 H new ATOM 1046 N THR A 73 0.875 -2.820 0.825 1.00 0.00 N ATOM 1047 CA THR A 73 -0.276 -1.966 0.435 1.00 0.00 C ATOM 1048 C THR A 73 -0.016 -0.592 1.048 1.00 0.00 C ATOM 1049 O THR A 73 0.778 -0.474 1.957 1.00 0.00 O ATOM 1050 CB THR A 73 -1.583 -2.552 0.980 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.654 -1.666 0.689 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.471 -2.741 2.492 1.00 0.00 C ATOM 0 H THR A 73 1.307 -2.561 1.712 1.00 0.00 H new ATOM 0 HA THR A 73 -0.374 -1.905 -0.649 1.00 0.00 H new ATOM 0 HB THR A 73 -1.771 -3.518 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.355 -0.993 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.402 -3.158 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.650 -3.422 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.282 -1.778 2.966 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.639 0.452 0.571 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.353 1.799 1.159 1.00 0.00 C ATOM 1062 C VAL A 74 -1.628 2.439 1.704 1.00 0.00 C ATOM 1063 O VAL A 74 -2.661 2.461 1.064 1.00 0.00 O ATOM 1064 CB VAL A 74 0.268 2.695 0.085 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.550 2.590 -1.203 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.276 4.150 0.563 1.00 0.00 C ATOM 0 H VAL A 74 -1.322 0.436 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 74 0.344 1.681 1.988 1.00 0.00 H new ATOM 0 HB VAL A 74 1.292 2.371 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.108 3.228 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.552 1.557 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.574 2.910 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.719 4.783 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.746 4.475 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.861 4.229 1.479 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.543 2.959 2.901 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.721 3.607 3.538 1.00 0.00 C ATOM 1078 C ASN A 75 -2.794 5.070 3.108 1.00 0.00 C ATOM 1079 O ASN A 75 -2.064 5.909 3.597 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.573 3.536 5.059 1.00 0.00 C ATOM 1081 CG ASN A 75 -3.910 3.872 5.718 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.851 4.249 5.051 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.034 3.752 7.012 1.00 0.00 N ATOM 0 H ASN A 75 -0.696 2.961 3.469 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.631 3.092 3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.249 2.539 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.805 4.234 5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.922 3.975 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.243 3.435 7.573 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.673 5.382 2.204 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.802 6.788 1.745 1.00 0.00 C ATOM 1092 C LEU A 76 -4.443 7.608 2.862 1.00 0.00 C ATOM 1093 O LEU A 76 -4.798 8.756 2.690 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.666 6.815 0.484 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.189 5.702 -0.475 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.366 4.810 -0.874 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.557 6.308 -1.735 1.00 0.00 C ATOM 0 H LEU A 76 -4.311 4.721 1.761 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.827 7.214 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.714 6.666 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.593 7.788 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.440 5.103 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.018 4.029 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.795 4.353 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.125 5.411 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.227 5.508 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.293 6.926 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.701 6.922 -1.454 1.00 0.00 H new ATOM 1109 N THR A 77 -4.569 7.017 4.019 1.00 0.00 N ATOM 1110 CA THR A 77 -5.160 7.739 5.179 1.00 0.00 C ATOM 1111 C THR A 77 -4.030 8.403 5.959 1.00 0.00 C ATOM 1112 O THR A 77 -4.154 9.514 6.436 1.00 0.00 O ATOM 1113 CB THR A 77 -5.878 6.741 6.085 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.876 6.072 5.335 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.509 7.487 7.265 1.00 0.00 C ATOM 0 H THR A 77 -4.285 6.056 4.211 1.00 0.00 H new ATOM 0 HA THR A 77 -5.872 8.488 4.832 1.00 0.00 H new ATOM 0 HB THR A 77 -5.169 6.009 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.485 5.288 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.022 6.776 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.730 7.997 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.225 8.219 6.892 1.00 0.00 H new ATOM 1123 N THR A 78 -2.931 7.714 6.096 1.00 0.00 N ATOM 1124 CA THR A 78 -1.770 8.275 6.853 1.00 0.00 C ATOM 1125 C THR A 78 -0.538 8.385 5.948 1.00 0.00 C ATOM 1126 O THR A 78 0.415 9.063 6.273 1.00 0.00 O ATOM 1127 CB THR A 78 -1.445 7.357 8.030 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.650 6.990 8.689 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.525 8.084 9.011 1.00 0.00 C ATOM 0 H THR A 78 -2.784 6.780 5.714 1.00 0.00 H new ATOM 0 HA THR A 78 -2.034 9.270 7.212 1.00 0.00 H new ATOM 0 HB THR A 78 -0.943 6.461 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.766 7.542 9.491 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.295 7.427 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.399 8.363 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.022 8.981 9.379 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.550 7.728 4.820 1.00 0.00 N ATOM 1138 CA PHE A 79 0.619 7.795 3.887 1.00 0.00 C ATOM 1139 C PHE A 79 1.744 6.867 4.365 1.00 0.00 C ATOM 1140 O PHE A 79 2.890 7.261 4.464 1.00 0.00 O ATOM 1141 CB PHE A 79 1.143 9.234 3.788 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.014 10.204 3.866 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.037 11.286 4.753 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.137 10.022 3.050 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -1.034 12.186 4.823 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -2.208 10.921 3.120 1.00 0.00 C ATOM 1147 CZ PHE A 79 -2.157 12.002 4.007 1.00 0.00 C ATOM 0 H PHE A 79 -1.322 7.144 4.500 1.00 0.00 H new ATOM 0 HA PHE A 79 0.286 7.469 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.850 9.430 4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.683 9.371 2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.902 11.427 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.177 9.187 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.994 13.022 5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.073 10.780 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.984 12.695 4.062 1.00 0.00 H new ATOM 1157 N ARG A 80 1.426 5.630 4.624 1.00 0.00 N ATOM 1158 CA ARG A 80 2.458 4.643 5.054 1.00 0.00 C ATOM 1159 C ARG A 80 2.142 3.326 4.357 1.00 0.00 C ATOM 1160 O ARG A 80 1.191 3.232 3.608 1.00 0.00 O ATOM 1161 CB ARG A 80 2.439 4.435 6.577 1.00 0.00 C ATOM 1162 CG ARG A 80 1.157 5.014 7.192 1.00 0.00 C ATOM 1163 CD ARG A 80 0.864 4.285 8.508 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.360 4.848 9.148 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.467 4.891 10.451 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.543 5.388 10.999 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.494 4.433 11.206 1.00 0.00 N ATOM 0 H ARG A 80 0.480 5.254 4.555 1.00 0.00 H new ATOM 0 HA ARG A 80 3.449 5.011 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.508 3.371 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.310 4.913 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.274 6.083 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.322 4.896 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.728 3.220 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.714 4.383 9.183 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.119 5.202 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.298 5.742 10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.629 5.423 12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.333 4.039 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.406 4.469 12.222 1.00 0.00 H new ATOM 1181 N LEU A 81 2.921 2.309 4.585 1.00 0.00 N ATOM 1182 CA LEU A 81 2.647 1.008 3.915 1.00 0.00 C ATOM 1183 C LEU A 81 2.300 -0.056 4.949 1.00 0.00 C ATOM 1184 O LEU A 81 2.281 0.190 6.138 1.00 0.00 O ATOM 1185 CB LEU A 81 3.880 0.571 3.116 1.00 0.00 C ATOM 1186 CG LEU A 81 3.648 0.807 1.632 1.00 0.00 C ATOM 1187 CD1 LEU A 81 3.560 2.311 1.358 1.00 0.00 C ATOM 1188 CD2 LEU A 81 4.803 0.207 0.827 1.00 0.00 C ATOM 0 H LEU A 81 3.732 2.320 5.203 1.00 0.00 H new ATOM 0 HA LEU A 81 1.801 1.130 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.756 1.128 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.086 -0.484 3.297 1.00 0.00 H new ATOM 0 HG LEU A 81 2.715 0.329 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.394 2.478 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.732 2.736 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.491 2.791 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.633 0.378 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.739 0.680 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.861 -0.865 1.017 1.00 0.00 H new ATOM 1200 N TRP A 82 2.028 -1.237 4.485 1.00 0.00 N ATOM 1201 CA TRP A 82 1.677 -2.352 5.401 1.00 0.00 C ATOM 1202 C TRP A 82 1.988 -3.667 4.695 1.00 0.00 C ATOM 1203 O TRP A 82 1.353 -4.031 3.726 1.00 0.00 O ATOM 1204 CB TRP A 82 0.186 -2.284 5.743 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.096 -3.097 6.968 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.548 -2.974 8.153 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.088 -4.148 7.149 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.016 -3.886 9.046 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.995 -4.633 8.475 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.049 -4.725 6.299 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.827 -5.651 8.942 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.887 -5.751 6.766 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.776 -6.213 8.084 1.00 0.00 C ATOM 0 H TRP A 82 2.034 -1.482 3.495 1.00 0.00 H new ATOM 0 HA TRP A 82 2.252 -2.279 6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.111 -1.248 5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.405 -2.656 4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.346 -2.278 8.366 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.332 -3.994 10.010 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.143 -4.377 5.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.738 -6.002 9.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.622 -6.187 6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.423 -7.003 8.436 1.00 0.00 H new ATOM 1224 N CYS A 83 2.977 -4.376 5.158 1.00 0.00 N ATOM 1225 CA CYS A 83 3.345 -5.653 4.504 1.00 0.00 C ATOM 1226 C CYS A 83 2.654 -6.815 5.204 1.00 0.00 C ATOM 1227 O CYS A 83 3.016 -7.175 6.297 1.00 0.00 O ATOM 1228 CB CYS A 83 4.858 -5.845 4.613 1.00 0.00 C ATOM 1229 SG CYS A 83 5.466 -6.666 3.124 1.00 0.00 S ATOM 0 H CYS A 83 3.547 -4.122 5.965 1.00 0.00 H new ATOM 0 HA CYS A 83 3.036 -5.624 3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.350 -4.880 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.098 -6.441 5.494 1.00 0.00 H new ATOM 0 HG CYS A 83 6.569 -7.298 3.397 1.00 0.00 H new ATOM 1234 N TYR A 84 1.690 -7.434 4.585 1.00 0.00 N ATOM 1235 CA TYR A 84 1.048 -8.596 5.254 1.00 0.00 C ATOM 1236 C TYR A 84 2.080 -9.719 5.274 1.00 0.00 C ATOM 1237 O TYR A 84 1.834 -10.810 5.751 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.204 -9.037 4.484 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.130 -9.791 5.412 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.320 -11.168 5.248 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.797 -9.110 6.438 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.177 -11.865 6.107 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.654 -9.808 7.299 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.844 -11.185 7.134 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.689 -11.872 7.981 1.00 0.00 O ATOM 0 H TYR A 84 1.325 -7.192 3.664 1.00 0.00 H new ATOM 0 HA TYR A 84 0.733 -8.336 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.715 -8.167 4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.078 -9.670 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.805 -11.693 4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.651 -8.048 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.324 -12.927 5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.168 -9.283 8.091 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.070 -11.252 8.637 1.00 0.00 H new ATOM 1255 N ALA A 85 3.259 -9.430 4.780 1.00 0.00 N ATOM 1256 CA ALA A 85 4.351 -10.433 4.784 1.00 0.00 C ATOM 1257 C ALA A 85 5.250 -10.094 5.967 1.00 0.00 C ATOM 1258 O ALA A 85 5.243 -10.771 6.977 1.00 0.00 O ATOM 1259 CB ALA A 85 5.155 -10.361 3.484 1.00 0.00 C ATOM 0 H ALA A 85 3.507 -8.529 4.371 1.00 0.00 H new ATOM 0 HA ALA A 85 3.947 -11.442 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.951 -11.105 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.497 -10.560 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.590 -9.367 3.380 1.00 0.00 H new ATOM 1265 N CYS A 86 5.981 -9.006 5.885 1.00 0.00 N ATOM 1266 CA CYS A 86 6.806 -8.605 7.043 1.00 0.00 C ATOM 1267 C CYS A 86 5.815 -8.316 8.159 1.00 0.00 C ATOM 1268 O CYS A 86 6.157 -8.187 9.318 1.00 0.00 O ATOM 1269 CB CYS A 86 7.603 -7.338 6.706 1.00 0.00 C ATOM 1270 SG CYS A 86 8.584 -7.616 5.211 1.00 0.00 S ATOM 0 H CYS A 86 6.035 -8.393 5.072 1.00 0.00 H new ATOM 0 HA CYS A 86 7.523 -9.377 7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.924 -6.498 6.556 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.256 -7.075 7.538 1.00 0.00 H new ATOM 0 HG CYS A 86 8.372 -6.651 4.367 1.00 0.00 H new ATOM 1275 N GLU A 87 4.566 -8.228 7.783 1.00 0.00 N ATOM 1276 CA GLU A 87 3.482 -7.963 8.758 1.00 0.00 C ATOM 1277 C GLU A 87 3.854 -6.760 9.627 1.00 0.00 C ATOM 1278 O GLU A 87 3.957 -6.845 10.835 1.00 0.00 O ATOM 1279 CB GLU A 87 3.271 -9.225 9.599 1.00 0.00 C ATOM 1280 CG GLU A 87 1.844 -9.753 9.405 1.00 0.00 C ATOM 1281 CD GLU A 87 0.858 -8.846 10.144 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.313 -7.951 10.838 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.334 -9.062 10.003 1.00 0.00 O ATOM 0 H GLU A 87 4.251 -8.332 6.818 1.00 0.00 H new ATOM 0 HA GLU A 87 2.550 -7.722 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.993 -9.989 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.446 -9.004 10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.598 -9.786 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.768 -10.773 9.782 1.00 0.00 H new ATOM 1290 N LYS A 88 4.047 -5.628 9.005 1.00 0.00 N ATOM 1291 CA LYS A 88 4.400 -4.398 9.768 1.00 0.00 C ATOM 1292 C LYS A 88 4.028 -3.174 8.930 1.00 0.00 C ATOM 1293 O LYS A 88 3.447 -3.294 7.873 1.00 0.00 O ATOM 1294 CB LYS A 88 5.903 -4.385 10.054 1.00 0.00 C ATOM 1295 CG LYS A 88 6.659 -4.864 8.816 1.00 0.00 C ATOM 1296 CD LYS A 88 8.163 -4.664 9.020 1.00 0.00 C ATOM 1297 CE LYS A 88 8.673 -5.617 10.108 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.456 -5.002 11.447 1.00 0.00 N ATOM 0 H LYS A 88 3.975 -5.503 7.995 1.00 0.00 H new ATOM 0 HA LYS A 88 3.857 -4.380 10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.224 -3.379 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.128 -5.030 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.444 -5.917 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.325 -4.312 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.693 -4.848 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.366 -3.631 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.150 -6.571 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.733 -5.824 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.338 -5.045 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.169 -4.009 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.709 -5.522 11.951 1.00 0.00 H new ATOM 1312 N GLU A 89 4.361 -2.001 9.393 1.00 0.00 N ATOM 1313 CA GLU A 89 4.032 -0.759 8.629 1.00 0.00 C ATOM 1314 C GLU A 89 5.333 -0.143 8.110 1.00 0.00 C ATOM 1315 O GLU A 89 6.299 -0.034 8.839 1.00 0.00 O ATOM 1316 CB GLU A 89 3.323 0.229 9.570 1.00 0.00 C ATOM 1317 CG GLU A 89 2.073 0.806 8.893 1.00 0.00 C ATOM 1318 CD GLU A 89 1.108 1.325 9.961 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.574 1.680 11.032 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.082 1.356 9.690 1.00 0.00 O ATOM 0 H GLU A 89 4.851 -1.846 10.274 1.00 0.00 H new ATOM 0 HA GLU A 89 3.378 -0.989 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.044 -0.276 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.004 1.036 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.353 1.614 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.587 0.040 8.290 1.00 0.00 H new ATOM 1327 N VAL A 90 5.384 0.252 6.859 1.00 0.00 N ATOM 1328 CA VAL A 90 6.652 0.844 6.338 1.00 0.00 C ATOM 1329 C VAL A 90 6.347 2.092 5.504 1.00 0.00 C ATOM 1330 O VAL A 90 5.378 2.157 4.791 1.00 0.00 O ATOM 1331 CB VAL A 90 7.397 -0.201 5.486 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.069 -1.217 6.412 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.417 -0.935 4.558 1.00 0.00 C ATOM 0 H VAL A 90 4.617 0.191 6.190 1.00 0.00 H new ATOM 0 HA VAL A 90 7.284 1.135 7.177 1.00 0.00 H new ATOM 0 HB VAL A 90 8.145 0.307 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.598 -1.959 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.777 -0.704 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.311 -1.713 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.960 -1.670 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.659 -1.441 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.936 -0.216 3.895 1.00 0.00 H new ATOM 1343 N PHE A 91 7.181 3.088 5.601 1.00 0.00 N ATOM 1344 CA PHE A 91 6.967 4.344 4.827 1.00 0.00 C ATOM 1345 C PHE A 91 7.909 4.348 3.637 1.00 0.00 C ATOM 1346 O PHE A 91 8.820 3.549 3.556 1.00 0.00 O ATOM 1347 CB PHE A 91 7.327 5.558 5.679 1.00 0.00 C ATOM 1348 CG PHE A 91 6.416 5.650 6.882 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.492 6.698 6.981 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.501 4.693 7.901 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.654 6.788 8.099 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.661 4.784 9.018 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.739 5.831 9.117 1.00 0.00 C ATOM 0 H PHE A 91 8.013 3.086 6.191 1.00 0.00 H new ATOM 0 HA PHE A 91 5.922 4.390 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.364 5.486 6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.244 6.466 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.426 7.436 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.214 3.885 7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.942 7.596 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.725 4.045 9.803 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.092 5.901 9.979 1.00 0.00 H new